@TOME V2.3
(Nov 2016)
Ref.
-
-
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 : Rv1463: (2016-05-02 )
MTILEIKDLHVSVENPAEADHEIPILRGVDLTVKSGETHALMGPNGSGKSTLSYAIAGHPKYHVTSGTITLDGADVLAMSIDERARAGLFLAMQYPVEVPGVSMSNFLRSAATAIRGEPPKLRHWVKEVKAAMAALDIDPAFAERSVNEGFSGGEKKRHEILQLELLKPKIAILDETDSGLDVDALRVVSEGVNRYAESQHGGILLITHYTRILRYIHPEYVHVFVGGRIVESGGSELADELDQNGYVRFSPASGRYPHQPAPTGA
Atome Classification :
(20 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....--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
T
I
---
L
E
I
K
D
L
H
V
S
VENPAEADHEI
P
I
L
RG
V
D
L
T
V
KSGE
T
H
A
L
MGPNGSGK
S
T
-
L
S
Y
A
IAGHP
K
Y
H
--
V
TS
G
T
I
T
LDG
A
D
V
L
A
M
S
-
I
---
D
E
---
R
ARA
G
L
F
L
A
M
QYP--V--EVPG
V
S
M
S
N
F
L
R
S
A
A
T
AI---RGE
P
P
K
L
R
H
W
V
K
E
V
-
K
A
A
M
A
ALDI
D
--
P
-
A
F
A
E
R
S
VNEG---FSGG
E
K
K
R
H
E
I
L
Q
L
E
LLK
P
K
I
A
I
L
DETDSGL
D
V
D
A
L
R
V
V
S
E
G
V
N
R
Y
A
ESQHG
G
I
L
L
I
T
H
Y
T
R
I
L
R
Y
IHP
E
Y
V
H
V
F
VG
G
R
I
VESG
G
S
E
L
A
D
E
LDQNG
Y
V
R
FSPASGRYPHQPAPTGA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
97.11
55%
-113
- C1 -
2D2E
3
?
A:
[2-239]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
Q
---
L
E
I
R
D
L
W
A
S
I
D
G
E
T
-------
I
L
K
G
V
N
L
V
V
P
K
G
E
V
H
A
L
M
G
P
N
G
A
G
K
S
T
-
L
G
K
I
L
A
G
D
P
E
Y
T
--
V
E
R
G
E
I
L
L
D
G
E
N
I
L
E
L
S
-
P
---
D
E
---
R
A
R
K
G
L
F
L
A
F
Q
Y
P
--
V
---
V
P
G
V
T
I
A
N
F
L
R
L
A
L
Q
A
K
---
L
G
R
E
V
G
V
A
E
F
W
T
K
V
-
K
K
A
L
E
L
L
D
W
D
--
E
-
S
Y
L
S
R
Y
L
N
E
-------
G
E
K
K
R
N
E
I
L
Q
L
L
V
L
E
P
T
Y
A
V
L
D
E
T
D
S
G
L
D
I
D
A
L
K
V
V
A
R
G
V
N
A
M
R
G
P
N
F
G
A
-
L
V
I
T
H
Y
Q
R
I
L
N
Y
I
Q
P
D
K
V
H
V
M
M
D
G
R
V
V
A
T
G
G
P
E
L
A
L
E
L
E
A
K
G
Y
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
95.95
55%
-109
- C1 -
2D2F
5
?
A:
[2-239]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
Q
---
L
E
I
R
D
L
W
A
S
I
D
G
E
T
-------
I
L
K
G
V
N
L
V
V
P
K
G
E
V
H
A
L
M
G
P
N
G
A
G
K
S
T
-
L
G
K
I
L
A
G
D
P
E
Y
T
--
V
E
R
G
E
I
L
L
D
G
E
N
I
L
E
L
S
-
P
---
D
E
---
R
A
R
K
G
L
F
L
A
F
Q
Y
P
--
V
--
E
V
P
G
V
T
I
A
N
F
L
R
L
A
L
Q
A
K
---
L
G
R
E
V
G
V
A
E
F
W
T
K
V
-
K
K
A
L
E
L
L
D
W
D
--
E
-
S
Y
L
S
R
Y
L
N
E
G
---
F
S
G
G
E
K
K
R
N
E
I
L
Q
L
L
V
L
E
P
T
Y
A
V
L
D
E
T
D
S
G
L
D
I
D
A
L
K
V
V
A
R
G
V
N
A
M
R
G
P
N
F
G
A
-
L
V
I
T
H
Y
Q
R
I
L
N
Y
I
Q
P
D
K
V
H
V
M
M
D
G
R
V
V
A
T
G
G
P
E
L
A
L
E
L
E
A
K
G
Y
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
92.04
50%
-110
- C1 -
5AWF
-
SUFC_ECOLI
C:
[1-241]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
---
L
S
I
K
D
L
H
V
S
V
E
D
K
A
-------
I
L
R
G
L
S
L
D
V
H
P
G
E
V
H
A
I
M
G
P
N
G
S
G
K
S
T
-
L
S
A
T
L
A
G
R
E
D
Y
E
--
V
T
G
G
T
V
E
F
K
G
K
D
L
L
A
L
S
-
P
---
E
D
---
R
A
G
E
G
I
F
M
A
F
Q
Y
P
--
V
--
E
I
P
G
V
S
N
Q
F
F
L
Q
T
A
L
N
A
V
R
S
Y
R
G
Q
E
T
L
D
R
F
D
F
Q
D
L
M
E
E
K
I
A
L
L
K
M
P
--
E
-
D
L
L
T
R
S
V
N
V
G
---
F
S
G
G
E
K
K
R
N
D
I
L
Q
M
A
V
L
E
P
E
L
C
I
L
D
E
S
D
S
G
L
D
I
D
A
L
K
V
V
A
D
G
V
N
S
L
R
D
G
K
R
-
S
F
I
I
V
T
H
Y
Q
R
I
L
D
Y
I
K
P
D
Y
V
H
V
L
Y
Q
G
R
I
V
K
S
G
D
F
T
L
V
K
Q
L
E
E
Q
G
Y
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
91.91
50%
-108
- C1 -
2ZU0
1
SUFC_ECOLI
C:
[20-260]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
---
L
S
I
K
D
L
H
V
S
V
E
D
K
A
-------
I
L
R
G
L
S
L
D
V
H
P
G
E
V
H
A
I
M
G
P
N
G
S
G
K
S
T
-
L
S
A
T
L
A
G
R
E
D
Y
E
--
V
T
G
G
T
V
E
F
K
G
K
D
L
L
A
L
S
-
P
---
E
D
---
R
A
G
E
G
I
F
M
A
F
Q
Y
P
--
V
--
E
I
P
G
V
S
N
Q
F
F
L
Q
T
A
L
N
A
V
R
S
Y
R
G
Q
E
T
L
D
R
F
D
F
Q
D
L
M
E
E
K
I
A
L
L
K
M
P
--
E
-
D
L
L
T
R
S
V
N
V
G
---
F
S
G
G
E
K
K
R
N
D
I
L
Q
M
A
V
L
E
P
E
L
C
I
L
D
E
S
D
S
G
L
D
I
D
A
L
K
V
V
A
D
G
V
N
S
L
R
D
G
K
R
-
S
F
I
I
V
T
H
Y
Q
R
I
L
D
Y
I
K
P
D
Y
V
H
V
L
Y
Q
G
R
I
V
K
S
G
D
F
T
L
V
K
Q
L
E
E
Q
G
Y
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
91.58
50%
-113
- C1 -
2D3W
-
SUFC_ECOLI
A:
[1-241]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
---
L
S
I
K
D
L
H
V
S
V
E
D
K
A
-------
I
L
R
G
L
S
L
D
V
H
P
G
E
V
H
A
I
M
G
P
N
G
S
G
K
S
T
-
L
S
A
T
L
A
G
R
E
D
Y
E
--
V
T
G
G
T
V
E
F
K
G
K
D
L
L
A
L
S
-
P
---
E
D
---
R
A
G
E
G
I
F
M
A
F
Q
Y
P
--
V
--
E
I
P
G
V
S
N
Q
F
F
L
Q
T
A
L
N
A
V
R
S
Y
R
G
Q
E
T
L
D
R
F
D
F
Q
D
L
M
E
E
K
I
A
L
L
K
M
P
--
E
-
D
L
L
T
R
S
V
N
V
G
---
F
S
G
G
E
K
K
R
N
D
I
L
Q
M
A
V
L
E
P
E
L
C
I
L
D
E
S
D
S
G
L
D
I
D
A
L
K
V
V
A
D
G
V
N
S
L
R
D
G
K
R
-
S
F
I
I
V
T
H
Y
Q
R
I
L
D
Y
I
K
P
D
Y
V
H
V
L
Y
Q
G
R
I
V
K
S
G
D
F
T
L
V
K
Q
L
E
E
Q
G
Y
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
89.03
50%
-116
- C1 -
5AWG
-
SUFC_ECOLI
C:
[1-237]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
---
L
S
I
K
D
L
H
V
S
V
E
D
K
A
-------
I
L
R
G
L
S
L
D
V
H
P
G
E
V
H
A
I
M
G
P
N
G
S
G
K
S
T
-
L
S
A
T
L
A
G
R
E
D
Y
E
--
V
T
G
G
T
V
E
F
K
G
K
D
L
L
A
L
S
-
P
---
E
D
---
R
A
G
E
G
I
F
M
A
F
Q
Y
P
--
V
--
E
I
P
G
V
S
N
Q
F
F
L
Q
T
A
L
N
A
V
R
S
Y
R
G
Q
E
T
L
D
R
F
D
F
Q
D
L
M
E
E
K
I
A
L
L
K
M
P
--
E
-
D
L
L
T
R
S
V
N
V
G
---
F
S
G
G
E
K
K
R
N
D
I
L
Q
M
A
V
L
E
P
E
L
C
I
L
D
E
S
D
S
G
L
D
I
D
A
L
K
V
V
A
D
G
V
N
S
L
R
D
G
K
R
-
S
F
I
I
V
T
H
Y
Q
R
I
L
D
Y
I
K
P
D
Y
V
H
V
L
Y
Q
G
R
I
V
K
S
G
D
F
T
L
V
K
Q
L
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
58
Fugue
70.96
27%
-83
- C1 -
4F4C
3
PGP1_CAEEL
A:
[4-1306]
N
G
S
L
R
Q
S
L
R
T
L
D
S
F
SLA
P
E
D
V
L
K
T
A
I
K
T
V
E
D
Y
EGDNIDSNG
E
I
K
I
TRDEVV
N
K
V
S
I
P
Q
L
Y
RYTT
T
L
E
K
L
L
L
F
I
G
T
L
V
A
V
I
T
G
A
G
L
P
L
M
S
I
L
Q
G
K
V
S
Q
A
F
I
N
E
Q
I
V
I
N
N
N
G
S
T
F
LPTGQNYT
K
T
D
F
E
H
D
V
M
N
V
V
W
S
Y
A
A
M
T
V
G
M
W
A
A
G
Q
I
T
V
T
C
Y
L
Y
V
A
E
Q
M
N
N
R
L
R
R
E
F
V
K
S
I
L
R
QE
I
S
W
F
D
T
N
HSGT
L
A
T
K
L
F
D
N
L
E
R
V
K
E
G
T
GD
K
I
G
M
A
F
Q
Y
L
S
Q
F
I
T
G
F
I
V
A
F
T
H
S
W
Q
L
T
L
V
M
L
A
V
T
P
I
Q
A
L
C
G
F
A
I
A
K
S
M
S
T
F
A
I
R
E
T
L
R
Y
A
K
A
G
K
V
V
E
E
T
I
S
S
I
R
T
V
V
S
L
NG
L
R
Y
E
L
E
R
Y
S
T
A
V
E
E
A
K
K
A
G
V
L
K
G
L
F
L
G
I
S
F
G
A
M
Q
A
S
N
F
I
S
F
A
L
A
F
Y
I
G
V
G
W
V
H
D
GSLN
F
G
D
M
L
T
T
F
S
S
V
M
M
G
S
M
A
L
G
L
A
G
P
Q
L
A
V
L
G
T
A
Q
G
A
A
S
G
I
Y
E
V
LDRKPVIDSS
S
K
A
G
R
KD
M
K
I
K
G
D
I
T
V
E
N
V
H
F
T
Y
P
S
R
P
D
----
V
P
I
L
R
G
M
N
L
R
V
N
A
G
Q
T
V
A
L
V
G
S
S
G
C
G
K
S
T
-
I
I
S
L
L
L
R
Y
--
Y
D
--
V
L
K
G
K
I
T
I
D
G
V
D
V
R
D
I
N
-----
L
E
---
F
L
R
K
N
V
A
V
V
S
Q
E
P
-----
A
L
F
N
C
T
I
E
E
N
I
S
L
G
K
--------
E
G
I
T
R
E
E
M
V
A
A
C
-
K
M
A
N
A
E
K
F
I
K
T
L
P
-
N
G
Y
N
T
L
V
G
D
R
G
T
Q
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
S
E
G
I
V
Q
Q
A
L
D
K
A
A
K
G
R
--
T
T
I
I
I
A
H
R
L
S
T
I
R
--
N
A
D
L
I
I
S
C
K
N
G
Q
V
V
E
V
G
D
H
R
A
L
M
A
Q
Q
G
L
Y
Y
D
L
V
T
A
Q
T
F
T
D
A
V
D
S
A
A
E
G
E
R
I
G
K
D
A
L
S
R
L
K
Q
E
L
E
ENNAQKTN
L
F
E
I
L
Y
H
A
RPH
A
L
S
L
F
I
G
M
S
T
A
T
I
G
G
F
I
Y
P
T
Y
S
V
F
F
T
S
F
M
N
V
F
AGNPADFL
S
Q
G
H
F
W
A
L
M
F
L
V
L
A
A
A
Q
G
I
C
S
F
L
M
T
F
F
M
G
I
A
S
E
S
L
T
R
D
L
R
N
K
L
F
R
N
V
L
S
QHIGFFDSPQNA
S
G
K
I
S
T
R
L
A
T
D
V
P
N
L
R
T
A
I
D
F
R
F
S
T
V
I
T
T
L
V
S
M
V
A
G
I
G
L
A
F
F
Y
G
W
Q
M
A
L
L
I
I
A
I
L
P
I
V
A
F
G
Q
Y
L
R
G
RRFTGKNVKSA
S
E
F
A
D
S
G
K
I
A
I
E
A
I
E
N
V
R
T
V
Q
A
L
AR
E
D
T
F
Y
E
N
F
C
E
K
L
D
I
P
H
K
E
A
I
K
E
A
F
I
Q
G
L
S
Y
G
C
A
S
S
V
L
Y
L
L
N
T
C
A
Y
R
M
G
L
A
L
I
I
TDPPTMQ
P
M
R
V
L
R
V
M
Y
A
I
T
I
S
T
S
TLGFAT
S
Y
F
P
E
Y
A
K
A
T
F
A
G
G
I
I
F
G
M
L
R
KISKIDSLSLAGEKKKLYGK
V
I
F
K
N
V
R
F
A
Y
PERPEIEILK
G
L
S
F
S
V
E
PG
Q
T
L
A
L
V
G
P
S
GCGKST
V
V
A
L
L
E
RFYDTL
G
G
E
I
F
I
DGSEIKTLN
P
E
H
T
R
S
Q
I
A
I
V
S
Q
E
P
T
L
F
DCS
I
A
E
N
I
I
YGLDPSSVT
M
A
Q
V
E
E
A
A
R
L
A
NI
H
N
F
I
A
E
LPEGFETRVGDRGTQLS
G
G
Q
K
Q
R
I
A
I
A
R
A
L
V
R
NPK
I
L
L
L
D
EATSALDT
E
S
E
K
V
V
Q
E
A
L
D
R
A
R
EG
R
T
C
I
V
I
A
HRLNTVMNAD
C
I
A
V
V
S
NGTII
E
K
G
T
H
T
Q
L
M
S
E
K
33
HHSearch
67.16
22%
-106
* C1 *
4TQU
-
?
S:
[3-223]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
S
---
V
S
I
Q
N
V
V
K
R
Y
D
-------
K
T
T
V
V
H
G
V
S
L
D
I
E
P
G
E
F
V
V
L
V
G
P
S
G
C
G
K
S
T
-
T
L
R
M
V
A
G
L
E
E
----
I
S
G
G
T
I
R
I
D
G
R
V
I
N
D
L
A
-
P
---------
K
D
R
D
V
A
M
V
F
Q
N
Y
--
A
--
L
Y
P
H
L
N
V
R
D
N
I
S
F
G
L
R
L
K
---
R
---
T
K
K
S
V
I
D
A
A
V
-
K
T
A
A
D
I
L
G
L
Q
--
P
--
L
L
E
R
K
P
-
S
D
---
L
S
G
G
Q
R
Q
R
V
A
M
G
R
A
I
V
R
D
P
K
V
F
L
F
D
Q
P
L
S
N
L
D
A
K
L
R
T
Q
M
R
A
E
I
K
R
L
H
Q
R
L
G
T
T
V
I
Y
V
T
H
D
Q
V
E
A
M
T
L
-
A
D
R
I
V
V
M
R
D
G
L
I
E
Q
I
G
K
P
M
D
L
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
HHSearch
67.02
27%
-97
- C1 -
3D31
-
?
A:
[1-217]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
---
I
E
I
E
S
L
S
R
K
W
K
--------
N
F
S
L
D
N
L
S
L
K
V
E
S
G
E
Y
F
V
I
L
G
P
T
G
A
G
K
T
L
-
F
L
E
L
I
A
G
F
H
V
----
P
D
S
G
R
I
L
L
D
G
K
D
V
T
D
L
S
-
P
---------
E
K
H
D
I
A
F
V
Y
Q
N
Y
--
S
--
L
F
P
H
M
N
V
K
K
N
L
E
F
G
M
R
M
K
---
K
---
I
---
K
D
P
K
R
V
-
L
D
T
A
R
D
L
K
I
E
--
H
--
L
L
D
R
N
P
-
L
T
---
L
S
G
G
E
Q
Q
R
V
A
L
A
R
A
L
V
T
N
P
K
I
L
L
L
D
E
P
L
S
A
L
D
P
R
T
Q
E
N
A
R
E
M
L
S
V
L
H
K
K
N
K
L
T
V
L
H
I
T
H
D
Q
T
E
A
R
I
M
-
A
D
R
I
A
V
V
M
D
G
K
L
I
Q
V
G
K
P
E
E
I
F
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
55
Fugue
66.02
22%
-87
- C1 -
2PJZ
5
?
A:
[1-261]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
---
I
Q
L
K
N
V
G
I
T
L
S
G
K
---
G
Y
E
R
F
S
L
E
N
I
N
L
E
V
N
-
G
E
K
V
I
I
L
G
P
N
G
S
G
K
T
T
-
L
L
R
A
I
S
G
L
L
P
Y
-----
S
G
N
I
F
I
N
G
M
E
V
R
K
I
R
-
N
---
Y
I
---
R
Y
S
T
N
L
P
E
A
Y
E
---------
I
G
V
T
V
N
D
I
V
Y
L
Y
E
E
L
K
---
G
L
D
-------
R
D
L
F
-
L
E
M
L
K
A
L
K
L
G
--
E
-
E
I
L
R
R
K
L
Y
K
----
L
S
A
G
Q
S
V
L
V
R
T
S
L
A
L
A
S
Q
P
E
I
V
G
L
D
E
P
F
E
N
V
D
A
A
R
R
H
V
I
S
R
Y
I
K
E
Y
G
K
E
G
----
I
L
V
T
H
E
L
D
M
L
N
L
Y
K
E
Y
K
A
Y
F
L
V
G
N
R
L
Q
G
P
I
S
---
V
S
E
L
L
E
S
S
I
V
E
G
E
R
N
D
A
L
L
V
L
D
I
M
D
K
K
V
S
I
V
K
G
DLGMKFGALGS
L
N
R
I
Y
G
I
I--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
HHSearch
65.47
22%
-97
- C1 -
4MKI
4
ECFA2_CALS4
B:
[5-235]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
P
---
I
K
V
E
N
V
S
F
I
Y
N
E
G
T
P
--
Y
A
T
V
A
L
K
D
I
N
F
S
I
D
D
E
E
F
V
G
I
I
G
H
T
G
S
G
K
S
T
-
L
I
Q
Q
L
N
G
L
L
K
----
P
S
K
G
K
I
Y
I
N
G
I
D
I
T
D
K
K
V
S
---
L
K
---
D
I
R
K
Q
V
G
L
V
F
Q
Y
P
EY
Q
--
L
F
E
E
-
T
V
F
K
D
I
A
F
G
P
S
N
L
---
G
---
L
S
E
E
E
V
K
E
R
V
-
Y
E
A
M
E
I
V
G
I
S
--
K
-
E
L
A
D
K
S
P
-
F
E
---
L
S
G
G
Q
K
R
R
V
A
I
A
G
I
L
A
M
R
P
K
I
L
I
L
D
E
P
T
A
G
L
D
P
K
G
K
Q
E
I
L
N
K
I
K
E
I
H
D
K
Y
K
M
I
T
I
L
V
S
H
N
M
E
D
I
A
R
I
-
A
D
K
I
I
V
M
N
R
G
K
I
E
L
I
G
T
P
R
E
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
65.14
20%
-97
- C1 -
1Z47
1
?
A:
[13-235]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
T
---
I
E
F
V
G
V
E
K
I
Y
P
------
G
G
A
R
S
V
R
G
V
S
F
Q
I
R
E
G
E
M
V
G
L
L
G
P
S
G
S
G
K
T
T
-
I
L
R
L
I
A
G
L
E
R
----
P
T
K
G
D
V
W
I
G
G
K
R
V
T
D
L
P
-
P
---------
Q
K
R
N
V
G
L
V
F
Q
N
Y
--
A
--
L
F
Q
H
M
T
V
Y
D
N
V
S
F
G
L
R
E
K
---
R
---
V
P
K
D
E
M
D
A
R
V
-
R
E
L
L
R
F
M
R
L
E
--
S
--
Y
A
N
R
F
P
-
H
E
---
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
A
P
R
P
Q
V
L
L
F
D
E
P
F
A
A
I
D
T
Q
I
R
R
E
L
R
T
F
V
R
Q
V
H
D
E
M
G
V
T
S
V
F
V
T
H
D
Q
E
E
A
L
E
V
-
A
D
R
V
L
V
L
H
E
G
N
V
E
Q
F
G
T
P
E
E
V
Y
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
HHSearch
64.86
24%
-87
- C1 -
4HUQ
-
ECFA2_LACBA
A:
[2-234]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
---
I
A
F
E
H
V
T
Y
T
Y
Q
A
G
T
P
--
M
A
H
T
A
L
T
D
V
S
L
T
V
P
D
R
G
Y
L
A
I
I
G
H
T
G
S
G
K
S
T
-
L
I
Q
Q
L
N
A
L
L
K
----
P
T
S
G
T
I
K
I
D
E
F
T
I
T
P
E
T
-
T
NAA
L
K
---
P
L
R
Q
H
V
G
M
V
F
Q
F
P
--
E
NQ
L
F
E
-
E
T
V
R
Q
D
I
A
F
G
P
K
N
F
---
G
---
M
A
D
A
D
A
L
A
L
A
-
D
E
M
L
T
T
V
G
L
D
--
Q
-
S
Y
A
E
R
S
P
-
F
E
---
L
S
G
G
Q
M
R
R
V
A
I
A
G
V
L
A
M
Q
P
K
V
L
V
L
D
E
P
T
A
G
L
D
P
Q
G
R
Q
E
M
M
R
L
F
A
R
L
H
Q
E
Q
G
L
T
I
V
L
V
T
H
Q
M
E
D
V
A
Q
Y
-
A
E
Q
V
A
V
M
H
E
G
R
L
M
K
F
G
T
P
A
D
V
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
64.36
31%
-73
- C1 -
4AYW
1
ABCBA_HUMAN
A:
[373-597]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
F
K
N
V
H
F
A
Y
P
----
A
R
P
E
V
P
I
F
Q
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
---
L
Y
D
--
P
A
S
G
T
I
S
L
D
G
H
D
I
R
Q
L
N
P
V
---
W
L
---
R
S
K
I
G
--
T
V
S
Q
E
P
--
I
--
L
F
S
C
S
I
A
E
N
I
A
Y
G
A
D
D
P
S
---
S
V
T
A
E
E
I
Q
R
-
V
A
E
V
-
A
N
A
V
A
F
I
R
N
F
--
P
-
Q
G
F
N
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
----
L
D
A
E
N
E
Y
L
V
Q
E
A
L
D
R
L
M
D
G
R
T
--
V
L
V
I
A
H
H
L
S
T
I
K
--
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
H
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
64.23
31%
-71
- C1 -
4AYX
2
ABCBA_HUMAN
A:
[342-566]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
F
K
N
V
H
F
A
Y
--
P
A
R
P
--
E
V
P
I
F
Q
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
-
V
L
S
L
L
L
--
R
L
Y
D
--
P
A
S
G
T
I
S
L
D
G
H
D
I
R
Q
L
N
P
V
---
W
L
---
R
S
K
I
G
--
T
V
S
Q
E
P
--
I
--
L
F
S
C
S
I
A
E
N
I
A
Y
G
A
D
D
P
S
---
S
V
T
A
E
E
I
Q
R
-
V
A
E
V
-
A
N
A
V
A
F
I
R
N
F
--
P
-
Q
G
F
N
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
D
R
L
M
D
G
R
T
--
V
L
V
I
A
H
--
R
L
S
T
I
K
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
H
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
64.19
20%
-109
- C1 -
1V43
-
?
A:
[10-238]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
V
E
---
V
K
L
E
N
L
T
K
R
F
G
-------
N
F
T
A
V
N
K
L
N
L
T
I
K
D
G
E
F
L
V
L
L
G
P
S
G
C
G
K
T
T
-
T
L
R
M
I
A
G
L
E
E
----
P
T
E
G
R
I
Y
F
G
D
R
D
V
T
Y
L
P
-
P
---------
K
D
R
N
I
S
M
V
F
Q
----------
H
M
T
V
Y
E
N
I
A
F
P
L
--
K
---
K
---
F
P
K
D
E
I
D
K
R
V
-
R
W
A
A
E
L
L
Q
I
E
--
E
--
L
L
N
R
Y
P
-
A
Q
---
L
S
G
G
Q
R
Q
R
V
A
V
A
R
A
I
V
V
E
P
D
V
L
L
M
D
E
P
L
S
N
L
D
A
K
L
R
V
A
M
R
A
E
I
K
K
L
Q
Q
K
L
K
V
T
T
I
Y
V
T
H
D
Q
V
E
A
M
T
M
-
G
D
R
I
A
V
M
N
R
G
Q
L
L
Q
I
G
S
P
T
E
V
Y
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
HHSearch
64.08
22%
-91
- C1 -
4FWI
2
?
B:
[3-254]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
I
---
I
R
V
E
D
L
R
A
V
Y
L
V
R
---
E
G
T
I
K
A
A
D
G
I
S
L
D
I
L
E
N
S
V
T
A
I
V
G
E
S
A
S
G
K
S
T
-
I
I
E
A
M
T
K
T
L
P
P
N
GR
I
L
S
G
R
V
L
Y
K
G
K
D
L
L
T
M
R
-
E
---
E
E
LRK
I
R
W
K
E
I
A
L
V
P
Q
A
A
--
Q
QS
L
N
P
T
M
K
V
I
E
H
F
K
D
T
V
E
A
H
---
G
V
-
R
W
S
H
S
E
L
I
E
K
A
-
S
E
K
L
R
M
V
R
L
N
--
P
E
A
V
L
N
S
Y
P
-
L
Q
---
L
S
G
G
M
K
Q
R
V
L
I
A
L
A
L
L
L
D
P
V
V
L
I
L
D
E
P
T
S
A
L
D
V
L
T
Q
A
H
I
I
Q
L
L
K
E
L
K
K
M
L
K
I
T
L
I
F
V
T
H
D
I
A
V
A
A
E
L
-
A
D
K
V
A
V
I
Y
G
G
N
L
V
E
Y
N
S
T
F
Q
I
F
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
64.07
26%
-102
- C1 -
2IT1
-
?
A:
[1-222]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
V
E
---
I
K
L
E
N
I
V
K
K
F
G
-------
N
F
T
A
L
N
N
I
N
L
K
I
K
D
G
E
F
M
A
L
L
G
P
S
G
S
G
K
S
T
-
L
L
Y
T
I
A
G
I
Y
K
----
P
T
S
G
K
I
Y
F
D
E
K
D
V
T
E
L
P
-
P
---------
K
D
R
N
V
G
L
V
F
Q
N
W
--
A
--
L
Y
P
H
M
T
V
Y
K
N
I
A
F
P
L
E
L
R
---
K
---
A
P
R
E
E
I
D
K
K
V
-
R
E
V
A
K
M
L
H
I
D
--
K
--
L
L
N
R
Y
P
-
W
Q
---
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
V
K
E
P
E
V
L
L
L
D
E
P
L
S
N
L
D
A
L
L
R
L
E
V
R
A
E
L
K
R
L
Q
K
E
L
G
I
T
T
V
Y
V
T
H
D
Q
A
E
A
L
A
M
-
A
D
R
I
A
V
I
R
E
G
E
I
L
Q
V
G
T
P
D
E
V
Y
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
63.85
31%
-66
- C1 -
4AYT
2
ABCBA_HUMAN
A:
[342-566]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
F
K
N
V
H
F
A
Y
--
P
A
R
P
--
E
V
P
I
F
Q
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
-
V
L
S
L
L
L
--
R
L
Y
D
--
P
A
S
G
T
I
S
L
D
G
H
D
I
R
Q
L
N
P
V
---
W
L
---
R
S
K
I
G
--
T
V
S
Q
E
P
--
I
--
L
F
S
C
S
I
A
E
N
I
A
Y
G
A
D
D
P
S
---
S
V
T
A
E
E
I
Q
R
-
V
A
E
V
-
A
N
A
V
A
F
I
R
N
F
--
P
-
Q
G
F
N
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
D
R
L
M
D
G
R
T
--
V
L
V
I
A
H
--
R
L
S
T
I
K
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
H
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
62.41
24%
-99
- C1 -
2YYZ
3
?
A:
[2-222]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
S
---
I
R
V
V
N
L
K
K
Y
F
G
-------
K
V
K
A
V
D
G
V
S
F
E
V
K
D
G
E
F
V
A
L
L
G
P
S
G
C
G
K
T
T
-
T
L
L
M
L
A
G
I
Y
K
----
P
T
S
G
E
I
Y
F
D
D
V
L
V
N
D
I
P
-
P
---------
K
Y
R
E
V
G
M
V
F
Q
N
Y
--
A
--
L
Y
P
H
M
T
V
F
E
N
I
A
F
P
L
R
A
R
---
R
---
I
S
K
D
E
V
E
K
R
V
-
V
E
I
A
R
K
L
L
I
D
--
N
--
L
L
D
R
K
P
-
T
Q
---
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
Q
P
K
V
L
L
F
D
E
P
L
S
N
L
D
A
N
L
R
M
I
M
R
A
E
I
K
H
L
Q
Q
E
L
G
I
T
S
V
Y
V
T
H
D
Q
A
E
A
M
T
M
-
A
S
R
I
A
V
F
N
Q
G
K
L
V
Q
Y
G
T
P
D
E
V
Y
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------