@TOME V2.2
(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 : T0762: (2014-05-02 )
MKLKKILGLLGLALAAAFVLTACGQKNDKNTLTVGVMTMTDSDKERWDKIEELLKKENIKLKFKEFTDYSQPNKALKNGEIDINSFQHYNFLNNWNKENKGDLVTVAETYISPINLFSGTENGKAKYSSAKEIPNGGQIAIPNDATNESRALYVLQDAGLIKLNVSGDELATVKNIKSNPKNLDIKEVDASQTARNLASVDAAVVNNSYAVPAKIDFKTSLYKEKVNEGSKQWINIIAAQKNWKKSKKAAAIKKLIKAYHTDAVKKVIKKTAKGVDEPVW
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.......270.-....-..280------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
K
L
K
K
I
L
G
L
L
G
L
A
L
A
A
A
F
V
L
T
ACGQKNDK
N
T
L
T
V
G
V
M
TMTDS
D
K
E
R
W
-
D
K
I
E
E
L
L
K
-KE-N
I
K
L
K
F
KEFTDYSQPNKALKNG
E
I
D
INS
F
Q
H
YN
F
L
NNWNKEN-KG-
D
L
V
T
-
V
A
E
T
YIS
P
I
NLFSGTENGKAKYSSAKEIPNG
G
Q
I
AIPNDATNE
S
R
A
L
Y
V
L
QDA
G
L
I
K
L
NVS-GDE-L-
A
T
V
K
NIKSNPKNL
D
I
-
K
EV
D
A
S
--
Q
T
A
R
N
L
A
S
--
V
D
A
A
VVNNSYAV
P
A
K
I
D-
F
-
K
---
T
S
-
L
-
Y
K
E
K
VN-E-G-
S
-
K
Q
W
I
N
I
IAAQKN
W
K
K
S
K
K
A
A
A
I
K
K
L
I
K
A
Y
H
T
D
A
V
K
K
V
I
K
K
T
AK-GVDE-PVW--------------
16
Fugue
93.57
40%
-47
- C2 -
1P99
1
?
A:
[40-294]
------------------------------
K
V
T
I
G
V
---
A
S
N
D
T
K
A
W
-
E
K
V
K
E
L
A
K
-
K
D
-
D
I
D
V
E
I
K
H
F
S
D
Y
N
L
P
N
K
A
L
N
D
G
D
I
D
M
N
A
F
Q
H
F
A
F
L
D
Q
Y
K
K
A
H
-
K
G
T
K
I
S
A
-
L
S
T
T
V
L
A
P
L
G
I
Y
S
D
------
K
I
K
D
V
K
K
V
K
D
G
A
K
V
V
I
P
N
D
V
S
N
Q
A
R
A
L
K
L
L
E
A
A
G
L
I
K
L
K
K
D
-
F
G
L
-
A
-
G
T
V
K
D
I
T
S
N
P
K
H
L
K
I
-
T
A
V
D
A
Q
--
Q
T
A
R
A
L
S
D
--
V
D
I
A
V
I
N
N
G
V
A
T
K
A
G
K
D
P
K
-
N
---
D
P
-
I
-
F
L
E
K
S
N
S
D
-
A
-
V
-
K
P
Y
I
N
I
V
A
V
N
---
D
K
D
L
D
N
K
T
Y
A
K
I
V
E
L
Y
H
S
K
E
A
Q
K
A
L
Q
E
D
V
K
-
D
G
E
K
-
P
V
N
L
S
K
D
E
I
K
A
I
E
T
S
L
A
42
HHSearch
90.83
36%
-53
- C2 -
1P99
1
?
A:
[40-280]
------------------------------
K
V
T
I
G
V
A
S
N
D
---
T
K
A
W
-
E
K
V
K
E
L
A
K
-
K
D
-
D
I
D
V
E
I
K
H
F
S
D
Y
N
L
P
N
K
A
L
N
D
G
D
I
D
M
N
A
F
Q
H
F
A
F
L
D
Q
Y
K
K
A
H
K
G
T
-
K
I
S
A
-
L
S
T
T
V
L
A
P
L
G
I
Y
S
------
D
K
I
K
D
V
K
K
V
K
D
G
A
K
V
V
I
P
N
D
V
S
N
Q
A
R
A
L
K
L
L
E
A
A
G
L
I
K
L
K
K
D
-
F
G
L
-
A
-
G
T
V
K
D
I
T
S
N
P
K
H
L
K
I
-
T
A
V
D
A
Q
--
Q
T
A
R
A
L
S
D
--
V
D
I
A
V
I
N
N
G
V
A
T
K
A
G
K
D
-
P
K
N
---
D
P
-
I
-
F
L
E
K
S
N
-
S
D
A
-
V
-
K
P
Y
I
N
I
V
A
V
N
D
K
---
D
L
D
N
K
T
Y
A
K
I
V
E
L
Y
H
S
K
E
A
Q
K
A
L
Q
E
D
V
K
-
D
G
E
K
-
P
V
N
--------------
26
SP3
89.64
33%
-48
- C2 -
1P99
1
?
A:
[40-294]
------------------------------
K
V
T
I
G
V
A
---
S
N
D
T
K
A
W
-
E
K
V
K
E
L
A
K
-
K
D
-
D
I
D
V
E
I
K
H
F
S
D
Y
N
L
P
N
K
A
L
N
D
G
D
I
D
M
N
A
F
Q
H
F
A
F
L
D
Q
Y
K
K
A
H
K
G
T
-
K
I
S
A
-
L
S
T
T
V
L
A
P
L
G
I
Y
S
------
D
K
I
K
D
V
K
K
V
K
D
G
A
K
V
V
I
P
N
D
V
S
N
Q
A
R
A
L
K
L
L
E
A
A
G
L
I
K
L
K
K
D
-
F
G
L
-
A
-
G
T
V
K
D
I
T
S
N
P
K
H
L
K
I
-
T
A
V
D
A
Q
--
Q
T
A
R
A
L
S
D
--
V
D
I
A
V
I
N
N
G
V
A
T
K
A
G
K
D
-
P
K
N
---
D
P
-
I
-
F
L
E
K
S
N
-
S
-
D
A
V
-
K
P
Y
I
N
I
V
A
V
N
D
---
K
D
L
D
N
K
T
Y
A
K
I
V
E
L
Y
H
S
K
E
A
Q
K
A
L
Q
E
D
V
K
-
D
G
E
K
-
P
V
N
L
S
K
D
E
I
K
A
I
E
T
S
L
A
36
HHSearch
89.21
32%
-46
- C2 -
1XS5
-
TPN32_TREPA
A:
[2-240]
----------------------------
D
E
T
V
G
V
G
V
L
S
E
--
P
H
A
R
L
L
-
E
I
A
K
E
E
V
K
-
K
Q
-
H
I
E
L
R
I
V
E
F
T
N
Y
V
A
L
N
E
A
V
M
R
G
D
I
L
M
N
F
F
Q
H
V
P
H
M
Q
Q
F
N
Q
E
H
-
N
G
-
D
L
V
S
-
V
G
N
V
H
V
E
P
L
A
L
Y
S
------
R
T
Y
R
H
V
S
D
F
P
A
G
A
V
I
A
I
P
N
D
S
S
N
E
A
R
A
L
R
L
L
E
A
A
G
F
I
R
M
R
A
G
-
S
G
L
-
F
-
A
T
V
E
D
V
Q
Q
N
V
R
N
V
V
L
-
Q
E
V
E
S
A
--
L
L
P
R
V
F
D
Q
--
V
D
G
A
V
I
N
G
N
Y
A
I
M
A
G
L
S
-
A
R
R
---
D
G
-
L
-
A
V
E
P
D
A
-------
S
A
Y
A
N
V
L
V
V
K
R
G
---
N
E
A
D
A
R
V
Q
A
V
L
R
A
L
C
G
G
R
V
R
T
Y
L
K
E
R
Y
K
G
G
E
V
A
-
P
A
---------------
4
PsiBlast_PDB
88.37
30%
-45
- C2 -
1XS5
-
TPN32_TREPA
A:
[4-234]
--------------------------------
T
V
G
V
G
V
L
S
E
P
H
A
R
L
L
-
E
I
A
K
E
E
V
K
-
K
Q
-
H
I
E
L
R
I
V
E
F
T
N
Y
V
A
L
N
E
A
V
M
R
G
D
I
L
M
N
F
F
Q
H
V
P
H
M
Q
Q
F
N
Q
E
H
-
N
G
-
D
L
V
S
-
V
G
N
V
H
V
E
P
L
A
L
Y
S
R
T
------
Y
R
H
V
S
D
F
P
A
G
A
V
I
A
I
P
N
D
S
S
N
E
A
R
A
L
R
L
L
E
A
A
G
F
I
R
M
R
A
G
-
S
G
L
-
F
-
A
T
V
E
D
V
Q
Q
N
V
R
N
V
V
L
-
Q
E
V
E
S
A
--
L
L
P
R
V
F
D
Q
--
V
D
G
A
V
I
N
G
N
Y
A
I
M
A
G
L
S
-
A
-
R
---
R
D
----
G
L
A
V
E
-
P
-
D
-
A
-
S
A
Y
A
N
V
L
V
V
K
R
G
---
N
E
A
D
A
R
V
Q
A
V
L
R
A
L
C
G
G
R
V
R
T
Y
L
K
E
R
Y
K
-
G
---------------------
35
HHSearch
88.34
36%
-36
- C2 -
4IB2
2
?
A:
[6-252]
-----------------------
S
S
E
-
D
A
K
T
I
K
V
A
A
S
A
T
P
--
H
A
E
I
L
-
E
Q
A
K
S
I
L
K
-
K
E
-
G
Y
Q
L
E
V
T
V
F
D
D
Y
V
Q
P
N
E
V
V
E
S
G
E
F
D
A
N
Y
F
Q
H
V
P
Y
L
E
S
F
N
E
E
K
-
G
T
-
H
L
V
D
-
A
G
D
I
H
Y
E
P
F
G
I
Y
P
------
G
T
K
K
S
L
D
E
I
S
E
G
D
K
I
A
V
P
N
D
T
T
N
E
A
R
A
L
L
L
L
Q
D
N
G
I
I
T
L
K
D
G
-
A
G
L
-
N
-
A
T
V
N
D
I
E
E
N
P
Y
N
V
E
I
-
V
E
L
E
A
A
--
Q
V
A
R
V
T
G
E
--
T
A
Y
V
V
L
N
G
N
Y
A
L
E
A
G
Y
S
-
V
A
K
---
D
A
-
L
-
A
Y
E
K
S
D
-
S
E
A
-
A
-
K
T
Y
V
N
I
I
A
V
K
E
G
N
---
E
K
E
E
K
I
Q
A
L
V
K
A
L
K
S
D
E
I
K
E
Y
I
E
K
T
Y
D
-
G
A
V
I
-
P
F
E
--------------
39
HHSearch
88.14
40%
-47
- C2 -
4K3F
5
?
A:
[3-240]
-----------------------------
E
S
L
T
V
A
A
T
P
V
P
--
H
A
E
I
L
-
N
V
V
K
P
L
L
A
-
K
E
-
G
V
D
L
K
I
K
E
F
T
D
Y
V
Q
P
N
V
Q
V
S
E
K
R
L
D
A
N
F
F
Q
H
Q
P
Y
L
D
E
F
N
K
A
K
-
G
T
-
D
L
V
A
-
V
T
G
V
H
I
E
P
L
G
A
Y
S
------
S
K
Y
K
K
L
D
E
L
P
S
G
A
T
V
V
I
P
N
D
A
T
N
G
G
R
A
L
L
L
L
D
K
A
G
V
I
K
L
K
D
N
-
K
S
I
-
T
-
A
T
P
K
D
I
V
D
N
P
K
N
I
K
I
-
R
E
L
E
A
A
--
T
L
P
R
V
L
T
Q
--
V
D
M
A
L
I
N
T
N
Y
A
L
E
A
K
L
N
-
P
T
K
---
D
A
-
L
-
A
I
E
G
S
D
-------
S
P
Y
V
N
I
L
V
A
R
P
D
---
N
K
D
S
D
A
M
Q
K
L
A
K
A
L
H
S
A
E
I
K
Q
F
I
Q
E
K
Y
K
-
G
A
V
V
-
P
A
F
--------------
2
PsiBlast_PDB
87.26
38%
-50
- C2 -
4K3F
5
?
A:
[4-240]
------------------------------
S
L
T
V
A
A
T
P
V
P
H
A
--
E
I
L
-
N
V
V
K
P
L
L
A
-
K
E
-
G
V
D
L
K
I
K
E
F
T
D
Y
V
Q
P
N
V
Q
V
S
E
K
R
L
D
A
N
F
F
Q
H
Q
P
Y
L
D
E
F
N
K
A
K
-
G
T
-
D
L
V
A
-
V
T
G
V
H
I
E
P
L
G
A
Y
S
------
S
K
Y
K
K
L
D
E
L
P
S
G
A
T
V
V
I
P
N
D
A
T
N
G
G
R
A
L
L
L
L
D
K
A
G
V
I
K
L
K
D
N
-
K
S
I
-
T
-
A
T
P
K
D
I
V
D
N
P
K
N
I
K
I
-
R
E
L
E
A
A
--
T
L
P
R
V
L
T
Q
--
V
D
M
A
L
I
N
T
N
Y
A
L
E
A
K
L
N
P
T
-
K
---
D
A
-
L
-----
A
I
-
E
-
G
-
S
D
S
P
Y
V
N
I
L
V
A
R
P
D
N
K
D
S
D
---
A
M
Q
K
L
A
K
A
L
H
S
A
E
I
K
Q
F
I
Q
E
K
Y
K
-
G
A
V
V
-
P
A
F
--------------
1
PsiBlast_PDB
87.06
38%
-41
- C2 -
1P99
1
?
A:
[40-279]
-----------------------------
K
-
V
T
I
G
V
A
S
---
N
D
T
K
A
W
-
E
K
V
K
E
L
A
K
-
K
D
-
D
I
D
V
E
I
K
H
F
S
D
Y
N
L
P
N
K
A
L
N
D
G
D
I
D
M
N
A
F
Q
H
F
A
F
L
D
Q
Y
K
K
A
H
-
K
G
-
T
K
I
S
A
L
S
T
T
V
L
A
P
L
G
I
Y
S
D
K
I
K
D
V
K
K
V
K
D
------
G
A
K
V
V
I
P
N
D
V
S
N
Q
A
R
A
L
K
L
L
E
A
A
G
L
I
K
L
K
K
D
-
F
G
L
-
A
-
G
T
V
K
D
I
T
S
N
P
K
H
L
K
I
-
T
A
V
D
A
Q
--
Q
T
A
R
A
L
S
D
--
V
D
I
A
V
I
N
N
G
V
A
T
K
A
G
K
D
-
P
-
K
---
N
D
P
I
-
F
L
E
K
S
N
S
D
-
A
-
V
-
K
P
Y
I
N
I
V
A
V
N
D
K
D
L
D
N
K
T
Y
A
---
K
I
V
E
L
Y
H
S
K
E
A
Q
K
A
L
Q
E
D
V
K
-
D
G
E
K
-
P
V
---------------
25
SP3
86.77
26%
-43
- C2 -
1XS5
-
TPN32_TREPA
A:
[1-240]
---------------------------
K
D
E
T
V
G
V
G
V
L
S
E
P
--
H
A
R
L
L
-
E
I
A
K
E
E
V
K
-
K
Q
-
H
I
E
L
R
I
V
E
F
T
N
Y
V
A
L
N
E
A
V
M
R
G
D
I
L
M
N
F
F
Q
H
V
P
H
M
Q
Q
F
N
Q
E
H
-
N
G
-
D
L
V
S
-
V
G
N
V
H
V
E
P
L
A
L
Y
S
------
R
T
Y
R
H
V
S
D
F
P
A
G
A
V
I
A
I
P
N
D
S
S
N
E
A
R
A
L
R
L
L
E
A
A
G
F
I
R
M
R
A
G
-
S
G
L
-
F
-
A
T
V
E
D
V
Q
Q
N
V
R
N
V
V
L
-
Q
E
V
E
S
A
--
L
L
P
R
V
F
D
Q
--
V
D
G
A
V
I
N
G
N
Y
A
I
M
A
G
L
S
-
A
R
R
---
D
G
-
L
-
A
V
E
P
-----
D
-
A
-
S
A
Y
A
N
V
L
V
V
K
R
---
G
N
E
A
D
A
R
V
Q
A
V
L
R
A
L
C
G
G
R
V
R
T
Y
L
K
E
R
Y
K
-
G
G
E
V
A
P
A
---------------
40
HHSearch
86.36
35%
-40
- C2 -
4EF1
-
?
A:
[3-245]
----------------------------
D
S
V
L
K
V
G
A
S
P
V
--
P
H
A
E
I
L
-
E
H
V
K
P
L
L
E
-
K
E
-
G
V
K
L
E
V
T
T
Y
T
D
Y
V
L
P
N
K
A
L
E
S
G
D
I
D
A
N
Y
F
Q
H
V
P
F
F
N
E
A
V
K
E
N
-
D
Y
-
D
F
V
N
-
A
G
A
I
H
L
E
P
V
G
L
Y
S
------
K
K
Y
K
S
L
Q
E
I
P
D
G
S
T
I
Y
V
S
S
S
V
S
D
W
P
R
V
L
T
I
L
E
D
A
G
L
I
T
L
K
E
G
-
V
D
R
-
T
T
A
T
F
D
D
I
D
K
N
T
K
K
L
K
F
N
H
E
S
D
P
A
--
I
M
T
T
L
Y
D
N
EE
G
A
A
V
L
I
N
S
N
F
A
V
D
Q
G
L
N
-
P
K
K
---
D
A
-
I
-
A
L
E
K
E
S
-------
S
P
Y
A
N
I
I
A
V
R
K
E
---
D
E
N
N
E
N
V
K
K
L
V
K
V
L
R
S
K
E
V
Q
D
W
I
T
K
K
W
N
-
G
A
I
V
-
P
V
N
--------------
11
PsiBlast_PDB
85.41
33%
-47
- C2 -
4EF2
3
?
A:
[2-244]
---------------------------
D
D
S
V
L
K
V
G
A
S
P
V
P
H
A
--
E
I
L
-
E
H
V
K
P
L
L
E
-
K
E
-
G
V
K
L
E
V
T
T
Y
T
D
Y
V
L
P
N
K
A
L
E
S
G
D
I
D
A
N
Y
F
Q
H
V
P
F
F
N
E
A
V
K
E
N
-
D
Y
-
D
F
V
N
-
A
G
A
I
H
L
E
P
V
G
L
Y
S
------
K
K
Y
K
S
L
Q
E
I
P
D
G
S
T
I
Y
V
S
S
S
V
S
D
W
P
R
V
L
T
I
L
E
D
A
G
L
I
T
L
K
E
G
-
V
D
R
T
T
-
A
T
F
D
D
I
D
K
N
T
K
K
L
K
F
N
H
E
S
D
P
A
I
M
T
T
L
Y
D
N
E
E
--
G
A
A
V
L
I
N
S
N
F
A
V
D
Q
G
L
N
-
P
-
K
KDA
I
A
-
L
-
E
K
E
--------
S
-
S
P
Y
A
N
I
I
A
V
R
---
K
E
D
E
N
N
E
N
V
K
K
L
V
K
V
L
R
S
K
E
V
Q
D
W
I
T
K
K
W
N
-
G
A
I
V
-
P
V
---------------
44
HHSearch
85.07
33%
-49
- C2 -
3K2D
-
?
A:
[4-237]
---------------------------
D
T
S
K
V
K
V
G
V
M
A
G
A
--
E
A
Q
V
A
-
E
V
A
A
K
V
A
K
-
E
K
Y
G
L
D
V
E
L
V
T
F
T
D
Y
V
T
P
N
A
A
L
D
D
G
S
I
D
M
N
A
F
Q
H
K
P
Y
L
D
R
Q
V
E
D
R
-
D
Y
-
K
L
T
I
-
A
G
N
T
F
V
Y
P
I
A
G
Y
S
------
K
Q
V
K
S
V
A
A
L
A
D
G
V
R
I
A
V
P
N
D
P
T
N
L
G
R
S
L
L
L
L
E
Q
Q
G
L
I
K
L
R
P
E
-
V
G
L
-
L
-
A
T
V
R
D
I
V
E
N
P
K
N
I
T
I
-
M
E
L
D
A
A
--
Q
L
P
R
S
L
D
D
--
V
A
L
S
I
I
N
T
T
Y
A
S
S
I
N
L
T
-
P
E
K
---
D
G
-
V
-
F
V
E
D
K
E
-------
S
P
Y
V
N
L
I
V
A
R
Q
D
---
N
V
Q
N
E
N
V
Q
N
F
V
K
A
Y
Q
T
E
E
V
Y
T
A
A
K
E
I
F
K
-----------------------
41
HHSearch
84.21
34%
-42
- C2 -
4GOT
-
METQ_BACSU
A:
[3-248]
--------------------------
S
G
K
K
E
I
V
V
A
A
T
K
T
P
--
H
A
E
I
L
-
K
E
A
E
P
L
L
K
-
E
K
-
G
Y
T
L
K
V
K
V
L
S
D
Y
K
M
Y
N
K
A
L
A
D
K
E
V
D
A
N
Y
F
Q
H
I
P
Y
L
E
Q
E
M
K
E
N
T
D
Y
-
K
L
V
N
-
A
G
A
V
H
L
E
P
F
G
I
Y
S
------
K
T
Y
K
S
L
K
D
L
P
D
G
A
T
I
I
L
T
N
N
V
A
E
Q
G
R
M
L
A
M
L
E
N
A
G
L
I
T
L
D
S
K
-
V
E
T
V
D
-
A
T
L
K
D
I
K
K
N
P
K
N
L
E
F
-
K
K
V
A
P
E
--
L
T
A
K
A
Y
E
N
KE
G
D
A
V
F
I
N
V
N
Y
A
I
Q
N
K
L
N
-
P
K
K
---
D
A
-
I
-
E
V
E
S
T
----
K
-
N
-
N
P
Y
A
N
I
I
A
V
R
K
G
---
E
E
D
S
A
K
I
K
A
L
M
E
V
L
H
S
K
K
I
K
D
F
I
E
K
K
Y
D
-
G
A
V
L
-
P
V
S
--------------
38
HHSearch
83.88
30%
-41
- C2 -
4NTL
3
?
A:
[6-247]
----------------------------
D
K
E
I
T
V
A
V
Q
L
E
--
S
S
K
D
I
L
-
E
I
A
K
K
E
A
E
-
K
K
-
G
Y
K
I
N
I
M
E
V
S
D
N
V
A
Y
N
D
A
V
Q
H
D
E
A
D
A
N
F
A
Q
H
Q
P
F
M
E
M
F
N
K
E
K
-
K
A
-
D
L
V
A
-
V
Q
P
I
Y
Y
F
A
G
G
F
Y
S
------
K
E
Y
Q
D
A
K
D
L
P
E
N
A
K
V
G
I
P
S
D
P
T
N
E
G
R
A
L
A
I
L
N
A
N
G
V
I
K
L
K
E
G
-
V
G
F
-
N
-
G
T
V
A
D
V
V
E
N
P
K
N
I
T
F
-
E
S
I
D
L
L
--
N
L
A
K
A
Y
D
E
KD
I
A
M
V
F
C
Y
P
A
Y
L
E
P
A
G
L
T
-
T
-
K
---
D
A
-
I
-
L
L
E
D
K
E
-
A
---
S
-
K
H
Y
A
L
Q
V
V
T
R
K
G
---
E
K
D
S
E
K
I
K
V
L
K
E
A
M
T
T
K
E
V
A
E
Y
I
K
K
N
S
K
-
G
A
N
I
-
P
A
F
--------------
3
PsiBlast_PDB
83.75
35%
-33
- C2 -
4IB2
2
?
A:
[6-246]
------------------------
S
S
E
D
A
K
T
I
K
V
A
A
S
A
T
P
H
A
--
E
I
L
-
E
Q
A
K
S
I
L
K
-
K
E
-
G
Y
Q
L
E
V
T
V
F
D
D
Y
V
Q
P
N
E
V
V
E
S
G
E
F
D
A
N
Y
F
Q
H
V
P
Y
L
E
S
F
N
E
E
K
-
G
T
-
H
L
V
D
-
A
G
D
I
H
Y
E
P
F
G
I
Y
P
G
T
K
K
------
S
L
D
E
I
S
E
G
D
K
I
A
V
P
N
D
T
T
N
E
A
R
A
L
L
L
L
Q
D
N
G
I
I
T
L
K
D
G
-
A
G
L
-
N
-
A
T
V
N
D
I
E
E
N
P
Y
N
V
E
I
-
V
E
L
E
A
A
--
Q
V
A
R
V
T
G
E
--
T
A
Y
V
V
L
N
G
N
Y
A
L
E
A
G
Y
S
-
V
A
K
---
D
A
-
L
A
Y
E
K
S
D
S
-
E
-
A
-
A
-
K
T
Y
V
N
I
I
A
V
K
E
G
N
E
K
E
E
K
---
I
Q
A
L
V
K
A
L
K
S
D
E
I
K
E
Y
I
E
K
T
Y
D
-
G
---------------------
10
PsiBlast_PDB
83.74
33%
-40
- C2 -
4EF1
-
?
A:
[2-244]
---------------------------
D
D
S
V
L
K
V
G
A
S
P
V
P
H
A
--
E
I
L
-
E
H
V
K
P
L
L
E
-
K
E
-
G
V
K
L
E
V
T
T
Y
T
D
Y
V
L
P
N
K
A
L
E
S
G
D
I
D
A
N
Y
F
Q
H
V
P
F
F
N
E
A
V
K
E
N
-
D
Y
-
D
F
V
N
-
A
G
A
I
H
L
E
P
V
G
L
Y
S
------
K
K
Y
K
S
L
Q
E
I
P
D
G
S
T
I
Y
V
S
S
S
V
S
D
W
P
R
V
L
T
I
L
E
D
A
G
L
I
T
L
K
E
G
-
V
D
R
T
T
-
A
T
F
D
D
I
D
K
N
T
K
K
L
K
F
N
H
E
S
D
P
A
I
M
T
T
L
Y
D
N
E
E
--
G
A
A
V
L
I
N
S
N
F
A
V
D
Q
G
L
N
-
P
-
K
KDA
I
A
-
L
-
E
K
E
--------
S
-
S
P
Y
A
N
I
I
A
V
R
---
K
E
D
E
N
N
E
N
V
K
K
L
V
K
V
L
R
S
K
E
V
Q
D
W
I
T
K
K
W
N
-
G
A
I
V
-
P
V
---------------
46
HHSearch
82.42
32%
-43
* C2 *
3TQW
-
?
A:
[4-240]
------------------------------
M
V
R
V
G
T
I
A
G
P
--
E
T
Q
L
M
-
E
V
A
K
Q
V
A
L
N
R
Y
-
G
L
H
V
N
I
I
T
F
S
D
Y
N
T
P
N
E
A
L
A
D
G
S
V
D
A
N
M
F
Q
H
L
P
Y
L
K
A
Q
I
E
M
R
-
G
Y
-
K
I
V
S
-
I
G
K
T
F
V
Y
P
M
G
L
Y
S
------
K
K
I
T
A
L
T
Q
L
K
T
G
A
K
I
A
V
P
S
D
P
S
N
E
A
R
A
L
L
L
L
E
K
A
Q
L
I
Q
L
K
T
H
---
I
-
N
-
A
T
P
M
D
I
A
S
N
P
K
K
L
K
I
-
V
E
L
D
A
A
--
Q
L
S
R
S
L
G
D
--
V
D
L
A
A
I
N
T
N
Y
A
I
P
A
G
L
S
-
P
S
R
---
D
A
-
L
-
L
T
E
G
P
N
-------
S
P
Y
A
N
V
V
A
V
R
E
D
---
D
K
N
D
P
R
L
K
Q
L
V
S
A
L
H
S
P
A
V
L
S
A
A
K
K
I
F
G
-
D
G
A
I
-
P
A
---------------
37
HHSearch
80.72
32%
-31
- C2 -
3IR1
-
?
A:
[1-238]
-----------------------------
K
E
I
V
F
G
T
T
V
G
--
D
F
G
D
M
V
K
E
Q
I
Q
P
E
L
E
-
K
K
-
G
Y
T
V
K
L
V
E
F
T
D
Y
V
R
P
N
L
A
L
A
E
G
E
L
D
I
N
V
F
Q
H
K
P
Y
L
D
D
F
K
K
E
H
-
N
L
-
D
I
T
E
-
V
F
Q
V
P
T
A
P
L
G
L
Y
P
------
G
K
L
K
S
L
E
E
V
K
D
G
S
T
V
S
A
P
N
D
P
S
N
F
A
R
V
L
V
M
L
D
E
L
G
W
I
K
L
K
D
G
I
N
P
L
-
T
-
A
S
K
A
D
I
A
E
N
L
K
N
I
K
I
-
V
E
L
E
A
A
--
Q
L
P
R
S
R
A
D
--
V
D
F
A
V
V
N
G
N
Y
A
I
S
S
G
M
K
-
L
-
T
---
E
A
-
L
--
F
Q
E
P
S
-------
F
A
Y
V
N
W
S
A
V
K
T
A
---
D
K
D
S
Q
W
L
K
D
V
T
E
A
Y
N
S
D
A
F
K
A
Y
A
H
K
R
F
E
-
G
Y
K
S
-
P
A
A
--------------
43
HHSearch
80.59
32%
-32
- C2 -
3GXA
-
?
A:
[23-260]
-----------------------------
K
E
I
V
F
G
T
T
V
G
D
--
F
G
D
M
V
K
E
Q
I
Q
P
E
L
E
-
K
K
-
G
Y
T
V
K
L
V
E
F
T
D
Y
V
R
P
N
L
A
L
A
E
G
E
L
D
I
N
V
F
Q
H
K
P
Y
L
D
D
F
K
K
E
H
-
N
L
-
D
I
T
E
-
V
F
Q
V
P
T
A
P
L
G
L
Y
P
------
G
K
L
K
S
L
E
E
V
K
D
G
S
T
V
S
A
P
N
D
P
S
N
F
A
R
V
L
V
M
L
D
E
L
G
W
I
K
L
K
D
G
I
N
P
L
-
T
-
A
S
K
A
D
I
A
E
N
L
K
N
I
K
I
-
V
E
L
E
A
A
--
Q
L
P
R
S
R
A
D
--
V
D
F
A
V
V
N
G
N
Y
A
I
S
S
G
M
K
-
L
-
T
---
E
A
-
L
--
F
Q
E
P
S
-------
F
A
Y
V
N
W
S
A
V
K
T
A
D
---
K
D
S
Q
W
L
K
D
V
T
E
A
Y
N
S
D
A
F
K
A
Y
A
H
K
R
F
E
-
G
Y
K
S
-
P
A
A
--------------
User Run . : Multi Template Modeling Result:
(4 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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
K
L
K
K
I
L
G
L
L
G
L
A
L
A
A
A
F
V
L
T
ACGQKNDK
N
T
L
T
V
G
V
M
TMTDS
D
K
E
R
W
D
K
I
E
E
L
L
K
KEN
I
K
L
K
F
KEFTDYSQPNKALKNG
E
I
D
INS
F
Q
H
YN
F
L
NNWNKENKG
D
L
V
T
V
A
E
T
YIS
P
I
NLFSGTENGKAKYSSAKEIPNG
G
Q
I
AIPNDATNE
S
R
A
L
Y
V
L
QDA
G
L
I
K
L
NVSGDEL
A
T
V
K
NIKSNPKNL
D
I
K
EV
D
A
S
Q
T
A
R
N
L
A
S
V
D
A
A
VVNNSYAV
P
A
K
I
D
F
K
T
S
L
Y
K
E
K
VNEG
S
K
Q
W
I
N
I
IAAQKN
W
K
K
S
K
K
A
A
A
I
K
K
L
I
K
A
Y
H
T
D
A
V
K
K
V
I
K
K
T
AKGVDEPVW
63
93.71
100%
-49
- C- -
M063
-
A:
[28-287]
---------------------------
D
K
N
T
L
T
V
G
V
M
T
M
T
D
S
D
K
E
R
W
D
K
I
E
E
L
L
K
K
E
N
I
K
L
K
F
K
E
F
T
D
Y
S
Q
P
N
K
A
L
K
N
G
E
I
D
I
N
S
F
Q
H
Y
N
F
L
N
N
W
N
K
E
N
K
G
D
L
V
T
V
A
E
T
Y
I
S
P
I
N
L
F
S
G
T
E
N
G
K
A
K
Y
S
S
A
K
E
I
P
N
G
G
Q
I
A
I
P
N
D
A
T
N
E
S
R
A
L
Y
V
L
Q
D
A
G
L
I
K
L
N
V
S
G
D
E
L
A
T
V
K
N
I
K
S
N
P
K
N
L
D
I
K
E
V
D
A
S
Q
T
A
R
N
L
A
S
V
D
A
A
V
V
N
N
S
Y
A
V
P
A
K
I
D
F
K
T
S
L
Y
K
E
K
V
N
E
G
S
K
Q
W
I
N
I
I
A
A
Q
K
N
W
K
K
S
K
K
A
A
A
I
K
K
L
I
K
A
Y
H
T
D
A
V
K
K
V
I
K
K
T
A
K
G
V
D
E
P
V
W
62
93.67
100%
-43
- C- -
M062
-
A:
[28-286]
---------------------------
D
K
N
T
L
T
V
G
V
M
T
M
T
D
S
D
K
E
R
W
D
K
I
E
E
L
L
K
K
E
N
I
K
L
K
F
K
E
F
T
D
Y
S
Q
P
N
K
A
L
K
N
G
E
I
D
I
N
S
F
Q
H
Y
N
F
L
N
N
W
N
K
E
N
K
G
D
L
V
T
V
A
E
T
Y
I
S
P
I
N
L
F
S
G
T
E
N
G
K
A
K
Y
S
S
A
K
E
I
P
N
G
G
Q
I
A
I
P
N
D
A
T
N
E
S
R
A
L
Y
V
L
Q
D
A
G
L
I
K
L
N
V
S
G
D
E
L
A
T
V
K
N
I
K
S
N
P
K
N
L
D
I
K
E
V
D
A
S
Q
T
A
R
N
L
A
S
V
D
A
A
V
V
N
N
S
Y
A
V
P
A
K
I
D
F
K
T
S
L
Y
K
E
K
V
N
E
G
S
K
Q
W
I
N
I
I
A
A
Q
K
N
W
K
K
S
K
K
A
A
A
I
K
K
L
I
K
A
Y
H
T
D
A
V
K
K
V
I
K
K
T
A
K
G
V
D
E
P
V
W
75
92.38
100%
-45
- C- -
M075
-
A:
[24-287]
-----------------------
G
Q
K
N
D
K
N
T
L
T
V
G
V
M
T
M
T
D
S
D
K
E
R
W
D
K
I
E
E
L
L
K
K
E
N
I
K
L
K
F
K
E
F
T
D
Y
S
Q
P
N
K
A
L
K
N
G
E
I
D
I
N
S
F
Q
H
Y
N
F
L
N
N
W
N
K
E
N
K
G
D
L
V
T
V
A
E
T
Y
I
S
P
I
N
L
F
S
G
T
E
N
G
K
A
K
Y
S
S
A
K
E
I
P
N
G
G
Q
I
A
I
P
N
D
A
T
N
E
S
R
A
L
Y
V
L
Q
D
A
G
L
I
K
L
N
V
S
G
D
E
L
A
T
V
K
N
I
K
S
N
P
K
N
L
D
I
K
E
V
D
A
S
Q
T
A
R
N
L
A
S
V
D
A
A
V
V
N
N
S
Y
A
V
P
A
K
I
D
F
K
T
S
L
Y
K
E
K
V
N
E
G
S
K
Q
W
I
N
I
I
A
A
Q
K
N
W
K
K
S
K
K
A
A
A
I
K
K
L
I
K
A
Y
H
T
D
A
V
K
K
V
I
K
K
T
A
K
G
V
D
E
P
V
W
73
88.76
100%
-41
- C- -
M073
-
A:
[24-283]
-----------------------
G
Q
K
N
D
K
N
T
L
T
V
G
V
M
T
M
T
D
S
D
K
E
R
W
D
K
I
E
E
L
L
K
K
E
N
I
K
L
K
F
K
E
F
T
D
Y
S
Q
P
N
K
A
L
K
N
G
E
I
D
I
N
S
F
Q
H
Y
N
F
L
N
N
W
N
K
E
N
K
G
D
L
V
T
V
A
E
T
Y
I
S
P
I
N
L
F
S
G
T
E
N
G
K
A
K
Y
S
S
A
K
E
I
P
N
G
G
Q
I
A
I
P
N
D
A
T
N
E
S
R
A
L
Y
V
L
Q
D
A
G
L
I
K
L
N
V
S
G
D
E
L
A
T
V
K
N
I
K
S
N
P
K
N
L
D
I
K
E
V
D
A
S
Q
T
A
R
N
L
A
S
V
D
A
A
V
V
N
N
S
Y
A
V
P
A
K
I
D
F
K
T
S
L
Y
K
E
K
V
N
E
G
S
K
Q
W
I
N
I
I
A
A
Q
K
N
W
K
K
S
K
K
A
A
A
I
K
K
L
I
K
A
Y
H
T
D
A
V
K
K
V
I
K
K
T
A
K
G
V
D
E
P
V
W