@TOME V2.3
(Nov 2016)
Ref.
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Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
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
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : bsu18340: (2016-06-29 )
MSEHTYSLTHAQRRVWFTELLEPDTSICNLTACVKFKGNIELDTLEGALNHSISRNDAIRFQLLEGEELEPRLHLTEYKYYPLRIIDFSNVEMIEIEQWIQDQASIPFKLFNSPLFQFYLLRIDSHEVWLFAKFHHIIMDGISLNVMGNQIIDLYQKMKKKDPLPDQPEPSYLSYIEKESQYLQSPRFAKDRLFWTQTFEHPLEYHSLADQTSLQKQSTSASRDTIILSPDLEQTIRIFCEEHKINIISLFMASFYICISRITSKKDLAIGTYYGNRGSKAEKEMLGMFVSSLPIRITVDPDTDFLSFVRTIGREQLSVMRHQRFPYNLLVNELRNEQKDLHNLIGISMQYQPLQWHNADDFDYETALYFSGYTANELSVQIQERIDNGTIQLNFDYQNTLFSLEDIKRIQSHLLTILENALKHPHSFIRELDMTNTREKQKLLYEFNKTEAVSPKAFTLHGLFERQAAFTPERLAIRFSGGSLTYAELDMYASRLAAHLAARGVTNESIVGVLSERSPDMLIAVLAVLKAGGAYLPLDPAYPKERLSYMLKDSGASLLLTQPGCSAPNFSGETLEVDMTSLASEKAENHEFTPADGGSLAYVIYTSGSTGQPKGVAVEHRQAVSFLTGMQHQFPLSEDDIVMVKTSFSFDASVWQLFWWSLSGASAYLLPPGWEKDSALIVQAIHQENVTTAHFIPAMLNSFLDQAEIERLSDRTSLKRVFAGGEPLAPRTAARFASVLPQVSLIHGYGPTEATVDAAFYVLDPERDRDRLRIPIGKPVPGARLYVLDPHLAVQPSGVAGELYIAGAGVARGYLNRPALTEERFLEDPFYPGERMYKTGDVARWLPDGNVEFLGRTDDQVKIRGYRIEPGEIEAALRSIEGVREAAVTVRTDSGEPELCAYVEGLQRNEVRAQLERLLPGYMVPAYMIEMEQWPVTPSGKLDRNALPAPGGAADAETYTAPRNVTEMKLSQLWEDVLKNGPVGIHDNFFDRGGHSLKATALVSRIAKEFDVQVPLKDVFAHPTVEGLATVIREGTDSPYEAIKPAEKQETYPVSSAQKRIYVLQQLEDGGTGYNMPAVLELEGKLNPERMERAFKELIKRHESLRTSFEQDAGGDPVQRIHDEVPFTLQTTVLGERTEQEAAAAFIKPFDLSQAPLFRAQIVKISDERHLLLVDMHHIISDGVSVNILIREFGELYNNRNLPALRIQYKDYAVWREGFKTGDAYKTQEAYWLKQLEGELPVLDLPADHARPPVRSFAGDKVSFTLDQEVASGLHKLARENGSTLYMVLLAAYTAFLSRLSGQEDIIVGSPIAGRPHKDLEPILGMFVNTLALRTRPEGGKPFVQYLQEVRETALEAFEHQDYPFEELVDKLELTRDMSRNPVFDAMFILQNVEKQDIDLREIKVRPANFAHHISLFDITLIATEISGSICCEMEFSTEVFLKATIERWADHFIEFLHEALSTPETSLAQINILSDKEKQKIVFEFNKTQVEFAQKDIPFHRIFEAKAEENPEHIAVIDNETEISYRLLNERANRLARTLQNRKGPKPTVAVLAKRSIDAIVGVLAVMKAGGVYIPIDAHYPKARIEYILRDSGADILLLQRELKHLISNSPESEMSHIFLDDEGSFEESNCNLNLSPAPEEPVYIIYTSGTTGAPKGVIVTYQNFTHAALAWRQIYELDRKPVRLLQIASFSFDVFSGDLARTLTNGGTLIVCPDETRLEPAEIYKIIKSQRITVMESTPALIIPVMEYVYRNQFKLPDLDILILGSDMVKAQDFKTLTDRFGQSMRIINSYGVTEATIDSSFYETSMGGECTGDNVPIGSPLPNVHMYVLSQTDQIQPIGVAGELCIGGAGVAKGYHHKPDLTQMKFTENPFVSGERLYRTGDRACWLPNGTIRLLGRMDYQVKINGYRIETEEIESVLLQTGLVREAAVAVQHDKNGQAGLAAYIVPSDVNTNALRAALTKELPAYMIPAYLIPLVNMPLTLNGKLDRNALPAPNNVLSRPYTAPVNDLQKTMAYIWEDVLSMSRVGIHDSFFELGGDSIKALQVAARLAAEGWSMTIRDLFRYSTIQELCGHITPLASQADQGPAEGEAELTPIQRRFFGQVHAFHYHYNQSVMLFSEKGFNANALHLALRKITEHHDAIRMIFQRDQNGHVIQFNRGINHKDHELFGLYISDWTKASLERAHLDEKLAAEETVIQSKMNVEKGPLLQAGLFKTAEGDHLLIALHHLVIDGVSWRILLEDLAAAYQQALEKKEIQLPPKTDSYLSYADGLTQIAESKQLLSEKTYWQTILDAHTAFLPKDIENVPDKLQMNSDAAAFVLSGDWTEKLLFETQQAYGTDANELLLTALGMALSEWTGHDQIVISTEGHGREGHVPNIDISRTVGWFTSIYPILLDMGIPEPFEDQLAYRIKTTKDMLRRVPNKGTGYGLLTHIGELRHKEPEVSFNYLGQFSEEKEVETFQLSYYQPRYEIAGEREREYELDINALITDGRLHVKAVYTQVFSKHSIECFMDRFHRHLIETIEHCSQKKAREKTLSDFSNKELTLSALSSIEDLVKDL
Atome Classification :
(21 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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSE
H
T
Y
S
L
T
H
A
Q
R
R
V
W
F
T
E
LLEPDTSIC
N
L
T
A
C
V
K
F
KG
N
I
E
L
D
T
L
E
G
A
LNHSISRN
D
A
I
R
F
Q
LLEGEELEP
R
L
H
L
T
E
Y
K
YY
P
L
-
R
I
---
I
DF-SN
V
E
M
--
I
E
I
E
Q
W
I
Q
D
QASI
P
F
K
L
---F-NS
P
L
F
Q
F
Y
L
L
R
IDSH
E
V
W
L
F
A
K
F
H
H
I
I
MDG
I
S
L
N
V
MG
N
Q
I
I
D
L
Y
Q
K
M
K
KKDPLPDQPE
P
S
Y
L
S
Y
I
E
K
E
S
Q
Y
L
-QSPRFAKD
R
L
F
W
T
Q
TFEH
P
L
E
Y
H
S
LA
D
Q
T
S
L
Q
K-QSTSASR
D
T
I
I
LSP
D
L
E
Q
T
I
R
I
F
----
C
E
EHK
I
N
I
I
S
L
F
M
A
S
F
Y
I
C
I
S
R
ITSKKD
L
A
I
G
T
YYGNRGS
K
A
E
K
E
M
L
G
M
F
V
SSL
P
I
R
I
T
VDPD
T
D
F
L
S
F
V
R
T
I
G
R
E
Q
L
S
V
M
R
HQRF
P
Y
N
L
L
V
N
E
L
R
N
E
Q
K
D
L
H
N
L
IGI
S
M
Q
YQPLQWH-NA-DDFDY
E
T
A
L
Y
FSGYTA
N
E
L
S
V
Q
I
Q
E
RIDN
G
T
I
Q
L
N
F
DYQNTLF
S
L
E
D
I
K
R
I
Q
S
H
L
L
T
I
L
E
N
A
L
K
H
P
H
S
F
I
R
E
LDMT
N
T
R
E
K
---
Q
K
L
L
Y
EFNKTEAVSPK
A
F
T
L
H
G
L
F
E
R
Q
AAFTPE
R
L
A
I
R
FSGGSL
T
Y
A
E
L
D
M
Y
A
S
R
L
A
A
H
L
A
ARGVT
N
E
S
I
V
G
V
L
SERS
P
D
M
L
I
A
V
L
A
V
L
KAGGAYLPLDPAY
P
K
E
R
L
S
Y
M
L
KDSG
A
S
L
L
L
TQP-G----CS--APNFS-G-
E
T
L
E
V
D
--
M
T
S
L
A
S
E
KAEN--HEFTPADGG
S
L
--------
A
Y
V
I
Y
TSGSTGQPK
G
V
A
V
E
H
R
Q
A
V
S
F
L
TG
M
Q
HQFPLSED
D
I
V
M
V
K
T
SFSF
D
A
S
V
W
Q
L
F
W
W
SLSGA
S
A
Y
LLPPGWEK
D
S
A
L
I
V
Q
A
I
H
QENV
T
T
A
H
F
I
P
A
M
L
N
S
F
L
D
Q
A
E
I
E
-
R
L
S
D
R
T
S
---
L
K
R
V
FAGGEPLA
P
R
T
A
A
R
-
F
A
S
VLP
Q
V
S
L
I
HGYGPTE
A
T
V
D
A
A
F
Y
-
V
LD--PER--DRD
R
-
L
RIPIGKPV-PG
A
R
L
Y
V
LDPH
L
A
-VQPSGVAG
E
L
Y
I
AGAGVARGYLNRPAL
T
E
E
R
FLEDPFY--PGERMYKTG
D
V
A
R
WLPDG
N
V
E
F
LGRTD
D
Q
V
K
I
R
G
Y
RIE
P
G
E
I
E
A
A
L
R
S
I
E
G
V
R
E
A
A
V
-------
T
V
RT------D-S-G
E
-
P
E
L
C
A
Y
V
---
E
G-----L-----
Q
R
N
E
-----
V
R
A
Q
L
E
R
LLPGYMV
P
A
Y
M
I
E
MEQWPVTPSGKLDRNALPAP----GGAAD--AETYTAPR
N
V
T
E
M
K
L
S
Q
L
W
E
D
V
L
KNGPVGIHDN
F
F
DRGGH
S
L
K
A
T
A
L
V
S
R
I
A
K
E-FDVQV
P
L
K
D
V
FAHP
T
V
E
G
L
A
T
V
I
REGTDS
P
Y
E
AIKPAEKQETYPVS
S
A
Q
K
R
I
Y
V
L
Q
QLEDGGTGYNM
P
A
V
L
E
LEGKL
N
P
-
E
R
M
E
R
A
F
K
E
L
---
I
K
R
H
E
S
L
R
T
S
F
-EQDAGG
D
P
V
--
Q
R
I
H
DEVP
F
T
----
L
Q
-
T
T
VLG--------ER
T
E
Q
E
A
A
A
A
F
--------IKPFDLS-QAP
L
F
R
A
Q
I
V
K
ISDE
R
H
L
L
L
V
D
M
H
H
I
ISDG
V
S
V
N
I
L
I
R
E
----
F
G
E
L
YNN------R----N-----L--
P
A
L
R
-
I
Q
YK
D
Y
A
V
W
R
E
GFKTGDAYK
T
Q
E
A
Y
W
L
K
Q
LEGEL
P
V
LDLPADHARP
P
V
R
S
FAGD
K
V
S
F
T
L
D
Q
E
V
A
S
G
L
H
K
L
A
R
ENGS
T
L
Y
M
V
L
L
A
A
Y
T
A
F
L
S
RLSGQE
D
I
I
VGSPIAGRPH--K
D
L
E
P
I
L
G
M
F
V
N
T
L
A
LRTRPEGG
K
P
F
V
Q
Y
L
Q
E
V
R
E
T
A
L
E
A
F
EHQDY
P
F
E
E
L
V
D
K
L
E
L
T
R
DMSRNP
V
F
D
-
A
M
F
------------
I
L
QNVEK------QDID--------------
L
-----
R
E
I
K
VR--P--AN
F
A
H
-
H
I
---
S
L
F
D
I
T
L
-
I
A
T
E-I-S
G
S
I
C
C
E
M
EFS
T
E
V
F
L
K
A
T
I
E
R
W
A
D
H
F
I
E
F
L
H
E
A
LSTPETS
L
A
Q
I
N
I
LSDKEK
Q
K
I
V
F
E
-FNK
T
Q
V
E
FAQKDI
P
F
H
R
I
F
E
A
KAEENP
E
H
I
A
V
IDNET
E
I
S
Y
R
L
L
N
E
R
A
N
R
L
A
R
T
L
Q
NR---KGPK
P
T
V
A
V
L
A
K
R
S
I
D
A
I
V
G
V
L
A
V
M
KAG
G
V
Y
I
PIDAHYP
K
A
R
I
E
Y
I
L
RDSGA
D
I
L
L
L
Q
R
E
L
K
H
L
ISNSPESE
M
S
H
I
F
LDDEGSFEESNC
N
L
NLSPAPEE
P
V
Y
I
I
Y
TSGTTGAPK
G
V
I
V
T
YQNF
T
H
A
A
L
A
W
R
Q
I
Y
E
LDRK
P
V
R
L
L
Q
I
A
S
F
S
F
DVFS
G
D
L
A
R
T
LTNG
G
T
L
I
V
CPDETRL
E
P
A
E
I
Y
K
I
I
K
SQ
R
I
T
V
MEST
P
A
L
I
I
P
V
M
E
Y
V
Y
R--NQFKLPD
L
D
I
L
I
LGSDMV
K
A
Q
D
F
K
T
L
T
D
RF
G
Q
S
M
R
I
I
N
SYGV
T
E
A
TIDSSFYETSMG--GECTGDNVPIGSPLP
N
V
H
M
Y
V
LSQTDQIQPIGVAGE
L
C
IGGAGVAKGYHHKPDLT
Q
M
KFTENPFV-SGE
R
L
Y
RTGDR
A
C
WLPNG
T
I
R
L
L
GRM
D
Y
Q
V
K
I
N
G
Y
R
I
E
T
E
E
I
E
S
V
L
L
QTG
L
V
R
E
A
A
V
A
V
QH------DKNGQA
G
L
A
A
Y
I
VP-S-D---V
N
T
N
A
L
R
A
A
L
T
K
EL
P
A
Y
M
I
P
A
Y
L
I
P
LVNM
P
L
T
LNGKLDRNALPAPN-NVL-SRPYTA
P
V
N
D
L
Q
K
T
M
A
Y
I
W
E
D
V
L
S
M
S
RVGI
H
D
S
F
F
E
LGGD
S
I
K
A
L
Q
V
A
A
R
L
-
A
-AE-GW
S
M
T
I
R
D
L
F
R
Y
S
T
I
Q
E
L
C
G
HITPLASQADQGPAEGEAE
L
T
P
I
Q
R
R
F
FGQ
V
H
A
F
H
Y
H
YN
Q
S
V
M
L
F
SEKGFN
A
N
A
L
H
L
A
L
R
K
I
T
E
H
H
D
A
I
R
M
I
F
QRDQNG
H
V
I
Q
FNRGINHKD
H
E
L
F
G
L
Y
ISDW
T
K
A
S
L
E
R
A
H
L
D
E
K
L
A
A
E
E
T
V
I
Q
S
KMNVEKGPL
L
Q
AGLFKTAEG
D
H
L
L
I
A
L
H
H
L
V
IDGV
S
W
R
I
L
L
E
D
L
A
A
A
Y
Q
Q
A
L
E
K
KEIQLPPKTD
S
Y
L
S
Y
A
D
G
L
T
Q
I
A
E
S
K
Q
L
L
S
E
K
T
Y
W
Q
T
I
L
D
A
H
T
AFL
P
K
D
I
E
NV
P
D
K
LQMNSD
A
A
A
F
V
LSGD
W
T
E
K
L
L
F
E
T
Q
Q
AYGT
D
A
N
E
L
L
L
T
A
L
G
M
A
L
S
EWTGH
D
Q
I
V
I
STEGHGREGHVPNIDI
S
R
T
V
G
W
F
T
S
I
Y
P
I
L
L
DMGIPEP
F
E
D
Q
L
A
Y
R
I
K
T
T
K
D
M
L
R
RVPNKGT
G
Y
G
L
L
T
H
I
G
E
L
RHKEPEV
S
F
N
Y
L
GQFSEEKE
V
E
T
F
Q
L
S
YYQ
P
R
Y
EIAGERE
R
E
Y
E
L
D
I
N
A
L
I
TDG
R
L
H
V
K
A
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T
Q
V
F
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S
I
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C
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M
D
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T
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C
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Q
K
K
A
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K
T
L
S
DFSNKE
L
T
L
S
A
L
S
S
I
E
D
L
V
KDL
6
PsiBlast_PDB
65.54
28%
1
- C1 -
4ZXH
3
?
A:
[17-1040]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
A
I
S
S
E
Q
L
G
I
W
Y
I
Q
R
L
E
P
T
C
S
A
Y
N
M
--
V
V
A
F
D
V
K
V
N
Q
-
S
L
G
N
K
P
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L
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V
M
H
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Y
P
L
L
R
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M
P
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D
Q
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Q
L
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V
Y
P
N
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I
F
S
D
ARH
I
E
-
A
S
D
L
T
--------
Q
L
V
E
Q
D
T
K
------------
Q
P
F
D
L
T
-
Q
P
P
L
W
R
I
H
C
Y
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C
G
Q
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Y
V
I
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H
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I
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L
L
L
R
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K
R
F
G
L
V
A
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S
------
D
----
A
-----
V
--
N
G
I
E
F
V
Q
Y
A
D
----
K
Q
Q
S
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D
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L
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N
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GMDEFKE
L
L
L
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A
T
L
V
G
Q
D
L
T
--------------
L
-----
G
S
F
P
V
R
---------
Q
-
Q
E
---
G
Q
L
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L
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----
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I
N
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P
A
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M
L
L
D
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W
S
--
G
N
A
G
L
T
A
L
----
C
G
G
E
---
A
L
D
T
I
L
A
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L
L
G
K
V
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L
K
Q
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A
V
V
L
V
K
T
------
T
G
D
N
D
Q
K
L
V
A
Y
V
T
G
-
Q
-
E
---
L
D
I
A
G
L
K
K
N
L
Q
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V
A
L
L
A
Q
Y
S
T
V
E
R
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
65.53
28%
2
- C1 -
4ZXI
5
?
A:
[17-1040]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
A
I
S
S
E
Q
L
G
I
W
Y
I
Q
R
L
E
P
T
C
S
A
Y
N
M
--
V
V
A
F
D
V
K
V
N
Q
-
S
L
G
N
K
P
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A
V
M
H
D
Y
P
L
L
R
V
S
M
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A
N
D
Q
G
I
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Q
L
I
W
D
R
V
Y
P
N
I
I
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S
D
ARH
I
E
-
A
S
D
L
T
--------
Q
L
V
E
Q
D
T
K
------------
Q
P
F
D
L
T
-
Q
P
P
L
W
R
I
H
C
Y
E
C
G
Q
N
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Y
V
I
A
F
V
I
H
H
A
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F
W
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I
G
L
L
L
R
D
V
S
K
R
F
G
L
V
A
E
S
------
D
----
A
-----
V
--
N
G
I
E
F
V
Q
Y
A
D
----
K
Q
Q
S
S
V
I
D
D
T
D
E
S
L
I
F
W
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N
A
L
K
H
A
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H
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Y
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RLGGMDEFKE
L
L
L
P
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P
A
T
L
V
G
Q
D
L
T
--------------
L
-----
G
S
F
P
V
R
---------
Q
-
Q
E
---
G
Q
L
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----
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A
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L
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S
--
G
N
A
G
L
T
A
L
----
C
G
G
E
---
A
L
D
T
I
L
A
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L
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G
K
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L
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Q
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D
A
V
V
L
V
K
T
------
T
G
D
N
D
Q
K
L
V
A
Y
V
T
G
-
Q
-
E
---
L
D
I
A
G
L
K
K
N
L
Q
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A
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A
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L
A
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Y
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R
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
63.13
30%
14
- C1 -
2VSQ
2
SRFAC_BACSU
A:
[10-1056]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
D
M
Y
Y
L
S
P
M
Q
E
G
M
L
F
H
A
I
L
N
P
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Q
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---
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Q
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----
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I
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L
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--------
H
L
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Q
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----
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N
A
L
R
E
Q
K
P
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----
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-----
L
--
P
P
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K
--
P
Y
K
D
Y
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K
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A
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----
Y
W
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L
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Q
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------------
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------
Q
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A
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--------------
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-----
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--
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L
T
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G
Q
T
L
S
Y
R
E
L
D
E
E
A
N
R
I
A
R
R
L
Q
K
H
G--
A
G
K
G
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V
V
A
L
Y
T
K
R
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L
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L
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I
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L
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A
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L
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A
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L
L
T
H
Q
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M
K
E
Q
A
A
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P
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T
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T
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-
L
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T
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P
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G
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A
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I
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--
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A
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A
A
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L
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H
T
L
L
D
T
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R
L
T
D
L
I
L
Q
E
N
V
N
V
M
F
A
T
T
A
L
F
N
L
L
T
D
---
A
--
G
E
D
W
M
K
G
L
R
C
I
L
F
G
G
E
R
A
S
V
P
H
V
R
K
A
L
R
I
M
G
P
G
-
K
L
I
N
C
Y
G
P
T
E
G
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V
F
A
T
A
H
V
V
H
D
L
--
P
D
S
I
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-
S
L
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K
P
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A
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Y
I
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Q
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K
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A
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V
V
A
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R
------
H
E
S
G
D
A
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I
N
A
Y
L
V
N
R
T
-
Q
---
L
S
A
E
D
V
K
A
H
L
K
K
Q
L
P
A
Y
M
V
P
Q
T
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T
F
L
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L
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L
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L
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P
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L
-
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L
L
F
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A
P
T
I
A
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I
S
A
Y
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
HHSearch
62.06
30%
8
- C1 -
2VSQ
2
SRFAC_BACSU
A:
[8-1060]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
Q
D
M
Y
Y
L
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P
M
Q
E
G
M
L
F
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K
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L
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-
K
C
L
E
E
S
M
N
V
I
---
M
D
R
Y
D
V
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R
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V
F
-
I
H
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K
V
K
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--
Q
V
V
L
K
K
R
Q
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----
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-
E
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D
L
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HLT
G
S
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Q
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K
I
N
E
Y
K
E
Q
D
K
--------
I
R
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F
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A
A
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K
A
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W
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H
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I
L
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W
C
F
G
I
V
V
Q
D
----
L
F
K
V
Y
N
A
------
L
----
R
E
Q
K
P
Y
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--
L
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P
V
-
K
P
Y
K
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Y
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K
W
L
E
K
Q
----
D
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L
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G
F
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Q
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T
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L
Y
D
I
Q
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Q
A
D
------
Q
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K
L
I
D
-
H
I
I
------------
V
F
E
N
Y
P
L
------
Q
D
A
K
--------------
N
EESSE
N
G
F
D
M
V
--
D
--
V
-
H
V
F
-
E
K
---
S
N
Y
D
L
N
L
-
M
A
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--
P
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L
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L
L
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L
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A
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A
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L
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K
G
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D
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M
F
A
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A
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L
L
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A
G
-----
E
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W
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K
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L
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C
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L
F
G
G
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R
A
S
V
P
H
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K
A
L
R
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M
G
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P
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L
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C
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--
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D
A
V
V
V
A
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R
------
H
E
S
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D
A
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I
N
A
Y
L
V
N
-
R
T
Q
---
L
S
A
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K
A
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L
K
K
Q
L
P
A
Y
M
V
P
Q
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L
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L
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A
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I
A
G
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A
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L
K
N
G
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
59.18
30%
0
- C1 -
4ZXJ
1
ENTF_ECOLI
A:
[1-1042]
---
H
-
L
P
L
V
A
A
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I
W
M
A
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K
L
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L
P
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---
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D
L
R
T
N
I
D
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--
H
G
T
A
Q
A
L
M
-
Q
A
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L
Q
Q
D
L
RVD
S
-
G
K
P
L
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W
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L
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I
A
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F
A
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V
E
E
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Q
Q
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R
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A
W
Q
R
D
A
A
F
W
A
---
E
Q
R
R
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L
P
P
P
A
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L
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A
P
L
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G
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---
A
Q
L
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A
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--
L
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--------
D
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A
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A
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A
A
A
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------
G
-
G
-
D
A
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R
Q
L
V
G
Y
L
---
V
S
QSGLP
L
-----
D
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A
-----
L
Q
A
Q
L
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V
V
L
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----
E
L
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A
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A
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A
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M
K
L
A
A
Q
L
S
R
Q
-
V
A
R
Q
V
T
P
G
Q
V
M
V
A
S
T
V
A
K
L
A
T
I
I
D
A
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
57.56
47%
-84
- C1 -
2JGP
5
A:
[4-520]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
V
A
P
R
S
V
W
E
A
R
L
A
Q
V
W
E
Q
V
L
N
V
P
Q
V
G
A
L
D
D
F
F
A
L
G
G
H
S
L
R
A
M
R
V
L
S
S
M
H
N
E
-
Y
Q
V
D
I
P
L
R
I
L
F
E
K
P
T
I
Q
E
L
A
A
F
I
E
E
T
A
K
G
N
V
F
S
I
E
P
V
Q
K
Q
A
Y
Y
P
V
S
S
A
Q
K
R
M
Y
I
L
D
Q
F
E
G
V
G
I
S
Y
N
M
P
S
T
M
L
I
E
G
K
L
E
R
-
T
R
V
E
A
A
F
Q
R
L
---
I
A
R
H
E
S
L
R
T
S
F
-
A
V
-
V
N
G
E
P
V
--
Q
N
I
H
E
D
V
P
F
A
----
L
A
-
Y
S
E
V
T
--------
E
E
E
A
R
E
L
V
S
S
L
--------
V
Q
P
F
D
L
E
-
V
A
P
L
I
R
V
S
L
L
K
I
G
E
D
R
Y
V
L
F
T
D
M
H
H
S
I
S
D
G
V
S
S
G
I
L
L
A
E
----
W
V
Q
L
Y
Q
G
------
D
----
V
-----
L
--
P
E
L
R
-
I
Q
Y
K
D
F
A
V
W
Q
Q
E
F
S
Q
S
A
A
F
H
K
Q
E
A
Y
W
L
Q
T
F
A
D
D
I
P
V
L
N
L
P
T
D
F
T
R
P
S
T
Q
S
F
A
G
D
Q
C
T
I
G
A
G
K
A
L
T
E
G
L
H
Q
L
A
Q
A
T
G
T
T
L
Y
M
V
L
L
A
A
Y
N
V
L
L
A
K
Y
A
G
Q
E
D
I
I
V
G
T
P
I
T
G
R
S
H
--
A
D
L
E
P
I
V
G
M
F
V
N
T
L
A
M
R
N
K
P
Q
R
E
K
T
F
S
E
F
L
Q
E
V
K
Q
N
A
L
D
A
Y
G
H
Q
D
Y
P
F
E
E
L
V
E
K
L
A
I
A
R
D
L
S
R
N
P
L
F
D
-
T
V
F
------------
T
F
Q
N
S
T
E
------
E
V
M
T
--------------
L
-----
P
E
C
T
L
A
--
P
F
M
T
D
E
T
G
-
Q
H
---
A
K
F
D
L
T
F
-
S
A
T
E
-
E
-
R
E
E
M
T
I
G
V
E
Y
S
T
S
L
F
T
R
E
T
M
E
R
F
S
R
H
F
L
T
I
A
A
S
I
V
Q
N
P
H
I
R
L
G
E
I
D
M
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
65
Fugue
57.46
47%
-82
- C1 -
2JGP
5
A:
[1-520]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
S
E
Y
V
A
P
R
S
V
W
E
A
R
L
A
Q
V
W
E
Q
V
L
N
V
P
Q
V
G
A
L
D
D
F
F
A
L
G
G
H
S
L
R
A
M
R
V
L
S
S
M
H
N
E
-
Y
Q
V
D
I
P
L
R
I
L
F
E
K
P
T
I
Q
E
L
A
A
F
I
E
E
T
A
K
G
N
V
F
S
I
E
P
V
Q
K
Q
A
Y
Y
P
V
S
S
A
Q
K
R
M
Y
I
L
D
Q
F
E
G
V
G
I
S
Y
N
M
P
S
T
M
L
I
E
G
K
L
E
R
-
T
R
V
E
A
A
F
Q
R
L
---
I
A
R
H
E
S
L
R
T
S
F
-
A
V
V
-
N
G
E
P
V
--
Q
N
I
H
E
D
V
P
F
A
----
L
A
-
Y
S
E
V
T
--------
E
E
E
A
R
E
L
V
S
S
L
--------
V
Q
P
F
D
L
E
-
V
A
P
L
I
R
V
S
L
L
K
I
G
E
D
R
Y
V
L
F
T
D
M
H
H
S
I
S
D
G
V
S
S
G
I
L
L
A
E
----
W
V
Q
L
Y
Q
G
------
D
----
V
-----
L
--
P
E
L
R
-
I
Q
Y
K
D
F
A
V
W
Q
Q
E
F
S
Q
S
A
A
F
H
K
Q
E
A
Y
W
L
Q
T
F
A
D
D
I
P
V
L
N
L
P
T
D
F
T
R
P
S
T
Q
S
F
A
G
D
Q
C
T
I
G
A
G
K
A
L
T
E
G
L
H
Q
L
A
Q
A
T
G
T
T
L
Y
M
V
L
L
A
A
Y
N
V
L
L
A
K
Y
A
G
Q
E
D
I
I
V
G
T
P
I
T
G
R
S
H
--
A
D
L
E
P
I
V
G
M
F
V
N
T
L
A
M
R
N
K
P
Q
R
E
K
T
F
S
E
F
L
Q
E
V
K
Q
N
A
L
D
A
Y
G
H
Q
D
Y
P
F
E
E
L
V
E
K
L
A
I
A
R
D
L
S
R
N
P
L
F
D
-
T
V
F
------------
T
F
Q
N
S
T
E
------
E
V
M
T
--------------
L
-----
P
E
C
T
L
A
P
F
M
--
T
D
E
T
G
-
Q
H
---
A
K
F
D
L
T
F
-
S
A
T
E
-
E
-
R
E
E
M
T
I
G
V
E
Y
S
T
S
L
F
T
R
E
T
M
E
R
F
S
R
H
F
L
T
I
A
A
S
I
V
Q
N
P
H
I
R
L
G
E
I
D
M
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
HHSearch
57.39
28%
-1
- C1 -
4ZXJ
1
ENTF_ECOLI
A:
[2-1041]
-----
L
P
L
V
A
A
Q
P
G
I
W
M
A
E
K
L
S
E
L
P
S
A
W
S
V
A
H
Y
V
E
L
T
G
E
V
D
S
P
L
L
A
R
A
V
V
A
G
L
A
Q
A
D
T
L
R
M
R
F
T
E
D
-
N
G
E
V
W
Q
W
V
--
D
D
A
L
T
F
-
E
L
P
E
I
I
D
L
-
R
T
N
I
D
PH
G
T
A
Q
A
L
M
Q
A
D
L
Q
Q
D
L
R
V
---
D
S
G
K
P
L
V
F
H
Q
L
I
Q
V
A
D
N
R
W
Y
W
Y
Q
R
Y
H
H
L
L
V
D
G
F
S
F
P
A
I
T
R
Q
I
A
N
I
Y
C
T
W
L
R
G
E
P
T
P
A
S
P
F
T
P
F
A
D
V
V
E
E
Y
Q
-
Q
Y
R
E
S
E
A
W
Q
R
D
A
A
F
W
A
E
Q
R
R
Q
L
P
P
P
A
S
L
S
P
A
P
L
P
G
R
S
A
S
A
D
I
L
R
L
K
L
E
F
T
--
D
G
E
F
R
Q
L
A
----
T
Q
L
S
G
V
Q
R
T
D
L
A
L
A
L
A
A
L
W
L
G
R
L
C
N
R
M
D
Y
A
A
G
F
I
F
M
R
R
L
G
S
A
A
L
T
A
T
G
P
V
L
N
V
L
P
L
G
I
H
I
A
A
Q
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L
P
E
L
A
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R
L
A
A
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L
K
K
M
R
R
H
Q
R
Y
D
A
E
Q
I
V
R
D
S
G
R
-
A
A
G
D
E
P
L
F
G
P
V
L
N
I
K
V
F
D
Y
Q
-
L
D
I
P
D
V
Q
A
Q
T
H
-
T
L
A
T
G
P
V
N
D
L
E
L
A
L
F
P
D
-
V
H
G
D
L
S
I
E
I
L
A
N
K
Q
R
Y
D
E
P
T
L
I
Q
H
A
E
R
L
K
M
L
I
A
Q
F
A
A
D
P
A
L
L
C
G
D
V
D
I
M
L
P
G
E
Y
---
A
Q
-
L
A
Q
L
N
A
T
Q
V
E
-
I
P
E
T
T
L
S
A
L
V
A
E
Q
A
A
K
T
P
D
A
P
A
L
A
D
A
R
Y
L
F
S
Y
R
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M
R
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Q
V
V
A
L
A
N
L
L
R
E
R
G
V
K
P
G
D
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V
A
V
A
L
P
R
S
V
F
L
T
L
A
L
H
A
I
V
E
A
G
A
A
W
L
P
L
D
T
G
Y
P
D
D
R
L
K
M
M
L
E
D
A
R
P
S
L
L
I
T
T
D
-
D
----
Q
L
--
P
R
F
S
D
-
V
P
N
L
T
S
L
C
--
Y
N
A
P
L
T
-
P
Q
G
S
--
A
P
L
Q
L
S
Q
P
H
H
T
--------
A
Y
I
I
F
T
S
G
S
T
G
R
P
K
G
V
M
V
G
Q
T
A
I
V
N
R
L
L
W
M
Q
N
H
Y
P
L
T
G
E
D
V
V
A
Q
K
T
P
C
S
F
D
V
S
V
W
E
F
F
W
P
F
I
A
G
A
K
L
V
M
A
E
P
E
A
H
R
D
P
L
A
M
Q
Q
F
F
A
E
Y
G
V
T
T
T
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F
V
P
S
M
L
A
A
F
V
A
S
L
T
P
Q
T
A
R
Q
S
C
A
T
---
L
K
Q
V
F
C
S
G
E
A
L
P
A
D
L
C
R
E
-
W
Q
Q
L
T
-
G
A
P
L
H
N
L
Y
G
P
T
E
A
A
V
D
V
S
W
Y
-
P
A
F
--
G
E
E
L
A
Q
V
R
G
-
S
S
V
P
I
G
Y
P
V
-
W
N
T
G
L
R
I
L
D
A
M
M
H
-
P
V
P
P
G
V
A
G
D
L
Y
L
T
G
I
Q
L
A
Q
G
Y
L
G
R
P
D
L
T
A
S
R
F
I
A
D
P
F
A
--
P
G
E
R
M
Y
R
T
G
D
V
A
R
W
L
D
N
G
A
V
E
Y
L
G
R
S
D
D
Q
L
K
I
R
G
Q
R
I
E
L
G
E
I
D
R
V
M
Q
A
L
P
D
V
E
Q
A
V
T
-------
H
A
C
V
INQAAA
T
G
G
-
D
A
-
R
Q
L
V
G
Y
L
---
V
S
-----
Q
SGLPL
D
T
S
A
-----
L
Q
A
Q
L
R
E
T
L
P
P
H
M
V
P
V
V
L
L
Q
L
P
Q
L
P
L
S
A
N
G
K
L
D
R
K
A
L
P
L
P
----
E
L
K
A
---
Q
A
P
G
R
A
P
K
A
G
S
E
T
I
I
A
A
A
F
S
S
L
L
G
C
D
V
Q
D
A
D
A
D
F
F
A
L
G
G
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L
L
A
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L
A
A
Q
L
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-
V
A
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V
M
V
A
S
T
V
A
K
L
A
T
I
I
D
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
HHSearch
56.56
27%
-2
- C1 -
4ZXH
3
?
A:
[11-1048]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
E
V
L
S
R
H
A
I
S
S
E
Q
L
G
I
W
Y
I
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L
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---
M
H
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Y
P
L
L
R
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M
-
P
A
N
D
-
Q
G
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--
Q
L
I
W
D
R
V
Y
P
N
----
I
I
-
F
S
D
A
R
HIE
A
----
S
D
L
T
Q
L
V
E
Q
D
T
--------
K
Q
P
F
D
L
T
-
Q
P
P
L
W
R
I
H
C
Y
E
C
G
Q
N
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Y
V
I
A
F
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I
H
H
A
L
M
D
F
W
S
I
G
L
L
L
R
D
----
V
S
K
R
F
G
L
------
V
----
A
-----
E
SD
A
V
N
G
-
I
E
F
V
Q
Y
A
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K
Q
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Y
P
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L
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L
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L
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L
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L
L
H
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L
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N
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N
N
L
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A
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A
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L
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--
R
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A
L
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A
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V
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A
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P
L
A
Q
-
I
G
M
------------
F
W
E
R
L
G
G
------
M
D
E
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KELLLPIQTP
A
T
L
V
G
-----
Q
D
L
T
L
G
--
S
--
F
P
V
R
Q
-
Q
E
---
G
Q
L
D
I
T
L
-
E
M
G
G
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Y
-
Q
G
E
L
V
G
V
L
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Y
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L
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A
Q
S
A
E
N
M
V
Q
L
L
Q
A
V
L
S
E
M
V
A
H
P
E
R
K
I
V
E
L
D
I
A
P
D
Y
K
D
G
I
Q
F
E
A
-
L
R
G
K
A
T
D
Y
A
--
Q
H
D
L
F
A
M
I
L
K
Q
I
D
E
R
G
D
N
H
A
L
T
S
--
H
T
V
S
Y
R
E
L
G
Q
H
I
A
G
I
A
E
Y
L
R
A
H
G--
I
T
Q
G
D
R
V
G
L
M
L
D
R
T
A
L
L
P
A
A
I
L
G
I
W
A
A
G
A
A
Y
V
P
L
D
P
N
F
P
T
E
R
L
Q
N
I
I
E
D
A
E
P
K
V
I
L
T
Q
T
E
L
M
D
G
L
N
V
S
----
V
P
R
L
D
I
N
Q
A
G
V
--
V
A
L
E
Q
V
R
E
T
L
A
F
G
D
I
A
Y
V
M
Y
T
S
----
K
P
K
G
V
R
I
G
H
P
S
I
I
N
F
L
L
S
M
N
D
R
L
Q
V
T
-
T
E
T
Q
L
L
A
I
T
T
Y
A
F
D
I
S
I
L
E
L
L
I
P
L
M
Y
G
G
V
V
H
V
C
P
R
E
V
S
Q
D
G
I
Q
L
V
D
Y
L
N
A
K
S
I
N
V
L
Q
A
T
P
A
T
W
K
M
L
L
D
S
E
------
W
S
G
N
A
G
L
T
A
L
C
G
G
E
A
L
D
T
I
L
A
E
K
L
L
G
K
V
---
G
C
L
W
N
V
Y
G
P
T
E
T
T
V
W
S
S
A
A
R
I
T
-------
D
A
K
Y
I
D
L
G
E
P
L
A
N
T
Q
L
Y
V
L
D
E
Q
Q
R
L
V
P
P
G
V
M
G
E
L
W
I
G
G
D
G
L
A
V
D
Y
W
Q
R
P
E
L
T
D
A
Q
F
R
T
L
P
S
L
P
N
A
G
R
L
Y
R
T
G
D
K
V
C
L
R
T
D
G
R
L
T
H
H
G
R
L
D
F
Q
V
K
I
R
G
F
R
I
E
L
G
E
I
E
N
V
L
K
Q
I
D
G
I
T
D
A
V
V
L
V
K
T
------
T
G
D
N
D
Q
K
L
V
A
Y
V
T
G
-
Q
-
E
---
L
D
I
A
G
L
K
K
N
L
Q
I
H
L
P
A
Y
M
V
P
S
A
F
I
R
L
D
E
F
P
M
T
A
N
K
K
L
D
R
K
A
F
P
E
P
I
-
F
E
Q
-
S
N
D
Y
V
A
P
R
D
P
I
E
I
E
L
C
T
T
F
E
Q
I
L
S
V
K
R
V
G
I
H
D
D
F
F
E
L
G
G
H
S
L
L
A
V
K
L
V
N
H
L
-
K
K
A
F
-
G
T
E
L
S
V
A
L
L
A
Q
Y
S
T
V
E
R
L
G
E
I
I
R
E
N
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
HHSearch
54.70
40%
-36
- C1 -
5ES8
1
LGRA_BREPA
A:
[201-768]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
D
K
T
F
H
Q
L
F
E
Q
Q
V
E
M
T
P
D
H
V
A
V
V
D
R
G
Q
S
L
T
Y
K
Q
L
N
E
R
A
N
Q
L
A
H
H
L
R
G
K
G
V
K
P
D
D
Q
V
A
I
M
L
D
K
S
L
D
M
I
V
S
I
L
A
V
M
K
A
G
G
A
Y
V
P
I
D
P
D
Y
P
G
E
R
I
A
Y
M
L
A
D
S
S
A
A
I
L
L
T
N
A
-
L
----
H
E
--
E
K
A
N
G
A
C
-
D
I
I
D
V
H
--
D
P
D
S
Y
S
E
N
T
N
N
---
L
P
H
V
N
R
P
D
D
L
--------
V
Y
V
M
Y
T
S
G
S
T
G
L
A
K
G
V
M
I
E
H
H
N
L
V
N
F
C
E
W
Y
R
P
Y
F
G
V
T
P
A
D
K
A
L
V
Y
S
S
F
S
F
D
G
S
A
L
D
I
F
T
H
L
L
A
G
A
A
L
H
I
V
P
S
E
R
K
Y
D
L
D
A
L
N
D
Y
C
N
Q
E
G
I
T
I
S
Y
L
P
T
G
A
A
E
Q
F
M
Q
M
--------
D
N
Q
S
---
F
R
V
V
I
T
G
G
D
V
L
K
K
I
------
E
-
R
N
G
T
Y
K
L
Y
N
G
Y
G
P
T
E
C
T
I
M
V
T
M
F
-
E
V
D
--
K
------
P
Y
-
A
N
I
P
I
G
K
P
I
-
D
R
T
R
I
L
I
L
D
E
A
L
A
-
L
Q
P
I
G
V
A
G
E
L
F
I
V
G
E
G
L
G
R
G
Y
L
N
R
P
E
L
T
A
E
K
F
I
V
H
P
Q
---
T
G
E
R
M
Y
R
T
G
D
R
A
R
F
L
P
D
G
N
I
E
F
L
G
R
L
D
N
L
V
K
I
R
G
Y
R
I
E
P
G
E
I
E
P
F
L
M
N
H
P
L
I
E
L
T
T
V
-------
L
A
K
E
------
Q
A
D
-
G
R
-
K
Y
L
V
G
Y
Y
---
V
A
-----
P
EEI--
P
H
G
E
-----
L
R
E
W
L
G
N
D
L
P
D
Y
M
I
P
T
Y
F
V
H
M
K
A
F
P
L
T
A
N
G
K
V
D
R
R
A
L
P
D
V
---------------
V
A
P
T
D
E
L
E
Q
Q
L
A
Q
V
W
S
H
V
L
G
I
P
Q
M
G
I
D
D
H
F
L
E
R
G
G
D
S
I
K
V
M
Q
L
I
H
Q
L
K
N
--
I
G
L
S
L
R
Y
D
Q
L
F
T
H
P
T
I
R
Q
L
K
R
L
L
T
E
Q
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
53.96
39%
8
- C1 -
5ES8
1
LGRA_BREPA
B:
[166-766]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
K
A
D
R
D
F
Y
K
N
L
N
M
T
T
V
R
E
L
LAL
K
R
L
C
A
E
P
K
R
G
E
--
K
P
I
D
K
T
F
H
Q
L
F
E
Q
Q
V
E
M
T
P
D
H
V
A
V
V
D
R
G
Q
S
L
T
Y
K
Q
L
N
E
R
A
N
Q
L
A
H
H
L
R
G
K
G
V
K
P
D
D
Q
V
A
I
M
L
D
K
S
L
D
M
I
V
S
I
L
A
V
M
K
A
G
G
A
Y
V
P
I
D
P
D
Y
P
G
E
R
I
A
Y
M
L
A
D
S
S
A
A
I
L
L
T
N
A
L
H
----
E
E
--
K
A
N
G
A
-
C
-
D
I
I
D
V
H
--
D
P
D
S
Y
S
E
N
T
N
N
LP
H
V
N
R
P
D
D
---
L
--------
V
Y
V
M
Y
T
S
G
S
T
G
L
A
K
G
V
M
I
E
H
H
N
L
V
N
F
C
E
W
Y
R
P
Y
F
G
V
T
P
A
D
K
A
L
V
Y
S
S
F
S
F
D
G
S
A
L
D
I
F
T
H
L
L
A
G
A
A
L
H
I
V
P
S
E
R
K
Y
D
L
D
A
L
N
D
Y
C
N
Q
E
G
I
T
I
S
Y
L
P
T
G
A
A
E
Q
F
M
Q
M
--------
D
N
Q
S
---
F
R
V
V
I
T
G
G
D
V
L
--
K
K
I
E
R
-
N
G
T
----
Y
K
L
Y
N
G
Y
G
P
T
E
C
T
I
M
V
T
M
F
-------
E
V
--
D
K
P
Y
-
A
N
I
P
I
G
K
P
I
-
D
R
T
R
I
L
I
L
D
E
A
L
A
-
L
Q
P
I
G
V
A
G
E
L
F
I
V
G
E
G
L
G
R
G
Y
L
N
R
P
E
L
T
A
E
K
F
I
V
H
P
-
Q
--
T
G
E
R
M
Y
R
T
G
D
R
A
R
F
L
P
D
G
N
I
E
F
L
G
R
L
D
N
L
V
K
I
R
G
Y
R
I
E
P
G
E
I
E
P
F
L
M
N
H
P
L
I
E
L
T
T
V
-------
L
A
K
E
------
Q
-
A
D
G
R
-
K
Y
L
V
G
Y
Y
VAP
E
E
-----
I
-----
P
H
G
E
-----
L
R
E
W
L
G
N
D
L
P
D
Y
M
I
P
T
Y
F
V
H
M
K
A
F
P
L
T
A
N
G
K
V
D
R
R
A
L
P
D
V
----
Q
A
D
A
E
LL--
D
Y
V
A
P
T
D
E
L
E
Q
Q
L
A
Q
V
W
S
H
V
L
G
I
P
Q
M
G
I
D
D
H
F
L
E
R
G
G
D
S
I
K
V
M
Q
L
I
H
Q
L
-
K
N
-
I
G
L
S
L
R
Y
D
Q
L
F
T
H
P
T
I
R
Q
L
K
R
L
L
T
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
53.08
39%
-101
- C1 -
4GR5
3
?
D:
[71-467]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
P
A
G
A
C
V
H
E
L
F
E
A
Q
A
A
R
A
P
D
A
V
A
L
L
H
E
A
D
E
L
T
Y
G
A
L
N
E
R
A
N
R
L
A
H
R
L
V
G
L
G
V
A
P
G
T
L
V
G
V
H
L
E
R
G
F
D
M
V
V
A
L
L
A
V
L
K
A
G
G
G
Y
T
M
L
D
P
Q
F
P
V
E
R
L
A
L
S
L
E
D
T
G
A
P
L
L
V
T
S
R
-
P
----
L
S
--
G
R
L
T
G
-
T
-
T
T
L
Y
V
E
---
D
-------
A
G
--
N
L
A
T
G
V
G
P
E
D
V
--------
A
C
V
M
F
T
S
G
S
T
G
R
P
K
G
V
M
S
P
H
R
A
L
T
G
T
Y
L
G
-
Q
D
Y
A
G
F
G
P
D
E
V
F
L
Q
C
S
P
V
S
W
D
A
F
G
L
E
L
F
G
A
L
L
F
G
A
R
C
-
V
L
Q
S
G
Q
N
P
D
P
L
E
I
G
E
L
V
A
R
H
G
V
T
M
L
Q
L
S
A
S
L
F
N
F
L
V
D
E
V
P
-----
E
A
F
E
G
---
V
R
Y
A
I
T
G
G
E
P
A
S
V
P
H
V
A
K
-
A
R
R
D
H
P
A
L
R
L
G
N
G
Y
G
P
A
E
S
M
G
F
T
T
H
H
-
A
V
---
V
A
G
--
D
L
S
G
-
T
A
L
P
I
G
V
P
L
-
A
G
K
R
A
Y
V
L
D
D
D
L
K
-
P
A
A
N
G
A
L
G
E
L
Y
V
A
G
A
G
L
A
H
G
Y
V
S
R
P
A
L
T
A
E
R
F
V
A
D
P
F
A
GP
G
G
E
R
M
Y
R
T
G
D
L
A
R
R
R
A
D
G
V
L
E
Y
V
G
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
52.61
39%
14
- C1 -
5ES8
1
LGRA_BREPA
A:
[166-766]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
K
A
D
R
D
F
Y
K
N
L
N
M
T
T
V
R
E
L
L
A
L
K
R
L
C
A
E
P
K
R
G
E
--
K
P
I
D
K
T
F
H
Q
L
F
E
Q
Q
V
E
M
T
P
D
H
V
A
V
V
D
R
G
Q
S
L
T
Y
K
Q
L
N
E
R
A
N
Q
L
A
H
H
L
R
G
K
G
V
K
P
D
D
Q
V
A
I
M
L
D
K
S
L
D
M
I
V
S
I
L
A
V
M
K
A
G
G
A
Y
V
P
I
D
P
D
Y
P
G
E
R
I
A
Y
M
L
A
D
S
S
A
A
I
L
L
T
N
A
L
H
----
E
E
--
K
A
N
G
A
-
C
-
D
I
I
D
V
H
--
D
P
D
S
Y
S
E
N
T
N
N
LP
H
V
N
R
P
D
D
---
L
--------
V
Y
V
M
Y
T
S
G
S
T
G
L
A
K
G
V
M
I
E
H
H
N
L
V
N
F
C
E
W
Y
R
P
Y
F
G
V
T
P
A
D
K
A
L
V
Y
S
S
F
S
F
D
G
S
A
L
D
I
F
T
H
L
L
A
G
A
A
L
H
I
V
P
S
E
R
K
Y
D
L
D
A
L
N
D
Y
C
N
Q
E
G
I
T
I
S
Y
L
P
T
G
A
A
E
Q
F
M
Q
M
--------
D
N
Q
S
---
F
R
V
V
I
T
G
G
D
V
L
--
K
K
I
E
R
-
N
G
T
----
Y
K
L
Y
N
G
Y
G
P
T
E
C
T
I
M
V
T
M
F
-------
E
V
--
D
K
P
Y
-
A
N
I
P
I
G
K
P
I
-
D
R
T
R
I
L
I
L
D
E
A
L
A
-
L
Q
P
I
G
V
A
G
E
L
F
I
V
G
E
G
L
G
R
G
Y
L
N
R
P
E
L
T
A
E
K
F
I
V
H
P
-
Q
--
T
G
E
R
M
Y
R
T
G
D
R
A
R
F
L
P
D
G
N
I
E
F
L
G
R
L
D
N
L
V
K
I
R
G
Y
R
I
E
P
G
E
I
E
P
F
L
M
N
H
P
L
I
E
L
T
T
V
-------
L
A
K
E
------
Q
-
A
D
G
R
-
K
Y
L
V
G
Y
Y
V
AP
E
E
-----
I
-----
P
H
G
E
-----
L
R
E
W
L
G
N
D
L
P
D
Y
M
I
P
T
Y
F
V
H
M
K
A
F
P
L
T
A
N
G
K
V
D
R
R
A
L
P
D
V
---------------
V
A
P
T
D
E
L
E
Q
Q
L
A
Q
V
W
S
H
V
L
G
I
P
Q
M
G
I
D
D
H
F
L
E
R
G
G
D
S
I
K
V
M
Q
L
I
H
Q
L
-
K
N
-
I
G
L
S
L
R
Y
D
Q
L
F
T
H
P
T
I
R
Q
L
K
R
L
L
T
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
HHSearch
52.28
40%
-103
- C1 -
4GR5
3
?
A:
[73-467]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
G
A
C
V
H
E
L
F
E
A
Q
A
A
R
A
P
D
A
V
A
L
L
H
E
A
D
E
L
T
Y
G
A
L
N
E
R
A
N
R
L
A
H
R
L
V
G
L
G
V
A
P
G
T
L
V
G
V
H
L
E
R
G
F
D
M
V
V
A
L
L
A
V
L
K
A
G
G
G
Y
T
M
L
D
P
Q
F
P
V
E
R
L
A
L
S
L
E
D
T
G
A
P
L
L
V
T
S
R
-
P
----
L
S
--
G
R
L
T
G
-
T
-
T
T
L
Y
V
E
--
D
--------
A
G
--
N
L
A
T
G
V
G
P
E
D
V
--------
A
C
V
M
F
T
S
G
S
T
G
R
P
K
G
V
M
S
P
H
R
A
L
T
G
T
Y
L
G
Q
-
D
Y
A
G
F
G
P
D
E
V
F
L
Q
C
S
P
V
S
W
D
A
F
G
L
E
L
F
G
A
L
L
F
G
A
R
C
V
L
Q
S
G
Q
-
N
P
D
P
L
E
I
G
E
L
V
A
R
H
G
V
T
M
L
Q
L
S
A
S
L
F
N
F
L
V
D
E
V
P
-----
E
A
F
E
G
---
V
R
Y
A
I
T
G
G
E
P
A
S
V
P
H
V
A
K
-
A
R
R
D
H
P
A
L
R
L
G
N
G
Y
G
P
A
E
S
M
G
F
T
T
H
H
-
A
V
V
--
A
G
D
---
L
S
G
-
T
A
L
P
I
G
V
P
L
-
A
G
K
R
A
Y
V
L
D
D
D
L
K
-
P
A
A
N
G
A
L
G
E
L
Y
V
A
G
A
G
L
A
H
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Y
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S
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P
A
L
T
A
E
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F
V
A
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P
F
A
GP
G
G
E
R
M
Y
R
T
G
D
L
A
R
R
R
A
D
G
V
L
E
Y
V
G
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
HHSearch
52.22
24%
-5
- C1 -
4ZXJ
1
ENTF_ECOLI
A:
[2-1041]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
P
L
V
A
A
Q
P
G
I
W
M
A
E
K
L
S
E
L
P
S
A
W
S
V
A
H
Y
V
E
L
T
G
E
V
D
S
-
P
L
L
A
R
A
V
V
A
G
---
L
A
Q
A
D
T
L
R
M
R
F
-
T
E
D
N
-
G
E
V
W
--
Q
W
V
D
D
A
L
T
F
E
----
L
P
E
I
I
D
L
R
TNIDPH--
G
T
A
Q
A
L
M
Q
A
D
L
--------
Q
Q
D
L
R
V
D
S
G
K
P
L
V
F
H
Q
L
I
Q
V
A
D
N
R
W
Y
W
Y
Q
R
Y
H
H
L
L
V
D
G
F
S
F
P
A
I
T
R
Q
----
I
A
N
I
Y
C
T
------
W
L
R
GE
P
-----
T
P-
A
S
P
F
-
T
P
F
A
D
V
V
E
E
Y
Q
Q
Y
R
E
S
E
A
W
Q
R
D
A
A
F
W
A
E
Q
R
R
Q
L
P
P
P
A
S
L
S
P
A
P
L
P
G
R
S
A
S
A
D
I
L
R
L
K
L
E
F
T
D
G
--
E
F
R
Q
L
A
T
Q
L
S
G
V
Q
R
T
D
L
A
L
A
L
A
A
L
W
L
G
R
L
C
N
R
M
D
Y
A
A
G
F
I
F
M
R
R
L
G
--
S
A
A
L
T
A
T
G
P
V
L
N
V
L
P
L
G
I
H
I
A
A
Q
E
T
L
P
E
L
A
T
R
L
A
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L
K
K
M
R
R
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Y
D
A
E
Q
I
V
R
D
S
G
R
--
A
A
G
D
E
P
L
F
G
-
P
V
L
------------
N
I
K
V
F
D
Y
------
Q
L
D
---------------
I
-----
P
D
V
Q
A
Q
--
T
--
H
-
T
L
A
-
T
G
---
P
V
N
D
L
E
L
-
A
L
F
P
-
D
V
H
G
D
L
S
I
E
I
L
A
N
K
Q
R
Y
D
E
P
T
L
I
Q
H
A
E
R
L
K
M
L
I
A
Q
F
A
A
D
P
A
L
L
C
G
D
V
D
I
M
L
P
G
E
Y
A
Q
-
L
A
Q
-
L
N
A
T
Q
V
E
I
P
--
E
T
T
L
S
A
L
V
A
E
Q
A
A
K
T
P
D
A
P
A
L
A
D
A
R
Y
L
F
S
Y
R
E
M
R
E
Q
V
V
A
L
A
N
L
L
R
E
R
G--
V
K
P
G
D
S
V
A
V
A
L
P
R
S
V
F
L
T
L
A
L
H
A
I
V
E
A
G
A
A
W
L
P
L
D
T
G
Y
P
D
D
R
L
K
M
M
L
E
D
A
R
P
S
L
L
I
T
T
D
D
Q
L
P
R
F
S
D
V
P
N
--
L
T
S
L
C
Y
N
A
--
P
L
T
P
Q
G
S
A
P
L
Q
L
S
Q
P
H
H
T
A
Y
I
I
F
T
S
G
S
T
G
R
P
K
G
V
M
V
G
Q
T
A
I
V
N
R
L
L
W
M
Q
N
H
Y
P
L
T
-
G
E
D
V
V
A
Q
K
T
P
C
S
F
D
V
S
V
W
E
F
F
W
P
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I
A
G
A
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L
V
M
A
E
P
E
A
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D
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L
A
M
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Q
F
F
A
E
Y
G
V
T
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M
L
A
A
F
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A
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L
T
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Q
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Q
S
C
A
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Q
V
F
C
S
G
E
A
L
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A
D
L
C
R
E
W
Q
Q
L
T
--
G
A
P
L
H
N
L
Y
G
P
T
E
A
A
V
D
V
S
W
Y
P
A
F
G
E
E
L
A
Q
V
R
G
S
S
V
P
I
G
Y
P
V
W
N
T
G
L
R
I
L
D
A
M
M
H
P
V
P
P
G
V
A
G
D
L
Y
L
T
G
I
Q
L
A
Q
G
Y
L
G
R
P
D
L
T
A
S
R
F
I
A
D
P
F
A
-
P
G
E
R
M
Y
R
T
G
D
V
A
R
W
L
D
N
G
A
V
E
Y
L
G
R
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D
D
Q
L
K
I
R
G
Q
R
I
E
L
G
E
I
D
R
V
M
Q
A
L
P
D
V
E
Q
A
V
T
H
A
C
V
INQAAA
T
G
G
D
A
R
Q
L
V
G
Y
L
V
S
-
Q
-
S
GLP
L
D
T
S
A
L
Q
A
Q
L
R
E
T
L
P
P
H
M
V
P
V
V
L
L
Q
L
P
Q
L
P
L
S
A
N
G
K
L
D
R
K
A
L
P
L
P
E
-
L
K
A
-
Q
A
P
G
R
A
P
K
A
G
S
E
T
I
I
A
A
A
F
S
S
L
L
G
C
D
V
Q
D
A
D
A
D
F
F
A
L
G
G
H
S
L
L
A
M
K
L
A
A
Q
L
-
S
R
Q
V
-
A
R
Q
V
T
P
G
Q
V
M
V
A
S
T
V
A
K
L
A
T
I
I
D
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
52.21
39%
-99
- C1 -
4GR5
2
?
C:
[71-467]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
P
A
G
A
C
V
H
E
L
F
E
A
Q
A
A
R
A
P
D
A
V
A
L
L
H
E
A
D
E
L
T
Y
G
A
L
N
E
R
A
N
R
L
A
H
R
L
V
G
L
G
V
A
P
G
T
L
V
G
V
H
L
E
R
G
F
D
M
V
V
A
L
L
A
V
L
K
A
G
G
G
Y
T
M
L
D
P
Q
F
P
V
E
R
L
A
L
S
L
E
D
T
G
A
P
L
L
V
T
S
R
-
P
----
L
S
--
G
R
L
T
G
-
T
-
T
T
L
Y
V
E
---
D
------
P
A
G
--
N
L
A
T
G
V
G
P
E
D
V
--------
A
C
V
M
F
T
S
G
S
T
G
R
P
K
G
V
M
S
P
H
R
A
L
T
G
T
Y
L
G
-
Q
D
Y
A
G
F
G
P
D
E
V
F
L
Q
C
S
P
V
S
W
D
A
F
G
L
E
L
F
G
A
L
L
F
G
A
R
C
-
V
L
Q
S
G
Q
N
P
D
P
L
E
I
G
E
L
V
A
R
H
G
V
T
M
L
Q
L
S
A
S
L
F
N
F
L
V
D
E
V
P
-----
E
A
F
E
G
---
V
R
Y
A
I
T
G
G
E
P
A
S
V
P
H
V
A
K
-
A
R
R
D
H
P
A
L
R
L
G
N
G
Y
G
P
A
E
S
M
G
F
T
T
H
H
-
A
V
---
V
A
G
--
D
L
S
G
-
T
A
L
P
I
G
V
P
L
-
A
G
K
R
A
Y
V
L
D
D
D
L
K
-
P
A
A
N
G
A
L
G
E
L
Y
V
A
G
A
G
L
A
H
G
Y
V
S
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P
A
L
T
A
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V
A
D
P
F
A
GP
G
G
E
R
M
Y
R
T
G
D
L
A
R
R
R
A
D
G
V
L
E
Y
V
G
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
66
Fugue
52.16
27%
-68
- C1 -
4DG9
1
?
A:
[18-604]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
S
L
L
D
L
Y
A
H
P
T
V
V
A
R
F
S
E
M
A
A
L
H
P
H
R
E
A
I
R
D
R
F
G
S
V
D
Y
R
Q
L
L
D
S
A
E
Q
L
S
D
Y
L
L
E
H
Y
P
Q
P
G
V
C
L
G
V
Y
G
E
Y
S
R
E
S
I
T
C
L
L
A
I
L
L
S
G
H
H
Y
L
Y
I
D
L
K
Q
P
A
A
W
N
A
E
L
C
R
Q
V
D
C
R
L
I
L
D
C
S
-------
T
--
T
P
T
P
A
-
N
-
G
L
P
C
V
P
--
V
R
H
L
P
A
A
P
A
S
V
--
A
R
-
P
C
F
A
A
D
Q
I
--------
A
Y
I
N
F
S
S
G
T
T
G
R
P
K
A
I
A
C
T
H
A
G
I
T
R
L
C
L
G
Q
S
F
-
L
A
F
A
P
Q
M
R
F
L
V
N
S
P
L
S
F
D
A
A
T
L
E
I
W
G
A
L
L
N
G
G
C
C
V
L
N
D
L
G
-
P
L
D
P
G
V
L
R
Q
L
I
G
E
R
G
A
D
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A
W
L
T
A
S
L
F
N
T
L
V
D
L
-----
D
P
D
C
L
G
G
---
L
R
Q
L
L
T
G
G
D
I
L
S
V
P
H
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R
R
-
A
L
L
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L
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Y
G
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--
D
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D
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A
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R
A
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E
L
P
Y
R
G-
R
L
L
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A
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R
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D
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A
R
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D
E
Q
G
R
L
R
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I
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G
D
G
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L
N
G
Y
R
L
D
L
P
A
L
E
Q
R
F
R
R
Q
P
G
I
L
D
C
A
L
-------
L
V
R
E
------
R
N
G
-
V
K
-
Q
L
L
C
A
W
T
----------
G
-----
K
A
D
A
-----
S
P
Q
A
L
L
R
Q
L
P
T
W
Q
R
P
H
A
C
V
R
V
E
A
L
P
L
T
A
H
G
K
L
D
R
A
A
L
L
R
R
----
L
------------
E
L
D
P
D
Q
R
G
C
A
Q
L
W
S
E
L
L
G
---
C
E
V
G
A
D
F
F
L
C
G
G
N
S
L
L
A
L
Q
L
V
A
L
C
Q
S
A
G
A
G
A
N
L
G
L
A
D
L
Q
A
N
S
R
L
D
Q
F
S
R
L
L
R
S
H
G
L
A
P
E
R
L
L
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
52.01
38%
-24
- C1 -
1AMU
4
GRSA_ANEMI
B:
[17-530]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
T
H
E
E
---
E
Q
Y
L
F
A
V
N
N
T
K
A
E
Y
P
R
D
K
T
I
H
Q
L
F
E
E
Q
V
S
K
R
P
N
N
V
A
I
V
C
E
N
E
Q
L
T
Y
H
E
L
N
V
K
A
N
Q
L
A
R
I
F
I
E
K
G
I
G
K
D
T
L
V
G
I
M
M
E
K
S
I
D
L
F
I
G
I
L
A
V
L
K
A
G
G
A
Y
V
P
I
D
I
E
Y
P
K
E
R
I
Q
Y
I
L
D
D
S
Q
A
R
M
L
L
T
Q
K
-
H
LVHL
I
H
--
N
-
Q
F
N
-
G
-
Q
V
E
I
F
E
--
E
D
T
I
K
I
R
E
G
T
N
--
L
H
-
V
P
S
K
S
T
D
L
--------
A
Y
V
I
Y
T
-----
N
P
K
G
T
M
L
E
H
K
G
I
S
N
L
K
V
F
F
E
N
S
L
N
V
T
E
K
D
R
I
G
Q
F
A
S
I
S
F
D
A
S
V
W
E
M
F
M
A
L
L
T
G
A
S
L
Y
I
I
L
K
D
T
I
N
D
F
V
K
F
E
Q
Y
I
N
Q
K
E
I
T
V
I
T
L
P
P
----
T
Y
V
V
H
L
D
P
E
-
R
I
---
L
S
---
I
Q
T
L
I
T
A
G
S
A
T
S
P
S
L
V
N
K
-
W
K
E
---
K
V
T
Y
I
N
A
Y
G
P
T
E
T
T
I
C
A
T
T
W
-
V
A
T
--
K
E
T
--
I
G
H
S
---
V
P
I
G
A
P
I
-
Q
N
T
Q
I
Y
I
V
D
E
N
L
Q
-
L
K
S
V
G
E
A
G
E
L
C
I
G
G
E
G
L
A
R
G
Y
W
K
R
P
E
L
T
S
Q
K
F
V
D
N
P
F
V
--
P
G
E
K
L
Y
K
T
G
D
Q
A
R
W
L
S
D
G
N
I
E
Y
L
G
R
I
D
N
Q
V
K
I
R
G
H
R
V
E
L
E
E
V
E
S
I
L
L
K
H
M
Y
I
S
E
T
A
V
-------
S
V
H
K
------
D
-
H
-
Q
E
Q
P
Y
L
C
A
Y
F
V
S
E
K
H
-----
I
-----
P
L
E
Q
-----
L
R
Q
F
S
S
E
E
L
P
T
Y
M
I
P
S
Y
F
I
Q
L
D
K
M
P
L
T
S
N
G
K
I
D
R
K
Q
L
P
E
P
DLTF-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
51.82
39%
-98
- C1 -
4GR5
3
?
A:
[71-467]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
P
A
G
A
C
V
H
E
L
F
E
A
Q
A
A
R
A
P
D
A
V
A
L
L
H
E
A
D
E
L
T
Y
G
A
L
N
E
R
A
N
R
L
A
H
R
L
V
G
L
G
V
A
P
G
T
L
V
G
V
H
L
E
R
G
F
D
M
V
V
A
L
L
A
V
L
K
A
G
G
G
Y
T
M
L
D
P
Q
F
P
V
E
R
L
A
L
S
L
E
D
T
G
A
P
L
L
V
T
S
R
-
P
----
L
S
--
G
R
L
T
G
-
T
-
T
T
L
Y
V
E
---
D
-------
A
G
--
N
L
A
T
G
V
G
P
E
D
V
--------
A
C
V
M
F
T
S
G
S
T
G
R
P
K
G
V
M
S
P
H
R
A
L
T
G
T
Y
L
G
-
Q
D
Y
A
G
F
G
P
D
E
V
F
L
Q
C
S
P
V
S
W
D
A
F
G
L
E
L
F
G
A
L
L
F
G
A
R
C
-
V
L
Q
S
G
Q
N
P
D
P
L
E
I
G
E
L
V
A
R
H
G
V
T
M
L
Q
L
S
A
S
L
F
N
F
L
V
D
E
V
P
-----
E
A
F
E
G
---
V
R
Y
A
I
T
G
G
E
P
A
S
V
P
H
V
A
K
-
A
R
R
D
H
P
A
L
R
L
G
N
G
Y
G
P
A
E
S
M
G
F
T
T
H
H
-
A
V
---
V
A
G
--
D
L
S
G
-
T
A
L
P
I
G
V
P
L
-
A
G
K
R
A
Y
V
L
D
D
D
L
K
-
P
A
A
N
G
A
L
G
E
L
Y
V
A
G
A
G
L
A
H
G
Y
V
S
R
P
A
L
T
A
E
R
F
V
A
D
P
F
A
GP
G
G
E
R
M
Y
R
T
G
D
L
A
R
R
R
A
D
G
V
L
E
Y
V
G
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
51.03
39%
-41
- C1 -
4D4G
4
?
A:
[31-514]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
I
H
Q
L
F
E
T
Q
V
E
R
T
P
E
A
V
A
V
L
S
E
Q
G
Q
L
T
Y
E
E
L
N
T
K
A
N
Q
L
A
H
Y
L
R
T
L
G
V
K
S
E
T
L
V
G
V
C
V
D
R
S
L
E
M
V
I
G
L
L
A
I
L
K
A
G
G
A
Y
V
P
L
D
P
T
Y
P
R
E
R
L
T
Y
M
V
Q
D
A
Q
I
S
V
L
V
T
Q
T
-
Q
----
W
S
NL
I
S
D
Y
Q
-
G
-
Q
V
I
C
L
D
SQ
W
A
K
I
A
S
Y
S
Q
E
N
--
L
V
N
T
-
V
N
P
E
N
L
--------
A
Y
V
I
Y
T
S
G
S
T
G
K
P
K
G
V
M
I
E
H
Q
S
L
V
N
F
T
K
L
A
I
A
Q
Y
Q
I
T
T
S
D
R
T
L
Q
F
V
S
I
S
F
D
V
A
A
E
E
I
Y
V
T
L
C
S
G
A
T
L
I
L
R
T
E
E
M
I
S
S
I
P
S
F
V
Q
K
S
Q
D
W
Q
I
T
V
W
S
L
P
T
A
Y
W
H
L
L
V
N
E
L
V
K
S
-
K
I
A
L
P
D
S
---
L
R
L
V
I
I
G
G
E
R
V
Q
P
E
L
V
R
M
W
F
K
N
V
G
N
F
P
E
L
I
N
V
Y
G
P
T
E
G
T
I
A
V
S
L
C
-
R
L
S
QL
T
E
S
--
Q
R
N
R
-
T
E
I
P
I
G
K
S
L
G
E
N
I
S
V
Y
V
L
D
E
T
L
K
-
T
V
P
P
E
T
P
G
E
I
Y
I
G
G
T
A
L
A
R
G
Y
L
N
R
P
E
L
T
A
Q
K
F
I
Q
D
P
F
S
--
P
S
E
R
L
Y
K
T
G
D
L
G
R
Y
L
A
D
G
N
L
E
Y
L
G
R
V
D
H
Q
V
K
I
N
G
F
R
V
E
L
G
E
I
E
T
V
L
L
Q
H
H
Q
V
A
Q
A
V
V
-------
I
D
R
---------------
R
L
V
A
Y
L
---
V
P
-----
H
-----
S
T
E
E
N
L
T
V
T
L
Q
Q
F
L
K
N
K
L
P
S
Y
M
I
P
A
T
F
V
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
48.12
39%
-50
- C1 -
4D4H
1
?
A:
[31-436]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
I
H
Q
L
F
E
T
Q
V
E
R
T
P
E
A
V
A
V
L
S
E
Q
G
Q
L
T
Y
E
E
L
N
T
K
A
N
Q
L
A
H
Y
L
R
T
L
G
V
K
S
E
T
L
V
G
V
C
V
D
R
S
L
E
M
V
I
G
L
L
A
I
L
K
A
G
G
A
Y
V
P
L
D
P
T
Y
P
R
E
R
L
T
Y
M
V
Q
D
A
Q
I
S
V
L
V
T
Q
T
-
Q
----
W
S
NL
I
S
D
Y
Q
-
G
-
Q
V
I
C
L
D
SQ
W
A
K
I
A
S
Y
S
Q
E
N
--
L
V
N
T
-
V
N
P
E
N
L
--------
A
Y
V
I
Y
T
S
G
S
T
G
K
P
K
G
V
M
I
E
H
Q
S
L
V
N
F
T
K
L
A
I
A
Q
Y
Q
I
T
T
S
D
R
T
L
Q
F
V
S
I
S
F
D
V
A
A
E
E
I
Y
V
T
L
C
S
G
A
T
L
I
L
R
T
E
E
M
I
S
S
I
P
S
F
V
Q
K
S
Q
D
W
Q
I
T
V
W
S
L
P
T
A
Y
W
H
L
L
V
N
E
L
V
K
S
-
K
I
A
L
P
D
S
---
L
R
L
V
I
I
G
G
E
R
V
Q
P
E
L
V
R
M
W
F
K
N
V
G
N
F
P
E
L
I
N
V
Y
G
P
T
E
G
T
I
A
V
S
L
C
-
R
L
S
QL
T
E
S
--
Q
R
N
R
-
T
E
I
P
I
G
K
S
L
G
E
N
I
S
V
Y
V
L
D
E
T
L
K
-
T
V
P
P
E
T
P
G
E
I
Y
I
G
G
T
A
L
A
R
G
Y
L
N
R
P
E
L
T
A
Q
K
F
I
Q
D
P
F
S
--
P
S
E
R
L
Y
K
T
G
D
L
G
R
Y
L
A
D
G
N
L
E
Y
L
G
R
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------