@TOME V2.3
(Nov 2016)
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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 : MAST4_HUMAN: (2015-10-13 )
MGEKVSEAPEPVPRGCSGHGSRTPASALVAASSPGASSAESSSGSETLSEEGEPGGFSREHQPPPPPPLGGTLGARAPAAWAPASVLLERGVLALPPPLPGGAVPPAPRGSSASQEEQDEELDHILSPPPMPFRKCSNPDVASGPGKSLKYKRQLSEDGRQLRRGSLGGALTGRYLLPNPVAGQAWPASAETSNLVRMRSQALGQSAPSLTASLKELSLPRRGSLCRTSNRKSLIGNGQSPALPRPHSPLSAHAGNSPQDSPRNFSPSASAHFSFARSLNRTDGRRWSLASLPSSGYGTNTPSSTVSSSCSSQEKLHQLPYQPTPDELHFLSKHFCTTESIATENRCRNTPMRPRSRSLSPGRSPACCDHEIIMMNHVYKERFPKATAQMEERLKEIITSYSPDNVLPLADGVLSFTHHQIIELARDCLDKSHQGLITSRYFLELQHKLDKLLQEAHDRSESGELAFIKQLVRKILIVIARPARLLECLEFDPEEFYYLLEAAEGHAKEGQGIKTDIPRYIISQLGLNKDPLEEMAHLGNYDSGTAETPETDESVSSSNASLKLRRKPRESDFETIKLISNGAYGAVYFVRHKESRQRFAMKKINKQNLILRNQIQQAFVERDILTFAENPFVVSMYCSFETRRHLCMVMEYVEGGDCATLMKNMGPLPVDMARMYFAETVLALEYLHNYGIVHRDLKPDNLLVTSMGHIKLTDFGLSKVGLMSMTTNLYEGHIEKDAREFLDKQVCGTPEYIAPEVILRQGYGKPVDWWAMGIILYEFLVGCVPFFGDTPEELFGQVISDEINWPEKDEAPPPDAQDLITLLLRQNPLERLGTGGAYEVKQHRFFRSLDWNSLLRQKAEFIPQLESEDDTSYFDTRSEKYHHMETEEEDDTNDEDFNVEIRQFSSCSHRFSKVFSSIDRITQNSAEEKEDSVDKTKSTTLPSTETLSWSSEYSEMQQLSTSNSSDTESNRHKLSSGLLPKLAISTEGEQDEAASCPGDPHEEPGKPALPPEECAQEEPEVTTPASTISSSTLSVGSFSEHLDQINGRSECVDSTDNSSKPSSEPASHMARQRLESTEKKKISGKVTKSLSASALSLMIPGDMFAVSPLGSPMSPHSLSSDPSSSRDSSPSRDSSAASASPHQPIVIHSSGKNYGFTIRAIRVYVGDSDIYTVHHIVWNVEEGSPACQAGLKAGDLITHINGEPVHGLVHTEVIELLLKSGNKVSITTTPFENTSIKTGPARRNSYKSRMVRRSKKSKKKESLERRRSLFKKLAKQPSPLLHTSRSFSCLNRSLSSGESLPGSPTHSLSPRSPTPSYRSTPDFPSGTNSSQSSSPSSSAPNSPAGSGHIRPSTLHGLAPKLGGQRYRSGRRKSAGNIPLSPLARTPSPTPQPTSPQRSPSPLLGHSLGNSKIAQAFPSKMHSPPTIVRHIVRPKSAEPPRSPLLKRVQSEEKLSPSYGSDKKHLCSRKHSLEVTQEEVQREQSQREAPLQSLDENVCDVPPLSRARPVEQGCLKRPVSRKVGRQESVDDLDRDKLKAKVVVKKADGFPEKQESHQKSHGPGSDLENFALFKLEEREKKVYPKAVERSSTFENKASMQEAPPLGSLLKDALHKQASVRASEGAMSDGRVPAEHRQGGGDFRRAPAPGTLQDGLCHSLDRGISGKGEGTEKSSQAKELLRCEKLDSKLANIDYLRKKMSLEDKEDNLCPVLKPKMTAGSHECLPGNPVRPTGGQQEPPPASESRAFVSSTHAAQMSAVSFVPLKALTGRVDSGTEKPGLVAPESPVRKSPSEYKLEGRSVSCLKPIEGTLDIALLSGPQASKTELPSPESAQSPSPSGDVRASVPPVLPSSSGKKNDTTSARELSPSSLKMNKSYLLEPWFLPPSRGLQNSPAVSLPDPEFKRDRKGPHPTARSPGTVMESNPQQREGSSPKHQDHTTDPKLLTCLGQNLHSPDLARPRCPLPPEASPSREKPGLRESSERGPPTARSERSAARADTCREPSMELCFPETAKTSDNSKNLLSVGRTHPDFYTQTQAMEKAWAPGGKTNHKDGPGEARPPPRDNSSLHSAGIPCEKELGKVRRGVEPKPEALLARRSLQPPGIESEKSEKLSSFPSLQKDGAKEPERKEQPLQRHPSSIPPPPLTAKDLSSPAARQHCSSPSHASGREPGAKPSTAEPSSSPQDPPKPVAAHSESSSHKPRPGPDPGPPKTKHPDRSLSSQKPSVGATKGKEPATQSLGGSSREGKGHSKSGPDVFPATPGSQNKASDGIGQGEGGPSVPLHTDRAPLDAKPQPTSGGRPLEVLEKPVHLPRPGHPGPSEPADQKLSAVGEKQTLSPKHPKPSTVKDCPTLCKQTDNRQTDKSPSQPAANTDRRAEGKKCTEALYAPAEGDKLEAGLSFVHSENRLKGAERPAAGVGKGFPEARGKGPGPQKPPTEADKPNGMKRSPSATGQSSFRSTALPEKSLSCSSSFPETRAGVREASAASSDTSSAKAAGGMLELPAPSNRDHRKAQPAGEGRTHMTKSDSLPSFRVSTLPLESHHPDPNTMGGASHRDRALSVTATVGETKGKDPAPAQPPPARKQNVGRDVTKPSPAPNTDRPISLSNEKDFVVRQRRGKESLRSSPHKKAL
Atome Classification :
(50 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......2370......2380......2390......2400......2410......2420......2430......2440......2450......2460......2470......2480......2490......2500......2510......2520......2530......2540......2550......2560......2570......2580......2590......2600......2610......2620...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MGEKVSEAPEPVPRGCSGHGSRTPA
S
A
L
V
AASSPGASSAESSSGSETLSEEGEPGGFSREHQPPPPPPLGGTLGARAPAAWA
P
A
S
V
L
L
ERG
V
L
ALPPPLPGGAVPPAPRGSSAS
Q
E
E
Q
D
E
E
L
D
H
ILSPPPMPFRKCSNPDVASGPGK
S
L
K
Y
K
R
Q
L
S
E
D
G
R
Q
L
R
RGSLGGALTGRYLLPNPVAGQAWPASAE
T
S
N
L
V
R
M
R
S
Q
ALGQSA
P
S
L
T
A
S
L
K
E
LSLPRRGSLCRTSNR
K
S
LIGNGQSPALPRPHSPLSAHAGNSPQDSPRNFSPS
A
S
A
H
F
S
F
A
R
SLNRTDGRRWSLASLPSSGYGTNTPS
S
T
V
S
SSCS
S
Q
E
K
L
H
QLPYQPT
P
D
E
L
H
F
L
S
K
HFCT
T
E
S
IATENRCRNTPMRPRSRSLSPGRSPACCD
H
E
I
I
M
M
N
H
V
Y
K
E
RFP
K
A
T
A
Q
M
E
E
R
L
K
E
I
I
T
SYSPDN
V
L
P
L
A
D
G
V
L
S
F
T
H
H
Q
I
I
E
L
A
R
D
C
L
D
KSHQ
G
L
I
T
S
R
Y
F
L
E
L
Q
H
K
L
D
K
L
L
Q
E
A
HDRSESG
E
L
A
F
I
K
Q
L
V
R
K
I
L
I
V
IAR
P
A
R
L
L
E
C
L
EF
D
P
E
E
F
Y
Y
L
L
EAAEGHAKEGQGIKTD
I
P
R
Y
I
I
S
QLGLN
K
D
P
L
E
E
M
A
HLGNYDSGTAETPETDESVSSSN
A
S
L
K
L
RRKPRESDF
E
T
I
K
L
ISNG-A
Y
G
A
V
Y
F
V
RH---
K
---
E
S
R
Q
R
F
A
M
K
K
INKQ
N
L
I
-
L
-
R
N
Q
I
Q
Q
A
F
V
E
R
D
I
L
T
FA-E-N
P
F
V
V
S
M
Y
CSFE
T
R
R
-
H
L
C
M
V
M
E
Y
VEGG
D
C
A
T
L
M
K
NM-GPL
P
V
D
M
A
R
M
Y
F
A
E
T
V
L
A
L
E
Y
L
H
NYGIVHRDLKPD
N
L
L
V
T
SM-G
H
I
K
L
T
DFGLSKV
G
L
M
S
M
T
T
N
L
Y
EG
H
I
E
K
D
--------------
A
R
E
F
L
D
K
QVCGTPEYI
A
P
E
V
I
L
RQ---G----YGK
P
V
D
W
W
A
M
G
I
I
L
Y
E
F
L
V
G
C
V--PFFGD
T
P
--
E
E
L
F
G
Q
V
I
S
--DE--INWPEKDEAPPP
D
A
Q
D
L
I
T
L
L
L
RQ
N
P
L
E
RLGT--G--G
A
Y
E
V
K
Q
H
R
F
F
RS--L
D
W
N
S
L
L
R
Q
K
--
A
--
E
--
F
IPQLESEDDTSYFDTRSEKYHHMET-----EEEDDTNDEDF
N
V
E
I
R
Q
F
S
S
C
S
H
R
F
S
K
V
F
S
S
I
D
R
I
TQNSAEEKEDSVDKTKSTTLPSTETLSW
S
S
E
Y
S
E
M
Q
Q
LSTSNSSDT
E
S
N
R
H
K
LSSGLL
P
K
L
A
ISTEGEQDEAASCPGDPHEEPGKPAL
P
P
E
E
C
AQEEPEVTTPASTISSSTLSV
G
S
F
S
E
H
L
D
Q
INGRSECVDSTDNSSKPSSE
P
A
S
H
M
A
R
Q
R
L
E
S
T
E
K
KKIS
G
K
V
T
KSLSA
S
A
L
S
L
MIPG
D
M
F
A
VSPLGSPMSPHSLSSDPSSSRDSSPSRDSSAASASPHQ
P
I
V
I
HSSGKNY
G
F
T
I
R
A
I
R
V
Y
VGDS
D
I
Y
T
V
H
H
I
V
W
NVEEGS
P
A
C
Q
AGLKAG
D
L
I
T
HINGEPVH
G
L
V
H
T
E
V
I
E
L
L
L
KSG
N
K
V
S
I
T
TTPFENTSIKTGPAR
R
N
S
Y
K
S
R
M
V
R
R
S
K
KS
K
K
K
E
S
L
E
R
R
R
S
L
F
K
K
L
AKQPSPLLHTS
R
S
F
S
C
L
N
R
SLSSGESLPGSPTHSLSPRSPTPSYRSTPDFPSGTNSSQSSSPSSSAPNSPAGSGHIR
P
S
T
L
HG
L
A
P
KLG
G
Q
R
Y
RSGRRKSAGNIPLSPLARTPSPTPQPTSPQRSPSPLLGHSLGN
S
K
I
A
Q
A
F
P
S
KMHS
P
P
T
I
V
R
H
I
VRPKSAEP
P
R
S
P
L
L
K
R
V
Q
S
EEKLSPSYGS
D
K
K
H
L
C
SRKHSLEV
T
Q
E
E
V
Q
R
E
Q
S
Q
REA
P
L
Q
S
L
D
ENVCDVPPLSRAR
P
V
E
Q
G
C
L
KR
P
V
S
R
KVGRQESV
D
D
L
D
R
D
KL
K
A
K
V
V
V
K
KADGFP
E
K
Q
E
SHQKSHGPGSDL
E
N
F
A
L
F
K
L
E
E
R
EKKVY
P
K
A
VERSSTFENKASMQEAP
P
L
G
S
L
L
K
D
A
L
H
K
Q
ASVRASEGAMSDGRV
P
A
E
HRQGGGDFRRAPAPG
T
L
Q
D
G
L
C
H
S
L
D
RGISGKGEGTE
K
S
S
Q
A
K
E
L
L
R
C
E
K
L
D
S
K
L
A
N
I
D
Y
L
R
K
KMSLEDKEDNLCPVLKPKMTAGSHECLPGNPVRPTGGQQEPPPASES
R
A
F
V
SSTHAA
Q
M
S
A
V
S
F
V
P
L
K
A
L
TGRVDSGTEKPGLVAPESPVRKSPSE
Y
K
LEGR
S
V
S
C
LKPIEG
T
L
D
I
A
L
LSGPQASKTELPSPESAQSPSPSGDVRASVPPVLPSSSGKKNDTTSARELSPSSLKMNKSYLLEPWFLPPSRGLQNSPAVSLP
D
P
E
FKRDRKGPHPTARSPGTVMESNPQQREGSSPKHQDHTT
D
P
K
L
L
T
C
L
G
QNLHSPDLARPRCPLPPEASPSREKPGLRESSERGPPTARSERSAARADTCREP
S
M
ELCFPETAKTSDNSK
N
L
L
S
VGRTHP
D
F
Y
T
Q
T
Q
A
M
E
K
AWAPGGKTNHKDGPGEARPPPRDNSSLHSAGI
P
C
E
K
E
L
G
K
V
RRGVEPK
P
E
A
L
L
A
RRSLQPPGIE
S
E
K
S
E
K
L
S
SFPS
L
Q
KDGAKE
P
E
R
KEQ
P
L
Q
RHPSSIPPPPL
T
A
K
DLS
S
P
A
A
R
Q
HCSSPSHASGREPGAKPSTAEPSSSPQDPPKPVAAHSESSSHKPRPGPDPGPPKTKHPDRSLSSQKPSVGATKGKEP
A
T
Q
SLGGSSREGKGHSKSGPDVFPATPGSQNKASDGIGQGEGGPSVPLHTDRAPLDAKPQPTSGGR
P
L
E
V
L
EKPVHLPRPGHPGPSEP
A
D
Q
K
L
S
AVGEKQTLSPKHPKPS
T
V
K
D
C
P
T
L
C
KQTDNRQTDKSPSQPAANTDRRAEG
K
K
C
T
E
A
LYAPAEG
D
K
L
E
A
G
L
S
F
VHSENRLKGAERPAAGVGKGFPEARGKGPGPQKPPTEADKPNGMKRSPSATGQSSFRSTALPEKSLSCSSSFP
E
T
R
AGVREASAASSDTSSAKAAG
G
M
L
ELPAPSNRDHRKAQPAGEGRTHMTKSDSLPS
F
R
V
S
TLPLESHHPDPNTMGGASHRD
R
A
L
S
V
T
A
T
VGETKGKDPAPAQPPPA
R
K
Q
NVGRDVTKPSPAPNTDRPISLSNEK
D
F
V
V
R
Q
RR
G
K
E
S
L
RSSPHKKAL
42
PsiBlast_CBE
87.35
39%
-81
- C4 -
2ETK
1
ROCK1_HUMAN
B:
[72-380]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
-
A
F
G
E
V
Q
L
V
R
H
---
K
---
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
-
K
-
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
F
A
-
N
-
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
-
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
-
D
-
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
-
G
H
L
K
L
A
D
F
G
T
C
----
M
K
M
N
K
---
E
G
M
V
R
C
D
--------------
T
-------
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
---
G
GD
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
--
P
F
Y
A
D
S
L
--
V
G
T
Y
S
K
I
M
N
HK
N
S
--
L
T
F
P
D
-
D
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
T
D
R
E
V
-
R
L
G
R
--
N
--
G
V
E
E
I
K
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
R
D
T
V
--
A
--
P
--
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
-----
F
P
I
P
K
A
F
V
G
N
Q
L
P
F
V
G
F
T
Y
Y
S
N
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
87.33
39%
-81
- C4 -
2ESM
1
ROCK1_HUMAN
B:
[72-380]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
-
A
F
G
E
V
Q
L
V
R
H
---
K
---
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
-
K
-
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
F
A
-
N
-
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
-
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
-
D
-
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
-
G
H
L
K
L
A
D
F
G
T
C
----
M
K
M
N
K
---
E
G
M
V
R
C
D
--------------
T
-------
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
---
G
GD
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
--
P
F
Y
A
D
S
L
--
V
G
T
Y
S
K
I
M
N
HK
N
S
--
L
T
F
P
D
-
D
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
T
D
R
E
V
-
R
L
G
R
--
N
--
G
V
E
E
I
K
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
R
D
T
V
--
A
--
P
--
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
-----
F
P
I
P
K
A
F
V
G
N
Q
L
P
F
V
G
F
T
Y
Y
S
N
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
87.02
39%
-79
- C4 -
2ETR
1
ROCK1_HUMAN
B:
[72-380]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
-
A
F
G
E
V
Q
L
V
R
H
---
K
---
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
-
K
-
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
F
A
-
N
-
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
-
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
-
D
-
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
-
G
H
L
K
L
A
D
F
G
T
C
----
M
K
M
N
K
---
E
G
M
V
R
C
D
--------------
T
-------
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
---
G
GD
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
--
P
F
Y
A
D
S
L
--
V
G
T
Y
S
K
I
M
N
HK
N
S
--
L
T
F
P
D
-
D
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
T
D
R
E
V
-
R
L
G
R
--
N
--
G
V
E
E
I
K
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
R
D
T
V
--
A
--
P
--
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
-----
F
P
I
P
K
A
F
V
G
N
Q
L
P
F
V
G
F
T
Y
Y
S
N
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
86.95
39%
-85
- C4 -
2ETK
1
ROCK1_HUMAN
A:
[72-380]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
-
A
F
G
E
V
Q
L
V
R
H
---
K
---
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
-
K
-
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
F
A
-
N
-
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
-
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
-
D
-
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
-
G
H
L
K
L
A
D
F
G
T
C
----
M
K
M
N
K
---
E
G
M
V
R
C
D
--------------
T
-------
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
---
G
GDGY
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
--
P
F
Y
A
D
S
L
--
V
G
T
Y
S
K
I
M
N
HK
N
S
--
L
T
F
P
D
-
D
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
T
D
R
E
V
-
R
L
G
R
--
N
--
G
V
E
E
I
K
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
R
D
T
V
--
A
--
P
--
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
-----
F
P
I
P
K
A
F
V
G
N
Q
L
P
F
V
G
F
T
Y
Y
S
N
R
R
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
86.79
39%
-77
- C4 -
3D9V
1
ROCK1_HUMAN
B:
[72-380]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
-
A
F
G
E
V
Q
L
V
R
H
---
K
---
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
-
K
-
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
F
A
-
N
-
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
-
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
-
D
-
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
-
G
H
L
K
L
A
D
F
G
T
C
----
M
K
M
N
K
---
E
G
M
V
R
C
D
--------------
T
-------
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
---
G
GD
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
--
P
F
Y
A
D
S
L
--
V
G
T
Y
S
K
I
M
N
HK
N
S
--
L
T
F
P
D
-
D
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
T
D
R
E
V
-
R
L
G
R
--
N
--
G
V
E
E
I
K
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
R
D
T
V
--
A
--
P
--
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
-----
F
P
I
P
K
A
F
V
G
N
Q
L
P
F
V
G
F
T
Y
Y
S
N
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
86.54
39%
-83
- C4 -
3D9V
1
ROCK1_HUMAN
A:
[72-380]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
-
A
F
G
E
V
Q
L
V
R
H
---
K
---
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
-
K
-
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
F
A
-
N
-
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
-
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
-
D
-
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
-
G
H
L
K
L
A
D
F
G
T
C
----
M
K
M
N
K
---
E
G
M
V
R
C
D
--------------
T
-------
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
---
G
GDGY
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
--
P
F
Y
A
D
S
L
--
V
G
T
Y
S
K
I
M
N
HK
N
S
--
L
T
F
P
D
-
D
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
T
D
R
E
V
-
R
L
G
R
--
N
--
G
V
E
E
I
K
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
R
D
T
V
--
A
--
P
--
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
-----
F
P
I
P
K
A
F
V
G
N
Q
L
P
F
V
G
F
T
Y
Y
S
N
R
R
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
86.45
39%
-82
- C4 -
2ESM
1
ROCK1_HUMAN
A:
[72-380]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
-
A
F
G
E
V
Q
L
V
R
H
---
K
---
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
-
K
-
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
F
A
-
N
-
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
-
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
-
D
-
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
-
G
H
L
K
L
A
D
F
G
T
C
----
M
K
M
N
K
---
E
G
M
V
R
C
D
--------------
T
-------
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
---
G
GDGY
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
--
P
F
Y
A
D
S
L
--
V
G
T
Y
S
K
I
M
N
HK
N
S
--
L
T
F
P
D
-
D
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
T
D
R
E
V
-
R
L
G
R
--
N
--
G
V
E
E
I
K
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
R
D
T
V
--
A
--
P
--
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
-----
F
P
I
P
K
A
F
V
G
N
Q
L
P
F
V
G
F
T
Y
Y
S
N
R
R
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
85.94
39%
-81
- C4 -
2ETR
1
ROCK1_HUMAN
A:
[72-380]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
E
D
Y
E
V
V
K
V
I
G
R
G
-
A
F
G
E
V
Q
L
V
R
H
---
K
---
S
T
R
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
-
K
-
R
S
D
S
A
F
F
W
E
E
R
D
I
M
A
F
A
-
N
-
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
D
R
-
Y
L
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
S
N
Y
-
D
-
V
P
E
K
W
A
R
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
F
I
H
R
D
V
K
P
D
N
M
L
L
D
K
S
-
G
H
L
K
L
A
D
F
G
T
C
----
M
K
M
N
K
---
E
G
M
V
R
C
D
--------------
T
-------
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
---
G
GDGY
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
G
D
T
--
P
F
Y
A
D
S
L
--
V
G
T
Y
S
K
I
M
N
HK
N
S
--
L
T
F
P
D
-
D
N
D
I
S
K
E
A
K
N
L
I
C
A
F
L
T
D
R
E
V
-
R
L
G
R
--
N
--
G
V
E
E
I
K
R
H
L
F
F
K
N
DQ
W
A
W
E
T
L
R
D
T
V
--
A
--
P
--
V
V
P
D
L
S
S
D
I
D
T
S
N
F
D
D
L
E
E
D
K
G
E
E
E
T
-----
F
P
I
P
K
A
F
V
G
N
Q
L
P
F
V
G
F
T
Y
Y
S
N
R
R
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
84.12
38%
-79
- C4 -
2JDR
1
AKT2_HUMAN
A:
[10-300]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
D
F
D
Y
L
K
L
L
G
K
G
-
T
F
G
K
V
I
L
V
R
E
---
K
---
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
-
A
-
K
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
N
T
-
R
-
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
-
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
E
-
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
S
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
-
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
-----------------------------
K
T
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
---
D
----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
--
P
F
Y
N
Q
D
H
--
E
R
L
F
E
L
I
L
M
--
E
E
--
I
R
F
P
---
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
K
K
D
P
K
Q
R
L
G
G
--
G
PS
D
A
K
E
V
M
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
V
Q
K
K
LL
P
--
P
--
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
D
E
F
T
A
Q
S
I
T
Q
E
-----
M
F
E
D
F
D
Y
I
A
D
W
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
83.59
38%
-81
- C4 -
2UW9
1
AKT2_HUMAN
A:
[10-300]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
D
F
D
Y
L
K
L
L
G
K
G
-
T
F
G
K
V
I
L
V
R
E
---
K
---
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
-
A
-
K
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
N
T
-
R
-
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
-
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
E
-
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
S
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
-
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
-----------------------------
K
T
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
---
D
----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
--
P
F
Y
N
Q
D
H
--
E
R
L
F
E
L
I
L
M
--
E
E
--
I
R
F
P
---
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
K
K
D
P
K
Q
R
L
G
G
--
G
P
S
D
A
K
E
V
M
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
V
Q
K
K
LL
P
--
P
--
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
D
E
F
T
A
Q
S
I
T
Q
E
-----
M
F
E
D
F
D
Y
I
A
D
W
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
83.58
38%
-82
- C4 -
2X39
1
AKT2_HUMAN
A:
[10-300]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
D
F
D
Y
L
K
L
L
G
K
G
-
T
F
G
K
V
I
L
V
R
E
---
K
---
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
-
A
-
K
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
N
T
-
R
-
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
-
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
E
-
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
S
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
-
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
-----------------------------
K
T
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
---
D
----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
--
P
F
Y
N
Q
D
H
--
E
R
L
F
E
L
I
L
M
--
E
E
--
I
R
F
P
---
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
K
K
D
P
K
Q
R
L
G
G
--
G
P
S
D
A
K
E
V
M
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
V
Q
K
K
LL
P
--
P
--
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
D
E
F
T
A
Q
S
I
T
Q
E
-----
M
F
E
D
F
D
Y
I
A
D
W
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
82.91
38%
-77
- C4 -
2JDO
2
AKT2_HUMAN
A:
[10-300]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
D
F
D
Y
L
K
L
L
G
K
G
-
T
F
G
K
V
I
L
V
R
E
---
K
---
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
-
A
-
K
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
N
T
-
R
-
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
-
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
E
-
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
S
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
-
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
-----------------------------
K
T
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
---
D
----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
--
P
F
Y
N
Q
D
H
--
E
R
L
F
E
L
I
L
M
--
E
E
--
I
R
F
P
---
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
K
K
D
P
K
Q
R
L
G
G
--
G
P
S
D
A
K
E
V
M
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
V
Q
K
K
LL
P
--
P
--
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
D
E
F
T
A
Q
S
I
T
M
F
-----
E
D
F
D
Y
I
A
D
W
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
82.75
37%
-73
- C4 -
1L3R
3
KAPCA_MOUSE
E:
[43-333]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
D
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
K
---
E
S
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
A
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
T
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
82.66
37%
-71
- C4 -
2GU8
1
KAPCA_HUMAN
A:
[30-320]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
D
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
K
---
E
S
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
A
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
E
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
T
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
82.49
38%
-79
- C4 -
1O6L
1
AKT2_HUMAN
A:
[5-295]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
D
F
D
Y
L
K
L
L
G
K
G
-
T
F
G
K
V
I
L
V
R
E
---
K
---
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
-
A
-
K
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
N
T
-
R
-
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
-
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
E
-
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
S
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
-
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
-----------------------------
K
T
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
---
D
----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
--
P
F
Y
N
Q
D
H
--
E
R
L
F
E
L
I
L
M
--
E
E
--
I
R
F
P
---
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
K
K
D
P
K
Q
R
L
G
G
--
G
PS
D
A
K
E
V
M
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
V
Q
K
K
LL
P
--
P
--
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
D
E
F
T
A
Q
S
I
T
Q
E
-----
M
F
E
D
F
D
Y
I
A
D
W
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
81.67
37%
-71
- C4 -
4DFX
4
KAPCA_MOUSE
E:
[43-333]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
D
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
K
---
E
S
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
A
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
T
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
PsiBlast_CBE
81.20
36%
-67
- C4 -
2F7X
1
KAPCA_BOVIN
E:
[44-334]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
M
---
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
S
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
81.08
37%
-73
- C4 -
4O21
1
KAPCA_MOUSE
A:
[35-325]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
D
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
K
---
E
S
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
A
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
T
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
PsiBlast_CBE
80.79
36%
-72
- C4 -
2OH0
1
KAPCA_BOVIN
E:
[44-334]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
M
---
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
S
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
80.67
37%
-72
- C4 -
3TNQ
1
KAPCA_MOUSE
B:
[43-333]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
D
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
K
---
E
S
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
A
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
T
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
PsiBlast_CBE
80.61
36%
-73
- C4 -
2UZW
1
KAPCA_BOVIN
E:
[29-319]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
M
---
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
D
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
S
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
80.54
36%
-74
- C4 -
2UZT
1
KAPCA_BOVIN
A:
[29-319]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
M
---
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
D
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
S
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
PsiBlast_CBE
80.36
36%
-70
- C4 -
2F7E
1
KAPCA_BOVIN
E:
[44-334]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
M
---
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
S
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
80.32
38%
-79
- C4 -
2XH5
1
AKT2_HUMAN
A:
[10-300]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
D
F
D
Y
L
K
L
L
G
K
G
-
T
F
G
K
V
I
L
V
R
E
---
K
---
A
T
G
R
Y
Y
A
M
K
I
L
R
K
E
V
I
I
-
A
-
K
D
E
V
A
H
T
V
T
E
S
R
V
L
Q
N
T
-
R
-
H
P
F
L
T
A
L
K
Y
A
F
Q
T
H
D
-
R
L
C
F
V
M
E
Y
A
N
G
G
E
L
F
F
H
L
S
R
E
-
R
V
F
T
E
E
R
A
R
F
Y
G
A
E
I
V
S
A
L
E
Y
L
H
S
R
D
V
V
Y
R
D
I
K
L
E
N
L
M
L
D
K
D
-
G
H
I
K
I
T
D
F
G
L
C
K
E
G
I
S
D
G
A
T
M
-----------------------------
K
T
F
C
G
T
P
E
Y
L
A
P
E
V
L
E
D
N
---
D
----
Y
G
R
A
V
D
W
W
G
L
G
V
V
M
Y
E
M
M
C
G
R
L
--
P
F
Y
N
Q
D
H
--
E
R
L
F
E
L
I
L
M
--
E
E
--
I
R
F
P
---
R
T
L
S
P
E
A
K
S
L
L
A
G
L
L
K
K
D
P
K
Q
R
L
G
G
--
G
P
S
D
A
K
E
V
M
E
H
R
F
F
L
S
--
I
N
W
Q
D
V
V
Q
K
K
LL
P
--
P
--
F
K
P
Q
V
T
S
E
V
D
T
R
Y
F
D
D
E
F
T
A
Q
S
I
T
Q
E
-----
M
F
E
D
F
D
Y
I
A
D
W
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
80.09
36%
-71
- C4 -
2OJF
1
KAPCA_BOVIN
E:
[44-334]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
M
---
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
S
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
53
PsiBlast_CBE
79.99
36%
-75
- C4 -
2F7Z
1
KAPCA_BOVIN
E:
[44-334]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
M
---
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
S
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
79.40
36%
-72
- C4 -
2UZU
1
KAPCA_BOVIN
E:
[29-319]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
M
---
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
D
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
S
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
79.31
37%
-75
- C4 -
4NW6
1
KS6A3_HUMAN
A:
[30-322]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
Q
F
E
L
L
K
V
L
G
Q
G
-
S
F
G
K
V
F
L
V
K
K
I
S
G
S
---
D
A
R
Q
L
Y
A
M
K
V
L
K
K
A
T
L
K
-
V
-
R
D
R
V
R
T
K
-
M
E
R
D
I
L
V
E
V
-
N
-
H
P
F
I
V
K
L
H
Y
A
F
Q
T
E
G
-
K
L
Y
L
I
L
D
F
L
R
G
G
D
L
F
T
R
L
S
K
E
-
V
M
F
T
E
E
D
V
K
F
Y
L
A
E
L
A
L
A
L
D
H
L
H
S
L
G
I
I
Y
R
D
L
K
P
E
N
I
L
L
D
E
E
-
G
H
I
K
L
T
D
F
G
L
S
K
E
S
I
---------
D
H
-
E
K
K
--------------
A
Y
S
F
-----
C
G
T
V
E
Y
M
A
P
E
V
V
N
R
R
---
G
----
H
T
Q
S
A
D
W
W
S
F
G
V
L
M
F
E
M
L
T
G
T
L
--
P
F
Q
G
K
D
R
--
K
E
T
M
T
M
I
L
K
--
A
K
--
L
G
M
P
---
Q
F
L
S
P
E
A
Q
S
L
L
R
M
L
F
K
R
N
P
A
N
R
L
G
A
--
G
PD
G
V
E
E
I
K
R
H
S
F
F
S
T
--
I
D
W
N
K
L
Y
R
R
E
--
I
--
H
PP
F
K
P
-------
T
F
Y
F
D
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
78.78
37%
-81
- C4 -
5D9K
2
?
A:
[30-322]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
Q
F
E
L
L
K
V
L
G
Q
G
-
S
F
G
K
V
F
L
V
K
K
ISG
S
---
D
A
R
Q
L
Y
A
M
K
V
L
K
K
A
T
L
K
-
V
-
R
D
R
V
R
T
K
-
M
E
R
D
I
L
V
E
V
-
N
-
H
P
F
I
V
K
L
H
Y
A
F
Q
T
E
G
-
K
L
Y
L
I
L
D
F
L
R
G
G
D
L
F
T
R
L
S
K
E
-
V
M
F
T
E
E
D
V
K
F
Y
L
A
E
L
A
L
A
L
D
H
L
H
S
L
G
I
I
Y
R
D
L
K
P
E
N
I
L
L
D
E
E
-
G
H
I
K
L
T
D
F
G
L
S
K
-----------------------------------------
C
G
T
V
E
Y
M
A
P
E
V
V
N
R
R
---
G
----
H
T
Q
S
A
D
W
W
S
F
G
V
L
M
F
E
M
L
T
G
T
L
--
P
F
Q
G
K
D
R
--
K
E
T
M
T
M
I
L
K
--
A
K
--
L
G
M
P
---
Q
F
L
S
P
E
A
Q
S
L
L
R
M
L
F
K
R
N
P
A
N
R
L
G
A
--
G
PD
G
V
E
E
I
K
R
H
S
F
F
S
T
--
I
D
W
N
K
L
Y
R
R
E
--
I
--
H
PP
F
K
P
A
T
------
F
Y
F
D
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
63
PsiBlast_CBE
78.70
37%
-82
- C4 -
5D9K
2
?
B:
[30-322]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
Q
F
E
L
L
K
V
L
G
Q
G
-
S
F
G
K
V
F
L
V
K
K
ISG
S
---
D
A
R
Q
L
Y
A
M
K
V
L
K
K
A
T
L
K
-
V
-
R
D
R
V
R
T
K
-
M
E
R
D
I
L
V
E
V
-
N
-
H
P
F
I
V
K
L
H
Y
A
F
Q
T
E
G
-
K
L
Y
L
I
L
D
F
L
R
G
G
D
L
F
T
R
L
S
K
E
-
V
M
F
T
E
E
D
V
K
F
Y
L
A
E
L
A
L
A
L
D
H
L
H
S
L
G
I
I
Y
R
D
L
K
P
E
N
I
L
L
D
E
E
-
G
H
I
K
L
T
D
F
G
L
S
K
E
----------------------------------------
C
G
T
V
E
Y
M
A
P
E
V
V
N
R
R
---
G
----
H
T
Q
S
A
D
W
W
S
F
G
V
L
M
F
E
M
L
T
G
T
L
--
P
F
Q
G
K
D
R
--
K
E
T
M
T
M
I
L
K
--
A
K
--
L
G
M
P
---
Q
F
L
S
P
E
A
Q
S
L
L
R
M
L
F
K
R
N
P
A
N
R
L
G
A
--
G
PD
G
V
E
E
I
K
R
H
S
F
F
S
T
--
I
D
W
N
K
L
Y
R
R
E
--
I
--
H
PP
F
K
P
-------
T
F
Y
F
D
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
PsiBlast_CBE
78.38
37%
-62
- C4 -
4Q9Z
1
B:
[1-292]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
L
K
I
E
D
F
E
L
H
K
M
L
G
K
G
-
S
F
G
K
V
F
L
A
E
F
---
K
---
K
T
N
Q
F
F
A
I
K
A
L
K
K
D
V
V
L
-
M
-
D
D
D
V
E
C
T
M
V
E
K
R
V
L
S
L
A
W
E
-
H
P
F
L
T
H
M
F
C
T
F
Q
T
K
E
-
N
L
F
F
V
M
E
Y
L
N
G
G
D
L
M
Y
H
I
Q
S
C
-
H
K
F
D
L
S
R
A
T
F
Y
A
A
E
I
I
L
G
L
Q
F
L
H
S
K
G
I
V
Y
R
D
L
K
L
D
N
I
L
L
D
K
D
-
G
H
I
K
I
A
D
F
G
M
C
K
E
N
M
L
G
------------
D
--------------
A
K
T
---
N
E
F
C
G
T
P
D
Y
I
A
P
E
I
L
L
G
Q
---
K
----
Y
N
H
S
V
D
W
W
S
F
G
V
L
L
Y
E
M
L
I
G
Q
S
--
P
F
H
G
Q
D
E
--
E
E
L
F
H
S
I
R
M
--
D
N
--
P
F
Y
P
R
W
L
E
K
---
E
A
K
D
L
L
V
K
L
F
V
R
E
P
E
K
R
L
G
V
--
R
--
G
--
D
I
R
Q
H
P
L
F
R
E
--
I
N
W
E
E
L
E
R
K
E
--
I
--
D
PP
F
R
P
K
V
K
S
P
F
D
C
S
N
F
D
K
N
M
F
R
N
F
S
F
M
N
-----
P
G
M
E
R
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
78.35
37%
-73
- C4 -
4NTT
1
KAPCA_MOUSE
A:
[43-333]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
D
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
K
---
E
S
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
A
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
T
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
60
PsiBlast_CBE
78.19
35%
-64
- C4 -
4LQS
1
CBK1_YEAST
A:
[103-454]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
F
H
T
V
K
V
I
G
K
G
-
A
F
G
E
V
R
L
V
Q
K
---
K
---
D
T
G
K
I
Y
A
M
K
T
L
L
K
S
E
M
Y
-
K
-
K
---------------
S
-
D
-
S
P
W
V
V
S
L
Y
Y
S
F
Q
D
A
Q
-
Y
L
Y
L
I
M
E
F
L
P
G
G
D
L
M
T
M
L
I
R
W
-
Q
L
F
T
E
D
V
T
R
F
Y
M
A
E
C
I
L
A
I
E
T
I
H
K
L
G
F
I
H
R
A
I
K
P
D
N
I
L
I
D
I
R
-
G
H
I
K
L
S
D
F
G
L
S
T
G
F
H
K
T
H
D
S
N
Y
--------NRQQ
I
Q
T
W
R
K----
S
R
R
L
M
A
Y
S
T
V
G
T
P
D
Y
I
A
P
E
I
F
L
Y
Q
---
G
----
Y
G
Q
E
C
D
W
W
S
L
G
A
I
M
Y
E
C
L
I
G
W
P
--
P
F
C
S
E
T
P
--
Q
E
T
Y
R
K
I
M
N
--
F
E
QT
L
Q
F
P
D
-
D
I
H
I
S
Y
E
A
E
D
L
I
R
R
L
L
T
H
A
D
-
Q
R
L
G
R
H-
G
--
G
A
D
E
I
K
S
H
P
F
F
R
G
--
V
D
W
N
T
I
R
Q
V
E
--
A
--
P
--
Y
I
P
K
L
S
S
I
T
D
T
R
F
F
P
T
D
E
L
E
N
V
P
D
S
P
-----
A
M
I
G
Y
T
Y
S
R
F
D
Y
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
PsiBlast_CBE
77.96
35%
-65
- C4 -
4LQQ
1
CBK1_YEAST
A:
[103-454]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
F
H
T
V
K
V
I
G
K
G
-
A
F
G
E
V
R
L
V
Q
K
---
K
---
D
T
G
K
I
Y
A
M
K
T
L
L
K
S
E
M
Y
-
K
-
K
---------------
S
-
D
-
S
P
W
V
V
S
L
Y
Y
S
F
Q
D
A
Q
-
Y
L
Y
L
I
M
E
F
L
P
G
G
D
L
M
T
M
L
I
R
W
-
Q
L
F
T
E
D
V
T
R
F
Y
M
A
E
C
I
L
A
I
E
T
I
H
K
L
G
F
I
H
R
A
I
K
P
D
N
I
L
I
D
I
R
-
G
H
I
K
L
S
D
F
G
L
S
T
G
F
H
K
T
H
D
S
N
Y
--------L
T
M
S
N
RQQ
I
Q
T
W
R
K
S
R
R
L
M
A
Y
S
T
V
G
T
P
D
Y
I
A
P
E
I
F
L
Y
Q
---
G
----
Y
G
Q
E
C
D
W
W
S
L
G
A
I
M
Y
E
C
L
I
G
W
P
--
P
F
C
S
E
T
P
--
Q
E
T
Y
R
K
I
M
N
--
F
E
QT
L
Q
F
P
D
-
D
I
H
I
S
Y
E
A
E
D
L
I
R
R
L
L
T
H
A
D
-
Q
R
L
G
R
H-
G
--
G
A
D
E
I
K
S
H
P
F
F
R
G
--
V
D
W
N
T
I
R
Q
V
E
--
A
--
P
--
Y
I
P
K
L
S
S
I
T
D
T
R
F
F
P
T
D
E
L
E
N
V
P
D
S
P
-----
A
M
I
G
Y
E
Y
S
R
F
D
Y
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
67
PsiBlast_CBE
77.80
37%
-76
- C4 -
4NW5
1
KS6A3_HUMAN
A:
[30-322]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
Q
F
E
L
L
K
V
L
G
Q
G
-
S
F
G
K
V
F
L
V
K
K
ISG
S
---
D
A
R
Q
L
Y
A
M
K
V
L
K
K
A
T
L
K
-
V
-
R
D
R
V
R
T
K
-
M
E
R
D
I
L
V
E
V
-
N
-
H
P
F
I
V
K
L
H
Y
A
F
Q
T
E
G
-
K
L
Y
L
I
L
D
F
L
R
G
G
D
L
F
T
R
L
S
K
E
-
V
M
F
T
E
E
D
V
K
F
Y
L
A
E
L
A
L
A
L
D
H
L
H
S
L
G
I
I
Y
R
D
L
K
P
E
N
I
L
L
D
E
E
-
G
H
I
K
L
T
D
F
G
L
S
K
E
S
I
---------
D
H
-
E
K
K
--------------
A
Y
S
F
-----
C
G
T
V
E
Y
M
A
P
E
V
V
N
R
R
---
G
----
H
T
Q
S
A
D
W
W
S
F
G
V
L
M
F
E
M
L
T
G
T
L
--
P
F
Q
G
K
D
R
--
K
E
T
M
T
M
I
L
K
--
A
K
--
L
G
M
P
---
Q
F
L
S
P
E
A
Q
S
L
L
R
M
L
F
K
R
N
P
A
N
R
L
G
A
--
G
PD
G
V
E
E
I
K
R
H
S
F
F
S
T
--
I
D
W
N
K
L
Y
R
R
E
--
I
--
H
PP
F
K
P
-------
T
F
Y
F
D
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
PsiBlast_CBE
77.20
36%
-68
- C4 -
2UZV
1
KAPCA_BOVIN
A:
[29-319]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
M
---
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
D
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
S
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
72
PsiBlast_CBE
77.16
32%
-80
- C4 -
3WF9
2
KS6B1_HUMAN
A:
[15-302]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
I
R
P
E
C
F
E
L
L
R
V
L
G
K
G
-
G
Y
G
K
V
F
Q
V
R
K
---
V
TGA
N
T
G
K
I
F
A
M
K
V
L
K
K
A
M
I
V
-
R
N
A
K
D
T
A
H
T
K
A
E
R
N
I
L
E
E
V
-
K
-
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
-
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
E
R
E
-
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
Q
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
-
G
H
V
K
L
T
D
F
G
L
C
K
E
S
I
H
D
G
T
V
T
H
T
-----------------------------
F
C
G
T
I
E
Y
M
A
P
E
I
L
M
R
S
---
G
----
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
--
P
F
T
G
E
N
R
--
K
K
T
I
D
K
I
L
K
--
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
K
R
N
A
A
S
R
L
G
A
GP
G
--
D
A
G
E
V
Q
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
EP
P
--
F
K
P
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
68
PsiBlast_CBE
76.99
37%
-77
- C4 -
4NUS
1
KS6A3_HUMAN
A:
[30-322]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
Q
F
E
L
L
K
V
L
G
Q
G
-
S
F
G
K
V
F
L
V
K
K
ISG
S
---
D
A
R
Q
L
Y
A
M
K
V
L
K
K
A
T
L
K
-
V
-
R
D
R
V
R
T
K
-
M
E
R
D
I
L
V
E
V
-
N
-
H
P
F
I
V
K
L
H
Y
A
F
Q
T
E
G
-
K
L
Y
L
I
L
D
F
L
R
G
G
D
L
F
T
R
L
S
K
E
-
V
M
F
T
E
E
D
V
K
F
Y
L
A
E
L
A
L
A
L
D
H
L
H
S
L
G
I
I
Y
R
D
L
K
P
E
N
I
L
L
D
E
E
-
G
H
I
K
L
T
D
F
G
L
S
K
E
S
I
---------
D
H
-
E
K
K
--------------
A
Y
S
F
-----
C
G
T
V
E
Y
M
A
P
E
V
V
N
R
R
---
G
----
H
T
Q
S
A
D
W
W
S
F
G
V
L
M
F
E
M
L
T
G
T
L
--
P
F
Q
G
K
D
R
--
K
E
T
M
T
M
I
L
K
--
A
K
--
L
G
M
P
---
Q
F
L
S
P
E
A
Q
S
L
L
R
M
L
F
K
R
N
P
A
N
R
L
G
A
--
G
PD
G
V
E
E
I
K
R
H
S
F
F
S
T
--
I
D
W
N
K
L
Y
R
R
E
--
I
--
H
PP
F
K
P
A
T
------
F
Y
F
D
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
74
PsiBlast_CBE
76.95
32%
-79
- C4 -
3WF6
1
KS6B1_HUMAN
A:
[15-304]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
I
R
P
E
C
F
E
L
L
R
V
L
G
K
G
-
G
Y
G
K
V
F
Q
V
R
K
---
V
TGA
N
T
G
K
I
F
A
M
K
V
L
K
K
-------------
T
K
A
E
R
N
I
L
E
E
V
-
K
-
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
-
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
E
R
E
-
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
Q
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
-
G
H
V
K
L
T
D
F
G
L
C
K
E
S
I
H
D
G
T
V
T
H
T
-----------------------------
F
C
G
T
I
E
Y
M
A
P
E
I
L
M
R
S
---
G
----
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
--
P
F
T
G
E
N
R
--
K
K
T
I
D
K
I
L
K
--
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
K
R
N
A
A
S
R
L
G
A
GP
G
--
D
A
G
E
V
Q
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
EP
P
--
F
K
P
L
L
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
73
PsiBlast_CBE
76.67
32%
-80
- C4 -
3WF8
2
KS6B1_HUMAN
A:
[15-302]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
I
R
P
E
C
F
E
L
L
R
V
L
G
K
G
-
G
Y
G
K
V
F
Q
V
R
K
---
V
TGA
N
T
G
K
I
F
A
M
K
V
L
K
K
A
M
I
V
-
R
N
A
K
D
T
A
H
T
K
A
E
R
N
I
L
E
E
V
-
K
-
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
-
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
E
R
E
-
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
Q
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
-
G
H
V
K
L
T
D
F
G
L
C
K
E
S
I
H
D
G
T
V
T
H
T
-----------------------------
F
C
G
T
I
E
Y
M
A
P
E
I
L
M
R
S
---
G
----
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
--
P
F
T
G
E
N
R
--
K
K
T
I
D
K
I
L
K
--
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
K
R
N
A
A
S
R
L
G
A
GP
G
--
D
A
G
E
V
Q
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
EP
P
--
F
K
P
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
76.30
37%
-65
- C4 -
3PVB
1
KAPCA_MOUSE
A:
[38-328]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
D
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
K
---
E
S
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
A
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
A
P
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
T
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
65
PsiBlast_CBE
76.20
37%
-77
- C4 -
5D9L
2
?
A:
[30-322]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
Q
F
E
L
L
K
V
L
G
Q
G
-
S
F
G
K
V
F
L
V
K
K
I
S
G
S
---
D
A
R
Q
L
Y
A
M
K
V
L
K
K
A
T
L
K
-
V
-
R
D
R
V
R
T
K
-
M
E
R
D
I
L
V
E
V
-
N
-
H
P
F
I
V
K
L
H
Y
A
F
Q
T
E
G
-
K
L
Y
L
I
L
D
F
L
R
G
G
D
L
F
T
R
L
S
K
E
-
V
M
F
T
E
E
D
V
K
F
Y
L
A
E
L
A
L
A
L
D
H
L
H
S
L
G
I
I
Y
R
D
L
K
P
E
N
I
L
L
D
E
E
-
G
H
I
K
L
T
D
F
G
L
S
K
E
-----------------------------------------
G
T
V
E
Y
M
A
P
E
V
V
N
R
R
---
G
----
H
T
Q
S
A
D
W
W
S
F
G
V
L
M
F
E
M
L
T
G
T
L
--
P
F
Q
G
K
D
R
--
K
E
T
M
T
M
I
L
K
--
A
K
--
L
G
M
P
---
Q
F
L
S
P
E
A
Q
S
L
L
R
M
L
F
K
R
N
P
A
N
R
L
G
A
--
G
PD
G
V
E
E
I
K
R
H
S
F
F
S
T
--
I
D
W
N
K
L
Y
R
R
E
--
I
--
H
PP
F
K
P
A
T
G
R
P
E
D
T
F
Y
F
D
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
69
PsiBlast_CBE
75.68
33%
-78
* C4 *
3A61
1
KS6B1_HUMAN
A:
[15-299]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
P
E
C
F
E
L
L
R
V
L
G
K
G
-
G
Y
G
K
V
F
Q
V
R
K
---
V
T
GA
N
T
G
K
I
F
A
M
K
V
L
K
----------------
A
E
R
N
I
L
E
E
V
-
K
-
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
-
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
E
R
E
-
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
Q
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
-
G
H
V
K
L
T
D
F
G
---------------------------------------------
G
T
I
E
Y
M
A
P
E
I
L
M
R
S
---
G
----
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
--
P
F
T
G
E
N
R
--
K
K
T
I
D
K
I
L
K
--
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
K
R
N
A
A
S
R
L
G
A
GP
G
--
D
A
G
E
V
Q
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
EP
P
--
F
K
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
75
PsiBlast_CBE
75.38
32%
-75
- C4 -
3WF5
1
KS6B1_HUMAN
A:
[15-304]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
I
R
P
E
C
F
E
L
L
R
V
L
G
K
G
-
G
Y
G
K
V
F
Q
V
R
K
---
V
TGA
N
T
G
K
I
F
A
M
K
V
L
K
K
-------------
T
K
A
E
R
N
I
L
E
E
V
-
K
-
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
-
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
E
R
E
-
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
Q
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
-
G
H
V
K
L
T
D
F
G
L
C
K
E
S
I
H
D
G
T
V
T
H
T
-----------------------------
F
C
G
T
I
E
Y
M
A
P
E
I
L
M
R
S
---
G
----
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
--
P
F
T
G
E
N
R
--
K
K
T
I
D
K
I
L
K
--
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
K
R
N
A
A
S
R
L
G
A
GP
G
--
D
A
G
E
V
Q
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
EP
P
--
F
K
P
L
L
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
71
PsiBlast_CBE
75.23
33%
-73
- C4 -
3A60
1
KS6B1_HUMAN
A:
[13-299]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
I
R
P
E
C
F
E
L
L
R
V
L
G
K
G
-
G
Y
G
K
V
F
Q
V
R
K
---
V
T
GA
N
T
G
K
I
F
A
M
K
V
L
K
K
A
M
------------
K
A
E
R
N
I
L
E
E
V
-
K
-
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
-
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
E
R
E
-
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
Q
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
-
G
H
V
K
L
T
D
F
G
L
C
K
E
------------------------------------------
T
I
E
Y
M
A
P
E
I
L
M
R
S
---
G
----
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
--
P
F
T
G
E
N
R
--
K
K
T
I
D
K
I
L
K
--
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
K
R
N
A
A
S
R
L
G
A
GP
G
--
D
A
G
E
V
Q
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
EP
P
--
F
K
P
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
62
PsiBlast_CBE
74.84
35%
-63
- C4 -
4LQP
1
CBK1_YEAST
A:
[103-454]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
F
H
T
V
K
V
I
G
K
G
-
A
F
G
E
V
R
L
V
Q
K
---
K
---
D
T
G
K
I
Y
A
M
K
T
L
L
K
S
E
M
Y
-
K
-
K
------------
L
A
G
S
-
D
-
S
P
W
V
V
S
L
Y
Y
S
F
Q
D
A
Q
-
Y
L
Y
L
I
M
E
F
L
P
G
G
D
L
M
T
M
L
I
R
W
-
Q
L
F
T
E
D
V
T
R
F
Y
M
A
E
C
I
L
A
I
E
T
I
H
K
L
G
F
I
H
R
A
I
K
P
D
N
I
L
I
D
I
R
-
G
H
I
K
L
S
D
F
G
L
S
T
G
F
H
K
T
H
D
S
N
Y
--------QTWRK---------
S
R
R
L
M
A
Y
S
T
V
G
T
P
D
Y
I
A
P
E
I
F
L
Y
Q
---
G
----
Y
G
Q
E
C
D
W
W
S
L
G
A
I
M
Y
E
C
L
I
G
W
P
--
P
F
C
S
E
T
P
--
Q
E
T
Y
R
K
I
M
N
--
F
E
QT
L
Q
F
P
D
-
D
I
H
I
S
Y
E
A
E
D
L
I
R
R
L
L
T
H
A
D
-
Q
R
L
G
R
H-
G
--
G
A
D
E
I
K
S
H
P
F
F
R
G
--
V
D
W
N
T
I
R
Q
V
E
--
A
--
P
--
Y
I
P
K
L
S
S
I
T
D
T
R
F
F
P
T
D
E
L
E
N
V
P
D
S
P
-----
A
M
F
I
G
Y
E
Y
S
R
F
D
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
70
PsiBlast_CBE
69.35
33%
-65
- C4 -
3A60
1
KS6B1_HUMAN
B:
[13-300]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
I
R
P
E
C
F
E
L
L
R
V
L
G
K
G
-
G
Y
G
K
V
F
Q
V
R
K
---
V
TGA
N
T
G
K
I
F
A
M
K
V
L
K
K
-------------------------
K
-
H
P
F
I
V
D
L
I
Y
A
F
Q
T
G
G
-
K
L
Y
L
I
L
E
Y
L
S
G
G
E
L
F
M
Q
L
E
R
E
-
G
I
F
M
E
D
T
A
C
F
Y
L
A
E
I
S
M
A
L
G
H
L
H
Q
K
G
I
I
Y
R
D
L
K
P
E
N
I
M
L
N
H
Q
-
G
H
V
K
L
T
D
F
G
L
C
K
E
S
---------------------------------------
C
G
T
I
E
Y
M
A
P
E
I
L
M
R
S
---
G
----
H
N
R
A
V
D
W
W
S
L
G
A
L
M
Y
D
M
L
T
G
A
P
--
P
F
T
G
E
N
R
--
K
K
T
I
D
K
I
L
K
--
C
K
--
L
N
L
P
P
Y
---
L
T
Q
E
A
R
D
L
L
K
K
L
L
K
R
N
A
A
S
R
L
G
A
GP
G
--
D
A
G
E
V
Q
A
H
P
F
F
R
H
--
I
N
W
E
E
L
L
A
R
K
--
V
EP
P
--
F
K
P
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
84
Fugue
68.12
31%
-47
- C4 -
1CDK
2
KAPCA_PIG
A:
[8-350]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
G
S
E
Q
E
S
V
K
E
F
L
A
K
A
K
E
D
F
L
K
K
W
E
N
P
A
Q
N
T
A
------
H
-
L
D
Q
F
E
R
I
K
T
L
G
T
-G
S
F
G
R
V
M
L
V
K
H
---
K
---
E
T
G
N
H
F
A
M
K
I
L
D
K
Q
K
V
V
K
--
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
--N
F
P
F
L
V
K
L
E
Y
S
F
K
D
N
-S
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
-
I
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
-Q
G
Y
I
Q
V
T
D
F
G
F
A
K
R
--------
V
-
K
--
G
--
R
--------------
T
-----
W
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
-KGY------
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
--YP
P
F
F
A
D
--
Q
P
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
---------------------------------------------------
H
F
S
S
D
L
--
K
--
D
--
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
L
K
D
G
V
N
D
I
K
N
HKWFA------
T
T
D
W
I
A
I
Y
Q
R
K
V
E
A
P
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
--------
N
E
K
C
G
K
E
F
S
E
F
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
47.15
37%
-9
- C4 -
4WB8
2
KAPCA_HUMAN
A:
[30-320]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
K
---
E
T
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
P
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
S
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
44.70
37%
-5
- C4 -
4X6R
5
?
A:
[43-333]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
D
R
I
K
T
L
G
T
G
-
S
F
G
R
V
M
L
V
K
H
---
K
---
E
S
G
N
H
Y
A
M
K
I
L
D
K
Q
K
V
V
-
K
-
L
K
Q
I
E
H
T
L
N
E
K
R
I
L
Q
A
V
-
N
-
F
P
F
L
V
K
L
E
F
S
F
K
D
N
S
-
N
L
Y
M
V
M
E
Y
V
A
G
G
E
M
F
S
H
L
R
R
I
-
G
R
F
S
E
P
H
A
R
F
Y
A
A
Q
I
V
L
T
F
E
Y
L
H
S
L
D
L
I
Y
R
D
L
K
P
E
N
L
L
I
D
Q
Q
-
G
Y
I
Q
V
T
D
F
G
F
A
K
---------------
R
V
K
--------------
G
R
T
W
---
T
L
C
G
T
P
E
Y
L
A
P
E
I
I
L
S
K
---
G
----
Y
N
K
A
V
D
W
W
A
L
G
V
L
I
Y
E
M
A
A
G
Y
P
--
P
F
F
A
D
Q
P
--
I
Q
I
Y
E
K
I
V
S
--
G
K
--
V
R
F
P
S
H
F
S
S
---
D
L
K
D
L
L
R
N
L
L
Q
V
D
L
T
K
R
F
G
N
LK
N
--
G
V
N
D
I
K
N
H
K
W
F
A
T
--
T
D
W
I
A
I
Y
Q
R
K
--
V
--
E
AP
F
I
P
K
F
K
G
P
G
D
T
S
N
F
D
D
Y
E
E
E
E
I
R
V
S
I
-----
N
E
K
C
G
K
E
F
T
E
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------