@TOME V2.3
(Mar 2018)
Ref.
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Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
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Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
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Structural Clustering:
Cluster Num
3D-Jury Struct. Score
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Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
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Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
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Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : S8F6L4_TOXGM: (2017-06-15 )
MARFCGSPPPCSPKERPDDRPSPSSPPSLSSSAPLSLRASVSPASPSSRLSFPPISDLSYYSSRSPPSSSAFSSSSCASVALLIDEEEMASPFSHAGPASHPESPSRISAILRTLVHHGWLSRKTGMGVQQSEDASEKPQTEETHPAVSSLSPPTSSACGETQAAHTDGREQRRSLLGPATKSNAVPGVSECPSLCLYESPSDGASVSLSPPGEDGAPPVSSRLPACSSSEGRRLRDFDASVPRESPPAFPFYSTHPSLLVLPCGRLATDEELCFCHTAGYVSRVESVFPSLGSSLPRKAAKAGAAKGRGVPGEKEKKALHASLPDRFKKGRRWSSHNVDTDSKSTSCHSPSAASSADSSLSAQSSASSPSSRASFPLPSSLSVVSVSETPPSPFSRLNAASADSSSNAFDCHLSTHPRSLDGTQPALFPGSCGGEGNSGHPVSRSEALCEAETVASSEVHATPLAEVTRAPGTGFGGAAAAREEEKSEKREAVFPCSSPVSLSVLSTAPSTVASLEESSDARTACDAYAASLEAEPCAVTDAKPSAALPPALAVSSSCESHLSSEVTEELGNNGPASPALPQFVNLFGGDTFICPRTPHTARLAAGAALELCDLIYGSPTVERHKETRRKRQGLRRKESKGERHAERHRERQQQGGRQERHLEGDEELKAREGETEARLASGVSDEGGRGACSGVCDGRDKQDSEREDDTPAATEEHGGEDRRDDTPAATEEHGGEDRRDGPNEQRQENKVKRGFAIIRPPGHHACSHEAAGFCIYNNVALAANYLLANHGLSRVAILDWDVHHGNGTQDLFYNSSSVLYLSVHRFEKAKPVSASHGEALHASPSPGAGAAGPSPESPRASDSPAASGAAFYPGTGSLTETGVSVGRGYTINVPLSRGYTDGDMFWVFCGVIAPALTAFRPQAILVSAGFDAAAGDPLGGCLLSPALFAWMTRQVCRLADIHCEGKALFFLEGGYQGDVLGACVEACVAALVNLSEENKPEERHRPKETADTAEDAGKGEEKPVKRRESPRGARDRGRDCVDQTVQLCQKERRSRDENEAACSRSLLSGRLGETLARLDSGILQGVEEGVELPSTEGPSACGSPPSISLPASLRVHANPPGWPPFRVLSPSSASFPSPASPLSSYALPRLLEEPVAAFCPKCRHRVRKRTSLSATSSAGEALSRGASRRASACNSDLSFFVEKRKEPKFVPEPFPPAERWVVIPPSAVDVAMRDAGDVARWAPTATAETPRRKKGRGDRKKKGEKGRSEARKSGSRNANCEERDSHEDVALRLQGIASEVETETGRATPVSVSESCLSPCSNVLLPAFPADSARFGSTLRNPCPTVRSPGALSQGHGLPAVCPQFGSRPSSPSTVLSLSPLCKVWASSPASRPTEVSSACGPLSDEVTSLCPGFRLDAIEEGSQEMTNSQLPQVLGALSASSLAATPGPQCPTSPALVCAACGVPLETAETAFPSSCPASPTLSFSSFSAAASPASFVARPRSGSVSDHVRVGKTQNDGGRQLQKSVVCRQATYDTLRLVRRVHAGSPFFLPPLPPLPKTVKTKSVEAAREQTDGDAETAEQVSLCLREGGDFRDQATDQQSLAHAQPPDSASDGTETRHSTHGVRGSRASAAPEPRPKTPDLSATPSIASPLASSCSALSSSGPPHTSTTPCGSTSSFSSSLSVSASLLPASRTLANVLPAGLLSHVRGRIVGGRARGAREESEAALQRNETIEQGQLVKLCNWGEAAFYTWVQMHSKKGEPEETDSGEDVTVTLQALETLFGRLQRPRKNSRENSGELQRKSKDENPTGSETLAVHTTRMPRQEAVPSAVLSFDPQQVLDLLRIQPDGVAISEPPSASSVASDALSPSSVSSDVATELAKFMPRCHRVFWTHAWALAEPPSTRKTNCEGGRKRCHGDEGMGEKEGESRLPRSPTEPRDASVADVDRRSRSALNSSQQSVPQGSSGEASRSSSSSASSSCRGSSGPESRGAPLAFPASSACGSRFACAVALADLAQFVRPCVMDIKMGIQMYDPSCTDAGKIQRMQEKARGRSVGSHGFFICGVSAGAVDSGTARVSEEISTEAGKSKVLESETTEDLCGGSEACDECNRGAAQDAGQVAPSSLRPFVLSSQEAYAVTQDEAFLRVFTNFFCVNNSTELAARLIRKCLGKLATLQRFFERQKQVSFYGSSLLFVFDADPAPDRLPVLRDSSDGPPALSVRRTQYAGTTQTQRPPVLQQNDRRGGGNAARRRDAHRAADVECAECGRKREAVYDAIVESFGVYMVDFAHVNFSRKQHDRGYLFGLANLQRLFARVLHSLGSSPSPAIAEAAVVSEEETRANSSESGEKKNEAEPKHDREGRP
Atome Classification :
(75 SA)
.........10........20........30........40........50........60........70........80........90........100.......110.......120.......130.......140.......150.......160.......170.......180.......190.......200.......210.......220.......230.......240.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540.......550.......560.......570.......580.......590.......600.......610.......620.......630.......640.......650.......660.......670.......680.......690.......700.......710.......720.......730.......740..-----.....750.......760.-......770.......780.....--..790.--.......800.......810.......820.......830.......840.......850.......860.......870....--.--.--.880.......890.....-.-.-900---........910.....---..920.......930.....--..940.......950.......960.......970.....--...980.......990.--.-----....---.1000--......1010......1020-.....-..1030......1040......1050......--1060......1070......1080......1090..-....1100......1110........1120......1130......1140......1150......1160......1170......1180......1190......1200--------......1210......1220......----1230......1240......1250......1260......1270......1280......1290......1300......1310......1320......1330......1340......1350......1360......1370......1380......1390......1400......1410......1420......1430......1440......1450......1460......1470......1480......1490......1500......1510......1520......1530......1540......1550......1560......1570......1580......1590......1600......1610......1620......1630......1640......1650......1660......1670......1680......1690......1700......1710......1720......1730......1740......1750......1760......1770......1780......1790......1800......1810......1820......1830......1840......1850......1860......1870......1880......1890......1900......1910......1920......1930......1940......1950......1960......1970......1980......1990......2000......2010......2020......2030......2040......2050......2060......2070......2080......2090......2100......2110......2120......2130......2140......2150......2160......2170......2180......2190......2200......2210......2220......2230......2240......2250......2260......2270......2280......2290......2300......2310......2320......2330......2340......2350......2360
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MARFCGSPPPCSPKERPDDRPSPSSPPSLSSSA
P
L
S
L
R
A
SVSPASPSSRLSFPPIS
D
L
S
Y
YSSRSPPSSSAFSSSSC
A
S
V
A
L
L
I
D
E
E
E
MASPFSHAGPASHPES
P
S
R
I
S
A
I
L
R
T
L
V
HHGWLSRKTGMGVQQSEDASEKPQTEETHPAVSSLSPPTSSACGETQAAHTD
G
R
E
Q
R
R
S
LLGPATKSNAVPG
V
S
ECPS
L
C
L
YESPSDG
A
S
V
SLSPPGEDGAPP
V
S
SRLPACSSSEG
R
R
LRDFDASVPRESPPAFPFYSTHP
S
L
L
V
L
PCGRLATDE
E
L
C
F
C
HT
A
G
Y
V
S
R
V
E
S
V
F
P
S
L
G
S
S
L
P
R
K
A
A
KAGAAKGRGVPG
E
K
E
K
K
A
L
HASL
P
D
R
F
K
KGRRWSSHNVDTDSKSTSCHSPSAASSADSSLSAQSSASSPSSRASFPLPSS
L
S
V
V
S
VSETPPS
P
F
S
RLNAASADSSS
N
A
F
D
C
HLSTHPRSLDGTQPALFPGSCGGEGNSGHPV
S
R
S
E
A
L
C
E
A
E
TVASSEVHAT
P
L
A
E
V
TRAPGTGFGGAAAA
R
E
E
E
K
S
EKREAVFPCSSP
V
S
L
S
V
LSTAP
S
T
V
A
S
L
EESSDA
R
T
A
C
D
A
Y
A
A
SLEAEPCAVTDAKPSAALPP
A
L
A
V
S
S
S
C
E
S
H
L
S
S
E
V
T
E
E
LGNNGPAS
P
A
L
P
Q
F
V
N
L
FGG
D
T
F
ICPRTP
H
T
A
R
LAA
G
A
A
L
E
L
C
D
L
IYGSP
T
V
E
R
H
K
E
T
R
R
K
R
Q
GLRRKESK
G
E
R
H
A
E
R
H
R
E
R
Q
Q
QGGRQERHLEG
D
E
E
L
KAREGE
T
E
A
R
L
ASGVSDEGGRGACSGVCDGRDKQDSEREDDTPAA
T
E
EHGGEDRRDDTPAA
T
E
EHGGEDRRDGP
N
-----
E
Q
R
Q
E
N
K
V
KR
G
F
A
IIRPPG-HHACSHEAA
G
F
C
I
YN
N
V
A
L
A
A
N
Y
L
--
L
AN-HG--L
S
R
V
A
I
L
D
W
D
VHHGNGT
Q
D
L
F
YNSS
S
V
L
Y
L
S
V
HRFEKAKPVSASHGEALHASPSPGAGAAGPSPESPRASDSPAASGAAFYPGT--G--S--LTETGVSVGR
G
Y
T
I
N
V
PLS-R-G-YT----DG
D
M
F
W
V
F
C
G
V
I
A
P
A
L
---
T
AFRP
Q
A
I
L
V
SAGFDAAAGD--PL
G
G
C
L
L
S
P
A
L
F
A
W
M
T
R
Q
V
C
R
L
ADIHCE
G
K
A
L
F
-
F
L
EGGY--QG
D
V
L
G
A
C
V
E
A
C
V
A
A
L
V
--
N
-----LSEE---NKPEE--RHRPKETADTAEDAGKGEE--KPVKR-RESPRGARDR
G
R
D
C
V
D
Q
T
V
Q
L
C
Q
K
E
RRSRDE
N
--
E
A
A
C
S
R
S
L
L
S
G
R
L
G
E
T
L
A
R
L
D
S
G
I
L
Q
G
V
E
EGVELPS-TEGPSACGSPPSISL
P
--
A
S
L
R
V
HANPPGWPP
F
R
V
LSPSSASFPSPAS
P
L
S
S
Y
A
L
P
R
L
L
E
E
P
V
A
A
F
C
P
K
C
R
H
R
V
R
K
RTSLSATSS
A
G
E
A
L
S
R
G
A
S
R
R
A
S
ACN
S
D
L
S
F
F
V
E
--------KRKEPKFVPEPFPPAE
R
W
V
V
IPP
S
A
V
----
D
V
A
M
RDAGDVARWAPTATAETPRRKKGRGDRKKKGEK
G
R
S
E
A
R
KSGSRNANCEERDSH
E
D
V
A
L
R
L
Q
G
I
A
S
E
V
ETETGRATPV
S
V
S
E
S
C
L
S
P
C
S
NVLLPAFPADSARF
G
S
T
LRNPCPTVRSPGALSQGHGLP
A
V
C
P
QFGSRPSSP
S
T
V
L
S
L
S
P
L
C
K
V
W
ASSPASRPT
E
V
SSACGP
L
S
D
E
V
T
S
LCPGFR
L
D
A
I
EE
G
S
Q
EM
T
N
S
Q
L
P
Q
V
L
G
A
L
S
A
S
SLAATPGPQCPTSP
A
L
V
C
AACGVPLETAETAFPSSCPASP
T
L
SFSSFSAAAS
P
A
S
FVARPRSGSVSD
H
V
R
VGKTQND
G
G
R
Q
L
Q
K
S
V
V
C
R
QA
T
Y
D
T
L
R
L
V
R
R
V
HAGSPFFLPPLPPLPKTVKTK
S
V
E
A
A
REQTDG
D
A
E
T
A
E
Q
V
S
L
C
L
REGGDFRDQAT
D
Q
Q
SLAHAQPPDSASDGTETRHSTHGVRGSRASAAPEPRPKTPDLSATP
S
I
A
S
P
L
A
S
S
C
S
A
LSSSGPPHTSTTPCGSTSSFSSSL
S
V
S
A
SLL
P
A
S
R
T
L
A
N
V
L
P
A
G
L
L
S
H
V
R
G
RIVGGRARGAR
E
E
S
E
A
A
L
QRNETIEQG
Q
L
V
K
LCNWG
E
A
A
F
Y
T
W
V
Q
M
HSKKGEPEETDSGE
D
V
T
V
T
L
Q
A
L
E
T
L
F
G
R
L
QRPRKNSRENS
G
E
L
QRKSKDENPTGS
E
T
L
A
V
H
TTRM
P
R
Q
E
AV
P
S
A
V
LSF
D
P
Q
Q
V
L
D
L
L
RIQPDGVAISEPPSA
S
S
V
A
SDALSPSSV
S
S
D
V
A
T
E
L
A
K
F
M
P
R
C
H
R
V
F
W
THAWALAEPPSTRKTNCEGGRKRCHGDEGMGEKEGESRLPRSPTEPRDA
S
V
A
D
V
D
R
R
S
R
S
ALN
S
S
Q
QSVPQGSSGEASRSSSSSASSSCRGSSGPESRGAPLAFPASSACGS
R
F
A
C
A
V
A
L
A
D
L
A
Q
F
V
R
P
C
V
M
D
I
K
M
G
I
Q
MYDPSCT
D
A
G
K
I
Q
R
M
Q
E
K
ARGRSVGSH
G
F
F
I
CGVSAGAVDSG
T
A
R
V
S
E
E
ISTEAGKSKVLESET
T
E
D
LCGG
S
E
A
C
D
E
CNRGAAQDAGQVAPSSLR
P
F
V
LSSQE
A
Y
A
VT
Q
D
E
A
F
L
R
V
F
T
N
F
F
CVNN
S
T
E
L
A
A
R
L
I
R
K
C
L
G
K
L
A
T
L
Q
R
F
F
E
R
Q
K
Q
V
S
FYG
S
S
L
L
F
V
FDADPAPDRLPVLRDSSDGPPA
L
S
V
R
R
T
QYAGTTQTQRPPVLQQNDRRGGG
N
A
A
R
R
RDAHRAADV
E
C
A
E
CG
R
K
R
E
A
V
Y
D
A
I
V
E
S
FG
V
Y
M
V
D
F
A
HVNFSRKQHDR
G
Y
L
F
G
L
A
N
L
Q
R
L
F
A
R
V
L
H
S
LGSSPS
P
A
I
A
E
A
AVVS
E
E
ETRANSSESGEKKNEAEPKHDREGRP
155
HHSearch
55.20
39%
-119
- C4 -
-
5JI5
4
?
A:
[93-314]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
M
N
P
H
T
W
T
A
A
L
R
A
A
G
A
A
---
V
A
A
T
-----
D
A
V
I
E
G
R
Y
D
N
A
F
C
S
V
R
P
P
G
-
H
H
A
E
P
A
R
A
M
G
F
C
F
F
N
N
V
A
I
A
A
R
H
A
--
L
E
V
-
H
K
--
L
E
R
V
A
I
I
D
F
D
V
H
H
G
N
G
T
E
A
A
F
S
N
D
A
R
V
L
M
C
S
I
F
Q
H
-------------------------------------------
P
F
Y
P
F
T
--
G
--
A
--
D
N
------
Q
A
P
N
M
C
N
V
P
I
A
-
A
-
R
-
S
K
----
G
M
V
V
R
E
A
I
D
M
I
W
L
P
R
L
---
D
A
F
K
P
Q
M
L
F
V
S
A
G
F
D
A
H
R
E
D
--
D
L
G
N
M
A
L
V
E
D
D
Y
A
W
I
T
Q
Q
I
R
L
V
A
D
K
Y
A
K
G
R
I
V
S
-
C
L
E
G
G
Y
--
N
L
S
A
L
G
R
S
V
V
A
H
V
R
A
L
A
--
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
179
Fugue
54.27
24%
25
- C2 -
-
5IKK
12
CLR3_SCHPO
A:
[24-650]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
K
K
S
G
L
C
Y
D
P
R
M
R
F
H
A
T
L
S
E
H
P
E
D
P
R
R
V
L
R
V
F
E
A
I
K
K
A
G
Y
V
S
N
V
P
S
P
S
D
V
F
L
R
I
P
A
R
E
A
T
L
E
E
L
L
Q
V
H
S
Q
E
M
Y
D
K
M
S
H
E
D
L
A
N
L
E
K
I
S
D
S
L
Y
Y
N
N
E
S
A
F
C
A
R
L
A
C
G
S
A
I
E
T
C
T
A
V
V
T
G
Q
V
K
N
A
F
A
V
V
R
P
P
G
-
H
H
A
---------
L
F
N
N
V
S
V
T
A
R
S
M
--
L
Q
R
-
F
P
DK
I
K
R
V
L
I
V
D
W
D
I
H
H
G
N
G
T
Q
M
A
F
Y
D
D
P
N
V
L
Y
V
S
L
H
R
Y
E
N
G
R
----------------------------------------
F
Y
P
G
T
NY
G
--
C
--
A
E
N
C
G
E
G
P
G
L
G
R
T
V
N
I
P
W
S
C
A
-
G
-
M
G
----
D
G
D
Y
I
Y
A
F
Q
R
V
V
M
P
V
A
---
Y
E
F
D
P
D
L
V
I
V
S
C
G
F
D
A
A
A
G
D
--
H
I
G
Q
F
L
L
T
P
A
A
Y
A
H
M
T
Q
M
L
M
G
L
A
D
----
G
K
V
F
I
-
S
L
E
G
G
Y
--
N
L
D
S
I
S
T
S
A
L
A
V
A
Q
S
L
L
--
G
-----
I
P
P
G
---
R
L
H
T
T
--
Y
A
C
P
Q
A
V
A
T
I
N
H
V
T
K
I
Q
S
Q
YW
R
C
M
R
P
-
K
H
F
D
A
N
P
K
D
A
H
V
D
R
L
H
D
V
I
R
T
Y
Q
A
K
K
L
F
E
D
W
K
I
T
N
M
P
I
L
R
D
N
N
Q
V
L
C
S
S
N
F
F
Q
K
D
N
L
L
V
I
V
H
E
S
P
R
V
L
G
N
G
T
S
E
T
N
V
L
N
L
N
D
S
L
L
V
D
P
V
S
L
Y
V
E
W
A
M
Q
Q
D
W
G
L
I
D
I
N
I
P
E
V
-
D
I
L
S
E
V
K
E
L
C
L
Y
V
W
D
N
Y
V
E
L
S
I
S
-----------
K
N
I
F
F
I
G
G
G
K
A
V
H
G
L
V
N
L
A
S
S
R
N
V
S
D
R
V
K
C
M
V
N
F
L
GTE
P
L
V
G
L
K
T
A
S
E
E
D
L
P
T
W
Y
Y
R
H
S
L
V
F
V
S
S
S
N
E
C
WKKA
K
R
A
K
R
R
Y
G
R
L
M
Q
S
E
H
T
E
T
S
D
M
M
E
Q
H
Y
R
A
V
T
Q
Y
L
L
H
L
L
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
54.26
36%
-122
- C4 -
-
1ZZ0
4
HDAH_ALCSD
D:
[133-337]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
PsiBlast_CBE
54.23
36%
-126
- C4 -
-
1ZZ1
4
HDAH_ALCSD
B:
[133-337]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
54.00
36%
-124
- C4 -
-
2VCG
5
HDAH_ALCSD
B:
[139-343]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
53.95
36%
-126
- C4 -
-
2GH6
4
HDAH_ALCSD
A:
[133-337]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
53.87
36%
-124
- C4 -
-
1ZZ3
4
HDAH_ALCSD
D:
[133-337]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
PsiBlast_CBE
53.86
36%
-124
- C4 -
-
1ZZ0
4
HDAH_ALCSD
B:
[133-337]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
181
Fugue
53.46
25%
-19
* C2 *
-
4QA5
9
HDAC8_HUMAN
A:
[14-377]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
V
P
V
Y
I
Y
S
P
E
Y
V
S
M
C
D
S
L
A
K
---
I
P
K
R
A
S
M
V
H
S
L
I
E
A
Y
-
A
L
H
K
Q
M
R
I
V
K
P
K
V
A
S
M
E
E
M
A
T
F
H
T
D
A
Y
L
Q
H
L
Q
K
V
S
Q
E
G
D
D
-------
D
H
P
D
S
I
E
Y
G
L
G
Y
D
C
P
A
---
T
E
G
I
F
D
Y
A
A
A
I
G
G
A
T
I
-
T
A
A
Q
C
L
I
D
G
---------------
M
C
K
V
A
I
N
W
S
G
G
W
H
H
A
K
K
D
E
A
S
G
F
C
Y
L
N
D
A
V
L
G
I
L
R
L
----
R
-
R
K
--
F
E
R
I
L
Y
V
D
L
D
L
H
H
G
D
G
V
E
D
T
F
S
F
T
S
K
V
M
T
V
S
L
H
K
F
------------------
S
P
G
-----------------------
F
F
P
G
T
--
G
--
D
--
V
S
D
V
G
L
G
K
G
R
Y
Y
S
V
N
V
P
I
Q
-
D
-
G
-
I
Q
----
D
E
K
Y
Y
Q
I
C
E
S
V
L
K
E
V
Y
---
Q
A
F
N
P
K
A
V
V
L
Q
L
G
A
D
T
I
A
G
D
--
P
M
C
S
F
N
M
T
P
V
G
I
G
K
C
L
K
Y
I
L
Q
W
-----
Q
L
A
T
L
I
-
L
G
G
G
G
F
--
N
L
A
N
T
A
R
C
W
T
Y
L
T
G
V
I
L
G
K
T
-----
L
S
S
E
IPD
H
E
F
F
T
--
A
Y
G
P
D
Y
V
L
E
I
T
P
S
C
R
P
D
R
N
--
E
P
H
R
I
-
Q
Q
I
L
N
Y
I
K
G
N
L
K
H
V
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
53.44
36%
-122
- C4 -
-
2VCG
7
HDAH_ALCSD
C:
[139-343]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
53.28
36%
-128
- C4 -
-
1ZZ0
4
HDAH_ALCSD
A:
[133-337]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
53.22
36%
-122
- C4 -
-
1ZZ3
4
HDAH_ALCSD
A:
[133-337]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
150
HHSearch
53.15
40%
-114
- C4 -
-
1ZZ1
4
HDAH_ALCSD
A:
[103-333]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
G
N
G
G
L
E
I
A
R
L
S
A
G
G
A
---
V
E
L
T
-----
R
R
V
A
T
G
E
L
S
A
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
H
L
------------------------------------------
C
F
P
P
D
S
--
G
--
Y
--
S
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
53.01
36%
-123
- C4 -
-
1ZZ3
4
HDAH_ALCSD
C:
[133-337]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
52.98
36%
-126
- C4 -
-
1ZZ1
4
HDAH_ALCSD
D:
[133-337]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
52.88
36%
-124
- C4 -
-
2GH6
4
HDAH_ALCSD
D:
[133-337]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
52.84
36%
-124
- C4 -
-
2GH6
4
HDAH_ALCSD
C:
[133-337]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
52.60
36%
-126
- C4 -
-
2VCG
7
HDAH_ALCSD
D:
[139-343]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
PsiBlast_CBE
52.51
36%
-124
- C4 -
-
1ZZ1
4
HDAH_ALCSD
A:
[133-337]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
52.45
36%
-125
- C4 -
-
1ZZ1
4
HDAH_ALCSD
C:
[133-337]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
Y
A
L
V
N
P
P
G
-
H
H
A
P
H
N
A
A
M
G
F
C
I
F
N
N
T
S
V
A
A
G
Y
A
--
R
A
V
-
L
G
--
M
E
R
V
A
I
L
D
W
D
V
H
H
G
N
G
T
Q
D
I
W
W
N
D
P
S
V
L
T
I
S
L
H
Q
---------------
H
L
C
F
P
P
D
S
G
Y
S
---------------------------------
T
E
R
G
A
G
N
G
H
G
Y
N
I
N
V
P
L
P
-
P
-
G
-
S
G
----
N
A
A
Y
L
H
A
M
D
Q
V
V
L
P
A
L
---
R
A
Y
R
P
Q
L
I
I
V
G
S
G
F
D
A
S
M
L
D
--
P
L
A
R
M
M
V
T
A
D
G
F
R
Q
M
A
R
R
T
I
D
C
A
A
D
I
C
D
G
R
I
V
F
-
V
Q
E
G
G
Y
--
S
P
H
Y
L
P
F
C
G
L
A
V
I
E
E
L
T
--
G
-----
V
R
S
L
---
P
D
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
153
HHSearch
51.71
35%
-57
- C4 -
-
5G0G
9
?
A:
[114-367]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
L
H
P
G
F
F
S
S
A
C
L
S
V
G
S
V
---
L
Q
L
V
-----
D
K
V
M
T
S
Q
L
R
N
G
F
S
I
N
R
P
P
G
-
H
H
A
Q
A
D
K
M
N
G
F
C
M
F
N
N
L
A
I
A
A
R
Y
A
--
Q
K
R
-
H
R
--
V
Q
R
V
L
I
V
D
W
D
V
H
H
G
Q
G
I
Q
Y
I
F
E
E
D
P
S
V
L
Y
F
S
V
H
R
Y
E
D
----------------------------------------
G
S
F
W
P
H
L
--
K
ES
D
--
S
S
S
V
G
S
G
A
G
Q
G
Y
N
I
N
L
P
W
N
K
V
-
G
-
M
E
----
S
G
D
Y
I
T
A
F
Q
Q
L
L
L
P
V
A
---
Y
E
F
Q
P
Q
L
V
L
V
A
A
G
F
D
A
V
I
G
D
--
P
K
G
G
M
Q
V
S
P
E
C
F
S
I
L
T
H
M
L
K
G
V
A
----
Q
G
R
L
V
L
-
A
L
E
G
G
Y
--
N
L
Q
S
T
A
E
G
V
C
A
S
M
R
S
L
L
--
G
-----
D
P
C
P
---
H
L
P
S
S
--
G
A
P
C
E
S
A
L
K
S
I
S
K
T
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
84
PsiBlast_CBE
51.46
34%
-113
- C4 -
-
5JI5
4
?
A:
[118-314]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
G
R
Y
D
N
A
F
C
S
V
R
P
P
G
-
H
H
A
E
P
A
R
A
M
G
F
C
F
F
N
N
V
A
I
A
A
R
H
A
--
L
E
V
-
H
K
--
L
E
R
V
A
I
I
D
F
D
V
H
H
G
N
G
T
E
A
A
F
S
N
D
A
R
V
L
M
C
S
I
F
Q
-------------------
H
P
F
Y
P
F
T
G
A
D
N
Q
A
P
N
M
C
N
V
P
I
A
A
R
S
-----
K
--
G
--
M
--
V
V
R
E
A
I
--------------------------
D
M
I
W
L
------
P
R
L
---
D
A
F
K
P
Q
M
L
F
V
S
A
G
F
D
A
H
R
E
D
--
D
L
G
N
M
A
L
V
E
D
D
Y
A
W
I
T
Q
Q
I
R
L
V
A
D
K
Y
A
K
G
R
I
V
S
-
C
L
E
G
G
Y
--
N
L
S
A
L
G
R
S
V
V
A
H
V
R
A
L
A
--
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
50.26
36%
-61
- C4 -
-
3C10
4
HDAC7_HUMAN
A:
[176-395]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
D
H
S
T
A
M
G
F
C
F
F
N
S
V
A
I
A
C
R
Q
L
--
Q
Q
Q
-
S
K
--
A
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
T
F
Y
Q
D
P
S
V
L
Y
I
S
L
H
R
H
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
V
D
E
V
G
A
G
S
G
E
G
F
N
V
N
V
A
W
A
-
G
-
G
-
L
D
PPMG
D
P
E
Y
L
A
A
F
R
I
V
V
M
P
I
A
---
R
E
F
S
P
D
L
V
L
V
S
A
G
F
D
A
A
E
G
H
PA
P
L
G
G
Y
H
V
S
A
K
C
F
G
Y
M
T
Q
Q
L
M
N
L
A
G
----
G
A
V
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
A
A
L
L
--
G
N
R
V
D
P
L
S
E
E
---
G
W
K
Q
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
49.99
34%
-60
- C4 -
-
4CBT
2
HDAC4_HUMAN
B:
[145-369]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
E
E
S
T
P
M
G
F
C
Y
F
N
S
V
A
V
A
A
K
L
L
--
Q
Q
R
-
L
S
--
V
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
A
F
Y
S
D
P
S
V
L
Y
M
S
L
H
R
Y
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
P
D
E
V
G
T
G
P
G
V
G
F
N
V
N
M
A
F
T
-
G
-
G
-
L
D
PPMG
D
A
E
Y
L
A
A
F
R
T
V
V
M
P
I
A
---
S
E
F
A
P
D
V
V
L
V
S
S
G
F
D
A
V
E
G
H
PT
P
L
G
G
Y
N
L
S
A
R
C
F
G
Y
L
T
K
Q
L
M
G
L
A
G
----
G
R
I
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
S
A
L
L
--
G
-----
N
--
D
---
P
L
P
E
K
V
L
Q
Q
R
P
N
A
N
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
49.92
33%
-36
- C4 -
-
2VQO
5
B:
[145-405]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
E
E
S
T
P
M
G
F
C
Y
F
N
S
V
A
V
A
A
K
L
L
--
Q
Q
R
-
L
S
--
V
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
A
F
Y
S
D
P
S
V
L
Y
M
S
L
H
R
Y
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
P
D
E
V
G
T
G
P
G
V
G
F
N
V
N
M
A
F
T
-
G
-
G
-
L
D
PPMG
D
A
E
Y
L
A
A
F
R
T
V
V
M
P
I
A
---
S
E
F
A
P
D
V
V
L
V
S
S
G
F
D
A
V
E
G
H
PT
P
L
G
G
Y
N
L
S
A
R
C
F
G
Y
L
T
K
Q
L
M
G
L
A
G
----
G
R
I
V
L
-
A
L
E
G
G
Y
--
D
L
T
A
I
C
D
A
S
E
A
C
V
S
A
L
L
--
G
-----
N
E
L
D
---
P
L
P
E
K
--
V
L
Q
Q
R
P
N
A
N
A
V
R
S
M
E
K
V
M
E
--
I
H
S
K
Y
W
R
C
L
Q
R
T
T
S
T
A
G
R
S
L
I
E
--
A
Q
T
C
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
49.67
34%
-68
- C4 -
-
4CBT
2
HDAC4_HUMAN
A:
[145-369]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
E
E
S
T
P
M
G
F
C
Y
F
N
S
V
A
V
A
A
K
L
L
--
Q
Q
R
-
L
S
--
V
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
A
F
Y
S
D
P
S
V
L
Y
M
S
L
H
R
Y
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
P
D
E
V
G
T
G
P
G
V
G
F
N
V
N
M
A
F
T
-
G
-
G
-
L
D
PPMG
D
A
E
Y
L
A
A
F
R
T
V
V
M
P
I
A
---
S
E
F
A
P
D
V
V
L
V
S
S
G
F
D
A
V
E
G
H
PT
P
L
G
G
Y
N
L
S
A
R
C
F
G
Y
L
T
K
Q
L
M
G
L
A
G
----
G
R
I
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
S
A
L
L
--
G
-----
N
E
L
---------L-
Q
Q
R
P
N
A
N
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
49.66
36%
-63
- C4 -
-
3C0Z
4
HDAC7_HUMAN
B:
[176-395]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
D
H
S
T
A
M
G
F
C
F
F
N
S
V
A
I
A
C
R
Q
L
--
Q
Q
Q
-
S
K
--
A
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
T
F
Y
Q
D
P
S
V
L
Y
I
S
L
H
R
H
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
V
D
E
V
G
A
G
S
G
E
G
F
N
V
N
V
A
W
A
-
G
-
G
-
L
D
PPMG
D
P
E
Y
L
A
A
F
R
I
V
V
M
P
I
A
---
R
E
F
S
P
D
L
V
L
V
S
A
G
F
D
A
A
E
G
H
PA
P
L
G
G
Y
H
V
S
A
K
C
F
G
Y
M
T
Q
Q
L
M
N
L
A
G
----
G
A
V
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
A
A
L
L
--
G
N
R
V
D
P
L
S
E
E
---
G
W
K
Q
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
49.07
36%
-61
- C4 -
-
3C0Z
4
HDAC7_HUMAN
A:
[176-395]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
D
H
S
T
A
M
G
F
C
F
F
N
S
V
A
I
A
C
R
Q
L
--
Q
Q
Q
-
S
K
--
A
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
T
F
Y
Q
D
P
S
V
L
Y
I
S
L
H
R
H
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
V
D
E
V
G
A
G
S
G
E
G
F
N
V
N
V
A
W
A
-
G
-
G
-
L
D
PPMG
D
P
E
Y
L
A
A
F
R
I
V
V
M
P
I
A
---
R
E
F
S
P
D
L
V
L
V
S
A
G
F
D
A
A
E
G
H
PA
P
L
G
G
Y
H
V
S
A
K
C
F
G
Y
M
T
Q
Q
L
M
N
L
A
G
----
G
A
V
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
A
A
L
L
--
G
N
R
V
D
P
L
S
E
E
---
G
W
K
Q
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
49.00
36%
-60
- C4 -
-
3ZNR
4
HDAC7_HUMAN
A:
[176-395]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
D
H
S
T
A
M
G
F
C
F
F
N
S
V
A
I
A
C
R
Q
L
--
Q
Q
Q
-
S
K
--
A
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
T
F
Y
Q
D
P
S
V
L
Y
I
S
L
H
R
H
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
V
D
E
V
G
A
G
S
G
E
G
F
N
V
N
V
A
W
A
-
G
-
G
-
L
D
PPMG
D
P
E
Y
L
A
A
F
R
I
V
V
M
P
I
A
---
R
E
F
S
P
D
L
V
L
V
S
A
G
F
D
A
A
E
G
H
PA
P
L
G
G
Y
H
V
S
A
K
C
F
G
Y
M
T
Q
Q
L
M
N
L
A
G
----
G
A
V
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
A
A
L
L
--
G
N
R
V
D
P
L
S
E
E
---
G
W
K
Q
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
48.98
36%
-61
- C4 -
-
3ZNS
4
C:
[176-395]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
D
H
S
T
A
M
G
F
C
F
F
N
S
V
A
I
A
C
R
Q
L
--
Q
Q
Q
-
S
K
--
A
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
T
F
Y
Q
D
P
S
V
L
Y
I
S
L
H
R
H
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
V
D
E
V
G
A
G
S
G
E
G
F
N
V
N
V
A
W
A
-
G
-
G
-
L
D
PPMG
D
P
E
Y
L
A
A
F
R
I
V
V
M
P
I
A
---
R
E
F
S
P
D
L
V
L
V
S
A
G
F
D
A
A
E
G
H
PA
P
L
G
G
Y
H
V
S
A
K
C
F
G
Y
M
T
Q
Q
L
M
N
L
A
G
----
G
A
V
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
A
A
L
L
--
G
N
R
V
D
P
L
S
E
E
---
G
W
K
Q
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
48.78
32%
-39
- C4 -
-
2VQQ
5
HDAC4_HUMAN
A:
[145-405]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
E
E
S
T
P
M
G
F
C
Y
F
N
S
V
A
V
A
A
K
L
L
--
Q
Q
R
-
L
S
--
V
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
A
F
Y
S
D
P
S
V
L
Y
M
S
L
H
R
Y
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
P
D
E
V
G
T
G
P
G
V
G
F
N
V
N
M
A
F
T
-
G
-
G
-
L
D
PPMG
D
A
E
Y
L
A
A
F
R
T
V
V
M
P
I
A
---
S
E
F
A
P
D
V
V
L
V
S
S
G
F
D
A
V
E
G
H
PT
P
L
G
G
Y
N
L
S
A
R
C
F
G
Y
L
T
K
Q
L
M
G
L
A
G
----
G
R
I
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
S
A
L
L
--
G
-----
N
E
L
D
---
P
L
P
E
K
--
V
L
Q
Q
R
P
N
A
N
A
V
R
S
M
E
K
V
M
E
--
I
H
S
K
Y
W
R
C
L
Q
R
T
T
S
T
A
G
R
S
L
I
E
--
A
Q
T
C
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
48.77
33%
-41
- C4 -
-
2VQO
5
HDAC4_HUMAN
A:
[145-405]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
E
E
S
T
P
M
G
F
C
Y
F
N
S
V
A
V
A
A
K
L
L
--
Q
Q
R
-
L
S
--
V
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
A
F
Y
S
D
P
S
V
L
Y
M
S
L
H
R
Y
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
P
D
E
V
G
T
G
P
G
V
G
F
N
V
N
M
A
F
T
-
G
-
G
-
L
D
PPMG
D
A
E
Y
L
A
A
F
R
T
V
V
M
P
I
A
---
S
E
F
A
P
D
V
V
L
V
S
S
G
F
D
A
V
E
G
H
PT
P
L
G
G
Y
N
L
S
A
R
C
F
G
Y
L
T
K
Q
L
M
G
L
A
G
----
G
R
I
V
L
-
A
L
E
G
G
Y
--
D
L
T
A
I
C
D
A
S
E
A
C
V
S
A
L
L
--
G
-----
N
E
L
D
---
P
L
P
E
K
--
V
L
Q
Q
R
P
N
A
N
A
V
R
S
M
E
K
V
M
E
--
I
H
S
K
Y
W
R
C
L
Q
R
T
T
S
T
A
G
R
S
L
I
E
--
A
Q
T
C
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
154
HHSearch
48.72
39%
-44
- C4 -
-
5G0H
9
?
A:
[496-733]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
I
S
N
E
S
Y
T
C
A
L
L
A
A
G
S
C
---
F
N
S
A
-----
Q
A
I
L
T
G
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
--
Q
S
I
T
R
E
--
S
L
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
--
E
--
D
AN
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
K
M
G
----
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
--
G
-----
D
S
P
P
---
S
L
D
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
48.50
34%
-59
- C4 -
-
5A2S
3
B:
[145-369]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
E
E
S
T
P
M
G
F
C
Y
F
N
S
V
A
V
A
A
K
L
L
--
Q
Q
R
-
L
S
--
V
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
A
F
Y
S
D
P
S
V
L
Y
M
S
L
H
R
Y
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
P
D
E
V
G
T
G
P
G
V
G
F
N
V
N
M
A
F
T
-
G
-
G
-
L
D
PPMG
D
A
E
Y
L
A
A
F
R
T
V
V
M
P
I
A
---
S
E
F
A
P
D
V
V
L
V
S
S
G
F
D
A
V
E
G
H
PT
P
L
G
G
Y
N
L
S
A
R
C
F
G
Y
L
T
K
Q
L
M
G
L
A
G
----
G
R
I
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
S
A
L
L
--
G
-----
N
E
L
D
---
P
L
P
E
K
VL
Q
Q
R
P
N
A
N
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
48.40
32%
-41
- C4 -
-
2VQQ
5
B:
[145-405]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
E
E
S
T
P
M
G
F
C
Y
F
N
S
V
A
V
A
A
K
L
L
--
Q
Q
R
-
L
S
--
V
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
A
F
Y
S
D
P
S
V
L
Y
M
S
L
H
R
Y
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
P
D
E
V
G
T
G
P
G
V
G
F
N
V
N
M
A
F
T
-
G
-
G
-
L
D
PPMG
D
A
E
Y
L
A
A
F
R
T
V
V
M
P
I
A
---
S
E
F
A
P
D
V
V
L
V
S
S
G
F
D
A
V
E
G
H
PT
P
L
G
G
Y
N
L
S
A
R
C
F
G
Y
L
T
K
Q
L
M
G
L
A
G
----
G
R
I
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
S
A
L
L
--
G
-----
N
E
L
D
---
P
L
P
E
K
--
V
L
Q
Q
R
P
N
A
N
A
V
R
S
M
E
K
V
M
E
--
I
H
S
K
Y
W
R
C
L
Q
R
T
T
S
T
A
G
R
S
L
I
E
--
A
Q
T
C
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
48.37
36%
-63
- C4 -
-
3ZNS
4
HDAC7_HUMAN
A:
[176-395]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
D
H
S
T
A
M
G
F
C
F
F
N
S
V
A
I
A
C
R
Q
L
--
Q
Q
Q
-
S
K
--
A
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
T
F
Y
Q
D
P
S
V
L
Y
I
S
L
H
R
H
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
V
D
E
V
G
A
G
S
G
E
G
F
N
V
N
V
A
W
A
-
G
-
G
-
L
D
PPMG
D
P
E
Y
L
A
A
F
R
I
V
V
M
P
I
A
---
R
E
F
S
P
D
L
V
L
V
S
A
G
F
D
A
A
E
G
H
PA
P
L
G
G
Y
H
V
S
A
K
C
F
G
Y
M
T
Q
Q
L
M
N
L
A
G
----
G
A
V
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
A
A
L
L
--
G
N
R
V
D
P
L
S
E
E
---
G
W
K
Q
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
48.26
36%
-63
- C4 -
-
3C10
4
C:
[176-395]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
D
H
S
T
A
M
G
F
C
F
F
N
S
V
A
I
A
C
R
Q
L
--
Q
Q
Q
-
S
K
--
A
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
T
F
Y
Q
D
P
S
V
L
Y
I
S
L
H
R
H
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
V
D
E
V
G
A
G
S
G
E
G
F
N
V
N
V
A
W
A
-
G
-
G
-
L
D
PPMG
D
P
E
Y
L
A
A
F
R
I
V
V
M
P
I
A
---
R
E
F
S
P
D
L
V
L
V
S
A
G
F
D
A
A
E
G
H
PA
P
L
G
G
Y
H
V
S
A
K
C
F
G
Y
M
T
Q
Q
L
M
N
L
A
G
----
G
A
V
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
A
A
L
L
--
G
N
R
V
D
P
L
S
E
E
---
G
W
K
Q
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
47.67
34%
-57
- C4 -
-
5A2S
3
HDAC4_HUMAN
A:
[145-369]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
E
E
S
T
P
M
G
F
C
Y
F
N
S
V
A
V
A
A
K
L
L
--
Q
Q
R
-
L
S
--
V
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
A
F
Y
S
D
P
S
V
L
Y
M
S
L
H
R
Y
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
P
D
E
V
G
T
G
P
G
V
G
F
N
V
N
M
A
F
T
-
G
-
G
-
L
D
PPMG
D
A
E
Y
L
A
A
F
R
T
V
V
M
P
I
A
---
S
E
F
A
P
D
V
V
L
V
S
S
G
F
D
A
V
E
G
H
PT
P
L
G
G
Y
N
L
S
A
R
C
F
G
Y
L
T
K
Q
L
M
G
L
A
G
----
G
R
I
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
S
A
L
L
--
G
-----
N
E
L
D
---
P
L
P
E
K
V
L
Q
Q
R
P
N
A
N
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
47.60
36%
-58
- C4 -
-
3ZNS
4
HDAC7_HUMAN
B:
[176-395]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
D
H
S
T
A
M
G
F
C
F
F
N
S
V
A
I
A
C
R
Q
L
--
Q
Q
Q
-
S
K
--
A
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
T
F
Y
Q
D
P
S
V
L
Y
I
S
L
H
R
H
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
V
D
E
V
G
A
G
S
G
E
G
F
N
V
N
V
A
W
A
-
G
-
G
-
L
D
PPMG
D
P
E
Y
L
A
A
F
R
I
V
V
M
P
I
A
---
R
E
F
S
P
D
L
V
L
V
S
A
G
F
D
A
A
E
G
H
PA
P
L
G
G
Y
H
V
S
A
K
C
F
G
Y
M
T
Q
Q
L
M
N
L
A
G
----
G
A
V
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
A
A
L
L
--
G
N
R
V
D
P
L
S
E
E
---
G
W
K
Q
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
47.57
36%
-63
- C4 -
-
3C10
4
HDAC7_HUMAN
B:
[176-395]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
D
H
S
T
A
M
G
F
C
F
F
N
S
V
A
I
A
C
R
Q
L
--
Q
Q
Q
-
S
K
--
A
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
T
F
Y
Q
D
P
S
V
L
Y
I
S
L
H
R
H
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
V
D
E
V
G
A
G
S
G
E
G
F
N
V
N
V
A
W
A
-
G
-
G
-
L
D
PPMG
D
P
E
Y
L
A
A
F
R
I
V
V
M
P
I
A
---
R
E
F
S
P
D
L
V
L
V
S
A
G
F
D
A
A
E
G
H
PA
P
L
G
G
Y
H
V
S
A
K
C
F
G
Y
M
T
Q
Q
L
M
N
L
A
G
----
G
A
V
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
A
A
L
L
--
G
N
R
V
D
P
L
S
E
E
---
G
W
K
Q
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
67
PsiBlast_CBE
47.39
35%
-46
- C4 -
-
5EF8
5
?
A:
[126-328]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
Q
S
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
47.25
32%
-38
- C4 -
-
2VQM
4
A:
[145-407]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
E
E
S
T
P
M
G
F
C
Y
F
N
S
V
A
V
A
A
K
L
L
--
Q
Q
R
-
L
S
--
V
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
A
F
Y
S
D
P
S
V
L
Y
M
S
L
H
R
Y
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
P
D
E
V
G
T
G
P
G
V
G
F
N
V
N
M
A
F
T
-
G
-
G
-
L
D
PPMG
D
A
E
Y
L
A
A
F
R
T
V
V
M
P
I
A
---
S
E
F
A
P
D
V
V
L
V
S
S
G
F
D
A
V
E
G
H
PT
P
L
G
G
Y
N
L
S
A
R
C
F
G
Y
L
T
K
Q
L
M
G
L
A
G
----
G
R
I
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
S
A
L
L
--
G
-----
N
E
L
D
---
P
L
P
E
K
--
V
L
Q
Q
R
P
N
A
N
A
V
R
S
M
E
K
V
M
E
--
I
H
S
K
Y
W
R
C
L
Q
R
T
T
S
T
A
G
R
S
L
I
E
--
A
Q
T
C
E
N
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
47.10
36%
-65
- C4 -
-
3C0Z
4
C:
[176-395]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
D
H
S
T
A
M
G
F
C
F
F
N
S
V
A
I
A
C
R
Q
L
--
Q
Q
Q
-
S
K
--
A
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
T
F
Y
Q
D
P
S
V
L
Y
I
S
L
H
R
H
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
V
D
E
V
G
A
G
S
G
E
G
F
N
V
N
V
A
W
A
-
G
-
G
-
L
D
PPMG
D
P
E
Y
L
A
A
F
R
I
V
V
M
P
I
A
---
R
E
F
S
P
D
L
V
L
V
S
A
G
F
D
A
A
E
G
H
PA
P
L
G
G
Y
H
V
S
A
K
C
F
G
Y
M
T
Q
Q
L
M
N
L
A
G
----
G
A
V
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
A
A
L
L
--
G
N
R
V
D
P
L
S
E
E
---
G
W
K
Q
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
46.92
35%
-46
- C4 -
-
5G0H
9
?
A:
[523-725]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
Q
S
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
46.86
32%
-37
- C4 -
-
2VQJ
6
A:
[145-407]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
E
E
S
T
P
M
G
F
C
Y
F
N
S
V
A
V
A
A
K
L
L
--
Q
Q
R
-
L
S
--
V
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
A
F
Y
S
D
P
S
V
L
Y
M
S
L
H
R
Y
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
P
D
E
V
G
T
G
P
G
V
G
F
N
V
N
M
A
F
T
-
G
-
G
-
L
D
PPMG
D
A
E
Y
L
A
A
F
R
T
V
V
M
P
I
A
---
S
E
F
A
P
D
V
V
L
V
S
S
G
F
D
A
V
E
G
H
PT
P
L
G
G
Y
N
L
S
A
R
C
F
G
Y
L
T
K
Q
L
M
G
L
A
G
----
G
R
I
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
S
A
L
L
--
G
-----
N
E
L
D
---
P
L
P
E
K
--
V
L
Q
Q
R
P
N
A
N
A
V
R
S
M
E
K
V
M
E
--
I
H
S
K
Y
W
R
C
L
Q
R
T
T
S
T
A
G
R
S
L
I
E
--
A
Q
T
C
E
N
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
46.73
33%
-39
- C4 -
-
2VQV
6
HDAC4_HUMAN
A:
[145-405]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
E
E
S
T
P
M
G
F
C
Y
F
N
S
V
A
V
A
A
K
L
L
--
Q
Q
R
-
L
S
--
V
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
A
F
Y
S
D
P
S
V
L
Y
M
S
L
H
R
Y
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
P
D
E
V
G
T
G
P
G
V
G
F
N
V
N
M
A
F
T
-
G
-
G
-
L
D
PPMG
D
A
E
Y
L
A
A
F
R
T
V
V
M
P
I
A
---
S
E
F
A
P
D
V
V
L
V
S
S
G
F
D
A
V
E
G
H
PT
P
L
G
G
Y
N
L
S
A
R
C
F
G
Y
L
T
K
Q
L
M
G
L
A
G
----
G
R
I
V
L
-
A
L
E
G
G
Y
--
D
L
T
A
I
C
D
A
S
E
A
C
V
S
A
L
L
--
G
-----
N
E
L
D
---
P
L
P
E
K
--
V
L
Q
Q
R
P
N
A
N
A
V
R
S
M
E
K
V
M
E
--
I
H
S
K
Y
W
R
C
L
Q
R
T
T
S
T
A
G
R
S
L
I
E
--
A
Q
T
C
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
46.70
33%
-40
- C4 -
-
2VQV
6
B:
[145-405]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
E
E
S
T
P
M
G
F
C
Y
F
N
S
V
A
V
A
A
K
L
L
--
Q
Q
R
-
L
S
--
V
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
A
F
Y
S
D
P
S
V
L
Y
M
S
L
H
R
Y
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
P
D
E
V
G
T
G
P
G
V
G
F
N
V
N
M
A
F
T
-
G
-
G
-
L
D
PPMG
D
A
E
Y
L
A
A
F
R
T
V
V
M
P
I
A
---
S
E
F
A
P
D
V
V
L
V
S
S
G
F
D
A
V
E
G
H
PT
P
L
G
G
Y
N
L
S
A
R
C
F
G
Y
L
T
K
Q
L
M
G
L
A
G
----
G
R
I
V
L
-
A
L
E
G
G
Y
--
D
L
T
A
I
C
D
A
S
E
A
C
V
S
A
L
L
--
G
-----
N
E
L
D
---
P
L
P
E
K
--
V
L
Q
Q
R
P
N
A
N
A
V
R
S
M
E
K
V
M
E
--
I
H
S
K
Y
W
R
C
L
Q
R
T
T
S
T
A
G
R
S
L
I
E
--
A
Q
T
C
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
46.46
34%
-62
- C4 -
-
4CBT
2
C:
[145-369]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
L
K
N
G
F
A
V
V
R
P
P
G
-
H
H
A
E
E
S
T
P
M
G
F
C
Y
F
N
S
V
A
V
A
A
K
L
L
--
Q
Q
R
-
L
----
S
K
I
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
Q
A
F
Y
S
D
P
S
V
L
Y
M
S
L
H
R
Y
D
D
G
N
----------------------------------------
F
F
P
G
S
--
G
--
A
--
P
D
E
V
G
T
G
P
G
V
G
F
N
V
N
M
A
F
T
-
G
-
G
-
L
D
PPMG
D
A
E
Y
L
A
A
F
R
T
V
V
M
P
I
A
---
S
E
F
A
P
D
V
V
L
V
S
S
G
F
D
A
V
E
G
H
PT
P
L
G
G
Y
N
L
S
A
R
C
F
G
Y
L
T
K
Q
L
M
G
L
A
G
----
G
R
I
V
L
-
A
L
E
G
G
H
--
D
L
T
A
I
C
D
A
S
E
A
C
V
S
A
L
L
--
G
-----
N
E
---------
K
VL
Q
Q
R
P
N
A
N
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
69
PsiBlast_CBE
46.42
35%
-40
- C4 -
-
5EF7
4
?
A:
[126-328]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
Q
S
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
46.23
35%
-44
- C4 -
-
5G0J
4
?
A:
[523-725]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
Q
S
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
68
PsiBlast_CBE
46.15
35%
-42
- C4 -
-
5EF7
4
?
B:
[126-330]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
QS
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
79
PsiBlast_CBE
45.62
35%
-42
- C4 -
-
5EFK
7
?
B:
[126-329]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
Q
S
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
F
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
45.57
36%
-86
- C4 -
-
5G0G
7
?
A:
[141-335]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
L
R
N
G
F
S
I
N
R
P
P
G
-
H
H
A
Q
A
D
K
M
N
G
F
C
M
F
N
N
L
A
I
A
A
R
Y
A
--
Q
K
R
-
H
R
--
V
Q
R
V
L
I
V
D
W
D
V
H
H
G
Q
G
I
Q
Y
I
F
E
E
D
P
S
V
L
Y
F
S
V
H
R
Y
E
D
G
S
----------------------
F
W
P
H
L
K
E
S
D
S
S
S
V
G
S
G
A
----------------------
G
Q
G
Y
N
I
N
L
P
W
N
-
K
V
G
-
M
E
----
S
G
D
Y
I
T
A
F
Q
Q
L
L
L
P
V
A
---
Y
E
F
Q
P
Q
L
V
L
V
A
A
G
F
D
A
V
I
G
D
--
P
K
G
G
M
Q
V
S
P
E
C
F
S
I
L
T
H
M
L
K
G
V
A
----
Q
G
R
L
V
L
-
A
L
E
G
G
Y
N
L
Q
S
T
A
E
G
V
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
74
PsiBlast_CBE
45.45
35%
-44
- C4 -
-
5EEK
20
?
A:
[126-330]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
Q
S
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
45.45
35%
-45
- C4 -
-
5EFH
8
?
A:
[126-328]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
Q
S
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
81
PsiBlast_CBE
45.15
35%
-43
- C4 -
-
5EFN
5
?
A:
[126-328]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
A
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
Q
S
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
PsiBlast_CBE
45.00
35%
-42
- C4 -
-
5EFH
6
?
D:
[126-328]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
QS
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
80
PsiBlast_CBE
44.95
35%
-42
- C4 -
-
5EFN
5
?
B:
[126-328]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
A
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
QS
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
65
PsiBlast_CBE
44.83
35%
-43
- C4 -
-
5EFB
4
?
D:
[126-330]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
QS
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
44.75
35%
-48
- C4 -
-
5EF8
6
?
B:
[126-328]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
QS
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
77
PsiBlast_CBE
44.18
35%
-76
- C4 -
-
5EEF
6
?
B:
[120-320]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
K
V
M
T
S
Q
L
R
N
G
F
S
I
N
R
P
P
G
-
H
H
A
Q
A
D
K
M
N
G
F
C
M
F
N
N
L
A
I
A
A
R
Y
A
--
Q
K
R
-
H
R
--
V
Q
R
V
L
I
V
D
W
D
V
H
H
G
Q
G
I
Q
Y
I
F
E
E
D
P
S
V
L
Y
F
S
V
H
R
Y
E
D
G
S
----------------------
F
W
P
H
L
K
E
S
D
S
S
S
V
G
S
G
A
----------------------
G
Q
G
Y
N
I
N
L
P
W
N
-
K
V
G
-
M
E
----
S
G
D
Y
I
T
A
F
Q
Q
L
L
L
P
V
A
---
Y
E
F
Q
P
Q
L
V
L
V
A
A
G
F
D
A
V
I
G
D
--
P
K
G
G
M
Q
V
S
P
E
C
F
S
I
L
T
H
M
L
K
G
V
A
----
Q
G
R
L
V
L
-
A
L
E
G
G
Y
N
L
Q
S
T
A
E
G
V
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
71
PsiBlast_CBE
43.94
35%
-44
- C4 -
-
5EEN
5
?
A:
[126-328]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
Q
S
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
78
PsiBlast_CBE
43.85
35%
-82
- C4 -
-
5EEF
5
?
A:
[120-320]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
K
V
M
T
S
Q
L
R
N
G
F
S
I
N
R
P
P
G
-
H
H
A
Q
A
D
K
M
N
G
F
C
M
F
N
N
L
A
I
A
A
R
Y
A
--
Q
K
R
-
H
R
--
V
Q
R
V
L
I
V
D
W
D
V
H
H
G
Q
G
I
Q
Y
I
F
E
E
D
P
S
V
L
Y
F
S
V
H
R
Y
E
D
G
S
----------------------
F
W
P
H
L
K
E
S
D
S
S
S
V
G
S
G
A
----------------------
G
Q
G
Y
N
I
N
L
P
W
N
-
K
V
G
-
M
E
----
S
G
D
Y
I
T
A
F
Q
Q
L
L
L
P
V
A
---
Y
E
F
Q
P
Q
L
V
L
V
A
A
G
F
D
A
V
I
G
D
--
P
K
G
G
M
Q
V
S
P
E
C
F
S
I
L
T
H
M
L
K
G
V
A
----
Q
G
R
L
V
L
-
A
L
E
G
G
Y
N
L
Q
S
T
A
E
G
V
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
70
PsiBlast_CBE
43.84
35%
-46
- C4 -
-
5EEN
4
?
B:
[126-332]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
QS
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
PsiBlast_CBE
43.81
35%
-43
- C4 -
-
5EEM
5
?
B:
[126-331]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
R
N
A
V
A
I
V
R
P
P
G
-
H
H
A
E
K
D
T
A
C
G
F
C
F
F
N
T
A
A
L
T
A
R
Y
A
QS
I
T
R
-
E
S
--
L
-
R
V
L
I
V
D
W
D
V
H
H
G
N
G
T
Q
H
I
F
E
E
D
D
S
V
L
Y
I
S
L
H
R
Y
E
D
----------------------------------------
G
A
F
F
P
N
S
ED
A
--
N
--
Y
D
K
V
G
L
G
K
G
R
G
Y
N
V
N
I
P
W
N
-
G
-
G
-
K
M
G---
D
P
E
Y
M
A
A
F
H
H
L
V
M
P
I
A
---
R
E
F
A
P
E
L
V
L
V
S
A
G
F
D
A
A
R
G
D
--
P
L
G
G
F
Q
V
T
P
E
G
Y
A
H
L
T
H
Q
L
M
S
L
A
----
A
G
R
V
L
I
-
I
L
E
G
G
Y
--
N
L
T
S
I
S
E
S
M
S
M
C
T
S
M
L
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
87
PsiBlast_CBE
40.82
32%
-76
- C4 -
-
4ZUQ
5
APHA_MYCRA
B:
[147-323]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
A
F
S
L
C
R
P
P
G
-
H
H
A
G
I
D
M
F
G
G
Y
C
F
I
N
N
A
A
V
A
A
Q
R
L
--
L
-
D
-
K
G
--
A
K
K
I
A
I
L
D
V
D
F
H
H
G
N
G
T
Q
D
I
F
Y
E
R
G
D
V
F
F
A
S
-----------------
L
H
G
D
P
A
-----------------------
E
A
F
P
H
F
L
--
G
--
Y
--
A
E
E
T
G
K
G
A
G
A
G
T
T
A
N
Y
P
M
G
-
R
-
G
-
T
P
--------
Y
S
V
W
G
E
A
L
T
D
S
L
KRI
A
A
F
G
A
E
A
I
V
V
S
L
G
V
D
T
F
E
Q
D
--
P
I
S
F
F
K
L
T
S
P
D
Y
I
T
M
G
R
T
------
I
A
A
S
G
V
P
L
L
V
V
M
E
G
G
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
91
PsiBlast_CBE
40.53
32%
-77
- C4 -
-
4ZUO
6
APHA_MYCRA
B:
[147-323]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
A
F
S
L
C
R
P
P
G
-
H
H
A
G
I
D
M
F
G
G
Y
C
F
I
N
N
A
A
V
A
A
Q
R
L
--
L
-
D
-
K
G
--
A
K
K
I
A
I
L
D
V
D
F
H
H
G
N
G
T
Q
D
I
F
Y
E
R
G
D
V
F
F
A
S
-----------------
L
H
G
D
P
A
-----------------------
E
A
F
P
H
F
L
--
G
--
Y
--
A
E
E
T
G
K
G
A
G
A
G
T
T
A
N
Y
P
M
G
-
R
-
G
-
T
P
--------
Y
S
V
W
G
E
A
L
T
D
S
L
KRI
A
A
F
G
A
E
A
I
V
V
S
L
G
V
D
T
F
E
Q
D
--
P
I
S
F
F
K
L
T
S
P
D
Y
I
T
M
G
R
T
------
I
A
A
S
G
V
P
L
L
V
V
M
E
G
G
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
90
PsiBlast_CBE
39.98
32%
-76
- C4 -
-
4ZUP
7
APHA_MYCRA
A:
[147-323]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
A
F
S
L
C
R
P
P
G
-
H
H
A
G
I
D
M
F
G
G
Y
C
F
I
N
N
A
A
V
A
A
Q
R
L
--
L
-
D
-
K
G
--
A
K
K
I
A
I
L
D
V
D
F
H
H
G
N
G
T
Q
D
I
F
Y
E
R
G
D
V
F
F
A
S
-----------------
L
H
G
D
P
A
-----------------------
E
A
F
P
H
F
L
--
G
--
Y
--
A
E
E
T
G
K
G
A
G
A
G
T
T
A
N
Y
P
M
G
-
R
-
G
-
T
P
--------
Y
S
V
W
G
E
A
L
T
D
S
L
K
R
I
A
A
F
G
A
E
A
I
V
V
S
L
G
V
D
T
F
E
Q
D
--
P
I
S
F
F
K
L
T
S
P
D
Y
I
T
M
G
R
T
------
I
A
A
S
G
V
P
L
L
V
V
M
E
G
G
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
93
PsiBlast_CBE
39.93
32%
-76
- C4 -
-
4ZUN
4
APHA_MYCRA
B:
[147-323]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
A
F
S
L
C
R
P
P
G
-
H
H
A
G
I
D
M
F
G
G
Y
C
F
I
N
N
A
A
V
A
A
Q
R
L
--
L
-
D
-
K
G
--
A
K
K
I
A
I
L
D
V
D
F
H
H
G
N
G
T
Q
D
I
F
Y
E
R
G
D
V
F
F
A
S
-----------------
L
H
G
D
P
A
-----------------------
E
A
F
P
H
F
L
--
G
--
Y
--
A
E
E
T
G
K
G
A
G
A
G
T
T
A
N
Y
P
M
G
-
R
-
G
-
T
P
--------
Y
S
V
W
G
E
A
L
T
D
S
L
KRI
A
A
F
G
A
E
A
I
V
V
S
L
G
V
D
T
F
E
Q
D
--
P
I
S
F
F
K
L
T
S
P
D
Y
I
T
M
G
R
T
------
I
A
A
S
G
V
P
L
L
V
V
M
E
G
G
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
89
PsiBlast_CBE
39.67
32%
-77
- C4 -
-
4ZUP
5
APHA_MYCRA
B:
[147-323]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
A
F
S
L
C
R
P
P
G
-
H
H
A
G
I
D
M
F
G
G
Y
C
F
I
N
N
A
A
V
A
A
Q
R
L
--
L
-
D
-
K
G
--
A
K
K
I
A
I
L
D
V
D
F
H
H
G
N
G
T
Q
D
I
F
Y
E
R
G
D
V
F
F
A
S
-----------------
L
H
G
D
P
A
-----------------------
E
A
F
P
H
F
L
--
G
--
Y
--
A
E
E
T
G
K
G
A
G
A
G
T
T
A
N
Y
P
M
G
-
R
-
G
-
T
P
--------
Y
S
V
W
G
E
A
L
T
D
S
L
KRI
A
A
F
G
A
E
A
I
V
V
S
L
G
V
D
T
F
E
Q
D
--
P
I
S
F
F
K
L
T
S
P
D
Y
I
T
M
G
R
T
------
I
A
A
S
G
V
P
L
L
V
V
M
E
G
G
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
88
PsiBlast_CBE
39.60
32%
-74
- C4 -
-
4ZUQ
5
APHA_MYCRA
A:
[147-323]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
A
F
S
L
C
R
P
P
G
-
H
H
A
G
I
D
M
F
G
G
Y
C
F
I
N
N
A
A
V
A
A
Q
R
L
--
L
-
D
-
K
G
--
A
K
K
I
A
I
L
D
V
D
F
H
H
G
N
G
T
Q
D
I
F
Y
E
R
G
D
V
F
F
A
S
-----------------
L
H
G
D
P
A
-----------------------
E
A
F
P
H
F
L
--
G
--
Y
--
A
E
E
T
G
K
G
A
G
A
G
T
T
A
N
Y
P
M
G
-
R
-
G
-
T
P
--------
Y
S
V
W
G
E
A
L
T
D
S
L
K
R
I
A
A
F
G
A
E
A
I
V
V
S
L
G
V
D
T
F
E
Q
D
--
P
I
S
F
F
K
L
T
S
P
D
Y
I
T
M
G
R
T
------
I
A
A
S
G
V
P
L
L
V
V
M
E
G
G
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
95
PsiBlast_CBE
39.56
32%
-76
- C4 -
-
4ZUM
5
APHA_MYCRA
B:
[147-323]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
A
F
S
L
C
R
P
P
G
-
H
H
A
G
I
D
M
F
G
G
Y
C
F
I
N
N
A
A
V
A
A
Q
R
L
--
L
-
D
-
K
G
--
A
K
K
I
A
I
L
D
V
D
F
H
H
G
N
G
T
Q
D
I
F
Y
E
R
G
D
V
F
F
A
S
-----------------
L
H
G
D
P
A
-----------------------
E
A
F
P
H
F
L
--
G
--
Y
--
A
E
E
T
G
K
G
A
G
A
G
T
T
A
N
Y
P
M
G
-
R
-
G
-
T
P
--------
Y
S
V
W
G
E
A
L
T
D
S
L
KRI
A
A
F
G
A
E
A
I
V
V
S
L
G
V
D
T
F
E
Q
D
--
P
I
S
F
F
K
L
T
S
P
D
Y
I
T
M
G
R
T
------
I
A
A
S
G
V
P
L
L
V
V
M
E
G
G
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
96
PsiBlast_CBE
39.38
32%
-78
- C4 -
-
4ZUM
6
APHA_MYCRA
A:
[147-323]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
A
F
S
L
C
R
P
P
G
-
H
H
A
G
I
D
M
F
G
G
Y
C
F
I
N
N
A
A
V
A
A
Q
R
L
--
L
-
D
-
K
G
--
A
K
K
I
A
I
L
D
V
D
F
H
H
G
N
G
T
Q
D
I
F
Y
E
R
G
D
V
F
F
A
S
-----------------
L
H
G
D
P
A
-----------------------
E
A
F
P
H
F
L
--
G
--
Y
--
A
E
E
T
G
K
G
A
G
A
G
T
T
A
N
Y
P
M
G
-
R
-
G
-
T
P
--------
Y
S
V
W
G
E
A
L
T
D
S
L
K
R
I
A
A
F
G
A
E
A
I
V
V
S
L
G
V
D
T
F
E
Q
D
--
P
I
S
F
F
K
L
T
S
P
D
Y
I
T
M
G
R
T
------
I
A
A
S
G
V
P
L
L
V
V
M
E
G
G
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
94
PsiBlast_CBE
38.85
32%
-76
- C4 -
-
4ZUN
5
APHA_MYCRA
A:
[147-323]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
A
F
S
L
C
R
P
P
G
-
H
H
A
G
I
D
M
F
G
G
Y
C
F
I
N
N
A
A
V
A
A
Q
R
L
--
L
-
D
-
K
G
--
A
K
K
I
A
I
L
D
V
D
F
H
H
G
N
G
T
Q
D
I
F
Y
E
R
G
D
V
F
F
A
S
-----------------
L
H
G
D
P
A
-----------------------
E
A
F
P
H
F
L
--
G
--
Y
--
A
E
E
T
G
K
G
A
G
A
G
T
T
A
N
Y
P
M
G
-
R
-
G
-
T
P
--------
Y
S
V
W
G
E
A
L
T
D
S
L
K
R
I
A
A
F
G
A
E
A
I
V
V
S
L
G
V
D
T
F
E
Q
D
--
P
I
S
F
F
K
L
T
S
P
D
Y
I
T
M
G
R
T
------
I
A
A
S
G
V
P
L
L
V
V
M
E
G
G
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
92
PsiBlast_CBE
38.32
32%
-77
- C4 -
-
4ZUO
5
APHA_MYCRA
A:
[147-323]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
A
F
S
L
C
R
P
P
G
-
H
H
A
G
I
D
M
F
G
G
Y
C
F
I
N
N
A
A
V
A
A
Q
R
L
--
L
-
D
-
K
G
--
A
K
K
I
A
I
L
D
V
D
F
H
H
G
N
G
T
Q
D
I
F
Y
E
R
G
D
V
F
F
A
S
-----------------
L
H
G
D
P
A
-----------------------
E
A
F
P
H
F
L
--
G
--
Y
--
A
E
E
T
G
K
G
A
G
A
G
T
T
A
N
Y
P
M
G
-
R
-
G
-
T
P
--------
Y
S
V
W
G
E
A
L
T
D
S
L
K
R
I
A
A
F
G
A
E
A
I
V
V
S
L
G
V
D
T
F
E
Q
D
--
P
I
S
F
F
K
L
T
S
P
D
Y
I
T
M
G
R
T
------
I
A
A
S
G
V
P
L
L
V
V
M
E
G
G
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------