@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 : PF00092_ITAL_M: (2014-08-24 )
MSFRIAGPRLLLLGLQLFAKAWSYNLDTRPTQSFLAQAGRHFGYQVLQIEDGVVVGAPGEGDNTGGLYHCRTSSEFCQPVSLHGSNHTSKYLGMTLATDAAKGSLLACDPGLSRTCDQNTYLSGLCYLFPQSLEGPMLQNRPAYQECMKGKVDLVFLFDGSQSLDRKDFEKILEFMKDVMRKLSNTSYQFAAVQFSTDCRTEFTFLDYVKQNKNPDVLLGSVQPMFLLTNTFRAINYVVAHVFKEESGARPDATKVLVIITDGEASDKGNISAAHDITRYIIGIGKHFVSVQKQKTLHIFASEPVEEFVKILDTFEKLKDLFTDLQRRIYAIEGTNRQDLTSFNMELSSSGISADLSKGHAVVGAVGAKDWAGGFLDLREDLQGATFVGQEPLTSDVRGGYLGYTVAWMTSRSSRPLLAAGAPRYQHVGQVLLFQAPEAGGRWNQTQKIEGTQIGSYFGGELCSVDLDQDGEAELLLIGAPLFFGEQRGGRVFTYQRRQSLFEMVSELQGDPGYPLGRFGAAITALTDINGDRLTDVAVGAPLEEQGAVYIFNGKPGGLSPQPSQRIQGAQVFPGIRWFGRSIHGVKDLGGDRLADVVVGAEGRVVVLSSRPVVDVVTELSFSPEEIPVHEVECSYSAREEQKHGVKLKACFRIKPLTPQFQGRLLANLSYTLQLDGHRMRSRGLFPDGSHELSGNTSITPDKSCLDFHFHFPICIQDLISPINVSLNFSLLEEEGTPRDQKGRAMQPILRPSIHTVTKEIPFEKNCGEDKKCEANLTLSSPARSGPLRLMSSASLAVEWTLSNSGEDAYWVRLDLDFPRGLSFRKVEMLQPHSRMPVSCEELTEGSSLLTKTLKCNVSSPIFKAGQEVSLQVMFNTLLNSSWEDFVELNGTVHCENENSSLQEDNSAATHIPVLYPVNILTKEQENSTLYISFTPKGPKTQQVQHVYQVRIQPSAYDHNMPTLEALVGVPWPHSEDPITYTWSVQTDPLVTCHSEDLKRPSSEAEQPCLPGVQFRCPIVFRREILIQVTGTVELSKEIKASSTLSLCSSLSVSFNSSKHFHLYGSKASEAQVLVKVDLIHEKEMLHVYVLSGIGGLVLLFLIFLALYKVGFFKRNLKEKMEADGGVPNGSPPEDTDPLAVPGEETKDMGCLEPSGRVTRTKA
Atome Classification :
(23 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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MSFRIAG
P
R
L
L
L
L
G
L
Q
L
F
A
K
A
WSYNLDTR
P
T
Q
S
F
L
A
Q
A
G
R
H
FG
Y
Q
V
L
Q
IED
G
V
V
VGAPGEGDNTG
G
L
Y
H
CR
T
S
S
EFCQ
P
V
SLHGSNHT
S
K
Y
L
G
M
T
L
ATDAAKG
S
L
L
ACDPGLSRTCDQN
T
Y
L
S
G
L
C
Y
LFPQSLEGPMLQN
R
P
A
Y
Q
E
C
MKGK
V
D
L
V
F
L
FDGSQSL
D
R
K
D
F
E
K
I
L
E
F
M
K
D
V
M
R
K
LSNTS
Y
Q
F
A
A
V
Q
FSTDCRTE
F
T
F
L
D
Y
V
KQNKNP
D
V
L
LGSV
Q
P
M
F
L
L
T
N
T
F
R
A
I
N
Y
V
V
A
H
V
F
K
EESGARPDA
T
K
V
L
V
I
I
TDGEASDKGNI
S
A
A
H
D
I
T
R
Y
I
I
G
I
G
K
H
F
V
S
VQK
Q
K
T
L
H
I
FASE
P
V
E
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
D
L
Q
R
R
I
Y
A
IEGT
N
R
Q
D
L
T
S
F
N
M
E
LSSSGISADLSKG
H
A
V
V
G
AVG
A
K
D
WAG
G
F
L
D
L
R
E
DLQGATFVGQEPLTSDVRGG
Y
L
G
Y
T
V
A
W
M
TSRSSR
P
L
LAAGA
P
R
Y
Q
H
V
G
Q
V
L
L
F
QAPEAGGRWNQ
T
Q
KIEG
T
Q
IGSYFGG
E
L
C
S
V
DLDQDGEA
E
L
L
L
I
GAP
L
F
F
GEQRG
G
R
V
F
T
Y
Q
R
R
Q
S
L
F
E
M
V
S
E
LQGDPGYPL
G
R
F
G
A
A
I
T
A
L
TDINGD
R
L
T
D
V
AVGAPLEEQ
G
A
V
Y
I
FNGKPGGLSPQ
P
S
QRIQGAQVF
P
G
I
R
W
F
G
RSIH
G
V
K
DLGG
D
R
L
A
D
V
V
VGAE
G
R
V
V
V
L
SSR
P
V
V
D
V
V
T
E
LSFSPEEI
P
V
H
E
V
E
CSYSA
R
E
E
Q
KH
G
V
K
L
K
A
C
F
RIKPL
T
P
Q
FQ
G
R
L
L
AN
L
S
Y
T
L
Q
LDGH
R
M
RSRGLFPDGSHELSGNTSITPDK
S
C
L
D
F
HFH
F
P
I
C
I
Q
D
L
I
S
PI
N
V
S
L
N
F
S
L
LEEEGTPRDQKGRAMQPILRP
S
I
H
T
V
T
K
EIPFEKNCGEDKKCEAN
L
T
LSSPARSGP
L
R
L
MSSA
S
L
A
V
E
W
T
LSNSGE
D
A
Y
W
V
R
L
DLDFPRGLS
F
R
K
V
E
MLQPHSRMPV
S
C
E
E
LTE
G
S
S
L
L
T
K
T
LKCNVS
S
P
I
F
KAG
Q
E
V
S
L
Q
V
M
F
N
T
L
LNS
S
W
E
D
F
V
ELN
G
T
V
H
CENENSSLQEDNSAATH
I
P
V
L
Y
P
V
N
I
L
T
KEQEN
S
T
L
Y
I
S
F
TPKGP
K
T
Q
Q
V
Q
H
V
Y
Q
V
R
IQPSAYDHNM
P
T
L
E
A
L
VGVPWPHSED
P
I
T
Y
T
W
SVQTD
P
L
V
T
C
H
S
E
DLKRPSSEAEQPCLPGV
Q
F
RC
P
I
V
F
R
R
E
I
L
I
Q
V
T
G
T
V
E
L
S
K
E
IKA
S
S
T
L
S
L
C
S
S
L
S
V
SFNSS
K
H
F
H
L
YGSKAS
E
A
Q
V
L
V
K
V
D
L
IHEK
E
M
L
H
V
Y
V
LSG
I
G
G
L
V
L
L
F
L
I
F
L
A
L
Y
K
V
G
F
F
K
R
N
L
K
E
K
M
EADGGVPNGSPPEDTDPLAVPGEETKDMGCLEPSGRVTRTKA
26
PsiBlast_CBE
47.94
73%
-100
- C4 -
1RD4
1
ITAL_HUMAN
B:
[8-191]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
E
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
47.88
73%
-98
- C4 -
1RD4
2
ITAL_HUMAN
C:
[8-191]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
E
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
PsiBlast_CBE
47.81
73%
-100
- C4 -
3F78
4
ITAL_HUMAN
B:
[2-181]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
47.80
73%
-106
- C4 -
3F78
1
ITAL_HUMAN
C:
[2-181]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
47.79
73%
-98
- C4 -
3F78
2
ITAL_HUMAN
A:
[2-181]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
47.76
73%
-101
- C4 -
1RD4
1
ITAL_HUMAN
A:
[8-191]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
E
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
47.53
73%
-97
- C4 -
1RD4
2
ITAL_HUMAN
D:
[8-191]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
E
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
47.43
73%
-99
- C4 -
4IXD
1
?
A:
[5-186]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
47.39
73%
-96
- C4 -
1XUO
1
ITAL_HUMAN
A:
[5-185]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
47.27
73%
-94
- C4 -
1XDD
2
ITAL_HUMAN
A:
[5-186]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
47.25
73%
-96
- C4 -
3BQM
2
ITAL_HUMAN
B:
[1-182]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
47.20
73%
-95
- C4 -
3BQM
2
ITAL_HUMAN
C:
[1-182]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
47.19
73%
-97
- C4 -
3E2M
2
ITAL_HUMAN
A:
[4-185]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
47.15
73%
-95
- C4 -
1XDD
2
ITAL_HUMAN
B:
[5-186]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
47.12
73%
-96
- C4 -
1XDG
2
ITAL_HUMAN
B:
[5-186]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
47.09
73%
-100
- C4 -
1CQP
2
ITAL_HUMAN
A:
[1-182]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
47.07
73%
-102
- C4 -
3M6F
1
ITAL_HUMAN
A:
[6-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
47.06
73%
-98
- C4 -
1CQP
2
ITAL_HUMAN
B:
[1-182]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
46.95
73%
-99
- C4 -
2ICA
1
ITAL_HUMAN
A:
[6-182]
-------------------------------------------------------------------------------------------------------------------------------------------------------
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
46.92
73%
-97
- C4 -
3BQN
2
ITAL_HUMAN
B:
[1-182]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
46.90
73%
-101
- C4 -
2O7N
1
ITAL_HUMAN
A:
[6-183]
-------------------------------------------------------------------------------------------------------------------------------------------------------
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
46.86
73%
-95
- C4 -
3BQN
2
ITAL_HUMAN
C:
[1-182]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
46.74
73%
-92
- C4 -
3E2M
2
ITAL_HUMAN
B:
[4-185]
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
-
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------