@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 : T0849: (2014-07-09 )
MNEPIILRYFPVLGRAQALRHALADAELAFRDLRIPLEQWSQHKDSDAGGPYGSLPTLRWHGVEVAETIAIASFLARSLGHYEGRDNGEIARLEAVVSLCYTEVSLQIAQLLWLDLFNPGVDLAAAVPLQFGRLVARLTRLEAHTPEAGWFGGERPVMADYFAAEAIEALRYLLGREHDDALRTRLPHLCALARRMAQRPALAQAWSTRPQTFTAHPDEAAMLERLRALPLAATIGASME
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MN-E
P
I
I
L
R
YFPVL
G
R
A
Q
A
L
R
H
A
L
A
D
A
E
L
A
F
R
DLRI
P
-
L
--------
E
Q
W
SQHKDSDAGGPYGSL
P
T
L
R
WHG-----
V
E
V
A
E
T
I
A
I
A
S
F
L
A
R
S
LGHYEGRDNG
E
I
A
R
L
E
A
V
V
S
L
C
Y
T
E
V
S
L
Q
I
A
Q
L
L
W
L
D
L---FNPGV
D
L
A
A
A
V
P
L
Q
F
----
G
R
-
L
V
A
R
L
T
R
LEAHT---PE----A--GWFGGERP
V
M
A
D
Y
F
A
A
E
A
I
E
A
L
R
Y
L
LGRE-H
D
D
A
L
R
T
R
L
P
H
L
C
A
L
A
R
R
M
-AQR
P
A
L
A
Q
A
WSTRP
Q
T
F
TAHP
D
E
A
A
M
L
E
R
L
R
ALP
L
A
ATIGASME
6
PsiBlast_PDB
86.55
26%
-100
- C2 -
1LBK
1
GSTA1_HUMAN (first)
A:
[2-208]
----
P
Y
T
V
V
Y
F
P
V
R
G
R
C
A
A
L
R
M
L
L
A
D
Q
G
Q
S
W
K
E
E
V
V
T
-
V
--------
E
T
W
-
Q
E
G
S
L
K
A
S
C
L
Y
G
Q
L
P
K
F
Q
D
G
D
-----
L
T
L
Y
Q
S
N
T
I
L
R
H
L
G
R
T
L
G
L
Y
-
G
K
D
Q
Q
E
A
A
L
V
D
-
M
V
N
D
G
V
E
D
L
R
C
K
Y
I
S
L
I
Y
T
N
Y
---
E
A
G
K
D
D
Y
V
K
A
L
P
-------
G
Q
-
L
K
P
F
E
T
L
L
S
Q
N
Q
---
G
G
----
K
--
T
F
I
V
G
D
Q
I
S
F
A
D
Y
N
L
L
D
L
L
-
L
I
H
E
V
L
A
P
G
-
C
L
D
A
----
F
P
L
L
S
A
Y
V
G
R
L
-
S
A
R
P
K
L
-
K
A
F
L
A
S
P
E
Y
V
N
L
P
M
D
E
K
S
L
------------------
39
HHSearch
82.32
21%
-112
- C2 -
1K3Y
3
GSTA1_HUMAN
A:
[1-219]
-
A
-
E
K
P
K
L
H
Y
F
N
A
R
G
R
M
E
S
T
R
W
L
L
A
A
A
G
V
E
F
E
E
K
F
I
K
S
A
--------
E
D
L
D
K
L
R
N
D
-
G
Y
L
M
F
Q
Q
V
P
M
V
E
I
D
G
-----
M
K
L
V
Q
T
R
A
I
L
N
Y
I
A
S
K
Y
N
L
Y
-
G
K
D
I
K
E
R
A
L
I
D
M
Y
I
E
G
I
A
-
D
L
G
E
M
I
L
L
L
P
V
C
P
P
---
E
-
E
K
D
---
A
K
L
A
L
I
K
----
E
K
I
K
N
R
Y
F
P
A
F
E
K
V
L
K
S
-
H
G
----
Q
--
D
Y
L
V
G
N
K
L
S
R
A
D
I
H
L
V
E
L
L
Y
Y
V
E
E
L
-
D
-----
S
S
L
I
S
S
F
P
L
L
K
A
L
K
T
R
I
-
S
N
L
P
T
V
K
K
F
L
Q
P
G
S
--
P
R
K
P
P
M
D
E
K
S
L
E
E
A
R
K
I
F
----------
48
HHSearch
82.08
21%
-120
* C2 *
1TU7
1
GSTP_ONCVO
A:
[1-200]
---
M
S
Y
K
L
T
Y
F
S
I
R
G
L
A
E
P
I
R
L
F
L
V
D
Q
D
I
K
F
I
D
D
R
I
A
-
K
--------
D
D
F
S
S
I
K
S
Q
---
F
Q
F
G
Q
L
P
C
L
Y
D
G
D
-----
Q
Q
I
V
Q
S
G
A
I
L
R
H
L
A
R
K
Y
N
L
N
-
G
E
N
E
M
E
T
T
Y
I
D
M
F
C
E
G
V
-
R
D
L
H
V
K
Y
T
R
M
I
Y
M
A
Y
---
E
---
T
E
K
D
P
---
Y
I
K
----
S
I
-
L
P
G
E
L
A
K
F
E
K
L
L
---
A
T
RGNG
R
--
N
L
I
L
G
D
K
I
S
Y
A
D
Y
A
L
F
E
E
L
D
V
H
Q
I
L
-
D
-----
P
H
C
L
D
K
F
P
L
L
K
V
F
H
Q
R
M
-
K
D
R
P
K
L
K
E
Y
C
E
K
R
D
A
A
K
V
--------------------------
52
HHSearch
81.94
24%
-113
- C2 -
1M0U
1
GST1_DROME
A:
[48-248]
---
H
S
Y
T
L
F
Y
F
N
V
K
A
L
A
E
P
L
R
Y
L
F
A
Y
G
N
Q
E
Y
E
D
V
R
V
T
-
R
--------
D
E
W
P
A
L
K
P
T
---
M
P
M
G
Q
M
P
V
L
E
V
D
G
-----
K
R
V
H
Q
S
I
S
M
A
R
F
L
A
K
T
V
G
L
C
-
G
A
T
P
W
E
D
L
Q
I
D
I
V
V
D
T
I
-
N
D
F
R
L
K
I
A
V
V
S
Y
E
P
E
---
D
E
I
K
E
K
K
--
L
V
T
L
N
A
----
E
V
-
I
P
F
Y
L
E
K
L
E
Q
T
V
---
K
D
----
N
D
-
G
H
L
A
L
G
K
L
T
W
A
D
V
Y
F
A
G
I
T
D
Y
M
N
Y
M
V
K
-----
R
D
L
L
E
P
Y
P
A
L
R
G
V
V
D
A
V
-
N
A
L
E
P
I
K
A
W
I
E
K
R
P
V
T
E
---------------------------
13
PsiBlast_PDB
81.79
26%
-108
- C2 -
1EOH
-
GSTP1_HUMAN
A:
[2-197]
----
P
Y
T
V
V
Y
F
P
V
R
G
R
C
A
A
L
R
M
L
L
A
D
Q
G
Q
S
W
K
E
E
V
V
T
-
V
--------
E
T
W
-
Q
E
G
S
L
K
A
S
C
L
Y
G
Q
L
P
K
F
Q
D
G
D
-----
L
T
L
Y
Q
S
N
T
I
L
R
H
L
G
R
T
L
G
L
Y
-
G
K
D
Q
Q
E
A
A
L
V
D
-
M
V
N
D
G
V
E
D
L
R
C
K
Y
I
S
L
I
Y
T
N
Y
---
E
A
G
K
D
D
Y
V
K
A
L
P
G
Q
L
----
K
P
-
F
E
T
L
L
S
Q
N
Q
------------------
G
G
K
T
F
I
V
G
D
Q
I
S
F
A
A
Y
N
L
L
D
L
L
L
I
H
E
V
L
A
P
G
C
L
D
A
F
P
L
L
S
A
Y
V
G
R
L
-
S
A
R
P
K
L
-
K
A
F
L
A
S
P
E
-----------------------------
10
PsiBlast_PDB
81.67
25%
-103
- C2 -
3O76
-
GSTP1_MOUSE
A:
[2-197]
----
P
Y
T
I
V
Y
F
P
V
R
G
R
C
E
A
M
R
M
L
L
A
D
Q
G
Q
S
W
K
E
E
V
V
T
-
I
--------
D
T
W
M
Q
G
L
L
K
P
T
-
A
L
Y
G
Q
L
P
K
F
E
D
G
D
-----
L
T
L
Y
Q
S
N
A
I
L
R
H
L
G
R
S
L
G
L
Y
-
G
K
N
Q
R
E
A
A
Q
M
D
-
M
V
N
D
G
V
E
D
L
R
G
K
Y
V
T
L
I
Y
T
N
Y
---
E
N
G
K
N
D
Y
V
K
A
L
P
-------
G
H
-
L
K
P
F
E
T
L
L
S
Q
N
Q
---
G
G
----
K
--
A
F
I
V
G
D
Q
I
S
F
A
D
Y
N
L
L
D
L
L
-----
L
I
H
Q
V
-
L
A
P
G
C
L
D
N
F
P
L
L
S
A
Y
V
A
R
L
-
S
A
R
P
K
I
-
K
A
F
L
S
S
P
E
-----------------------------
35
HHSearch
81.60
23%
-110
- C2 -
2GSQ
-
GST_NOTSL
A:
[1-201]
---
P
K
Y
T
L
H
Y
F
P
L
M
G
R
A
E
L
C
R
F
V
L
A
A
H
G
E
E
F
T
D
R
V
V
E
-
M
--------
A
D
W
P
N
L
K
A
T
---
M
Y
S
N
A
M
P
V
L
D
I
D
G
-----
T
K
M
S
Q
S
M
C
I
A
R
H
L
A
R
E
F
G
L
D
-
G
K
T
S
L
E
K
Y
R
V
D
E
I
T
E
T
L
-
Q
D
I
F
N
D
V
V
K
I
K
F
A
P
E
---
A
A
-
K
E
A
---
V
Q
Q
N
Y
E
----
K
S
-
C
K
R
L
A
P
F
L
E
G
L
L
V
S
N
G
G
G---
D
--
G
F
F
V
G
N
S
M
T
L
A
D
L
H
C
Y
V
A
L
E
V
P
L
K
H
T
------
P
E
L
L
K
D
C
P
K
I
V
A
L
R
K
R
V
-
A
E
C
P
K
I
A
A
Y
L
K
K
R
P
V
R
D
---------------------------
11
PsiBlast_PDB
81.22
25%
-105
- C2 -
2OAD
-
GSTP1_MOUSE
A:
[2-197]
----
P
Y
T
I
V
Y
F
P
V
R
G
R
C
E
A
M
R
M
L
L
A
D
Q
G
Q
S
W
K
E
E
V
V
T
-
I
--------
D
T
W
M
Q
G
L
L
K
P
T
-
C
L
Y
G
Q
L
P
K
F
E
D
G
D
-----
L
T
L
Y
Q
S
N
A
I
L
R
H
L
G
R
S
L
G
L
Y
-
G
K
N
Q
R
E
A
A
Q
M
D
-
M
V
N
D
G
V
E
D
L
R
G
K
Y
V
T
L
I
Y
T
N
Y
---
E
N
G
K
N
D
Y
V
K
A
L
P
-------
G
H
-
L
K
P
F
E
T
L
L
S
Q
N
Q
---
G
G
----
K
--
A
F
I
V
G
D
Q
I
S
F
A
D
Y
N
L
L
D
L
L
L
I
H
Q
V
L
A
P
G
A
-
L
D
N
-----
F
P
L
L
S
A
Y
V
A
R
L
-
S
A
R
P
K
I
-
K
A
F
L
S
S
P
E
-----------------------------
8
PsiBlast_PDB
80.98
25%
-104
- C2 -
2OAC
-
GSTP1_MOUSE
A:
[2-197]
----
P
Y
T
I
V
Y
F
P
V
R
G
R
A
E
A
M
R
M
L
L
A
D
Q
G
Q
S
W
K
E
E
V
V
T
-
I
--------
D
T
W
M
Q
G
L
L
K
P
T
-
C
L
Y
G
Q
L
P
K
F
E
D
G
D
-----
L
T
L
Y
Q
S
N
A
I
L
R
H
L
G
R
S
L
G
L
Y
-
G
K
N
Q
R
E
A
A
Q
M
D
-
M
V
N
D
G
V
E
D
L
R
G
K
Y
V
T
L
I
Y
T
N
Y
---
E
N
G
K
N
D
Y
V
K
A
L
P
-------
G
H
-
L
K
P
F
E
T
L
L
S
Q
N
Q
---
G
G
----
K
--
A
F
I
V
G
D
Q
I
S
F
A
D
Y
N
L
L
D
L
L
-----
L
I
H
Q
V
-
L
A
P
G
C
L
D
N
F
P
L
L
S
A
Y
V
A
R
L
-
S
A
R
P
K
I
-
K
A
F
L
S
S
P
E
-----------------------------
38
HHSearch
80.75
21%
-123
- C2 -
2WB9
1
?
A:
[2-210]
-
D
K
Q
H
F
K
L
W
Y
F
Q
F
R
G
R
A
E
P
I
R
L
L
L
T
C
A
G
V
K
F
E
D
Y
Q
F
T
-
M
--------
D
Q
W
P
T
I
K
P
T
---
L
P
G
G
R
V
P
L
L
D
V
T
G
PDG
K
L
R
R
Y
Q
E
S
M
A
I
A
R
L
L
A
R
Q
F
K
M
M
-
G
E
T
D
E
E
Y
Y
L
I
E
R
I
I
G
E
C
-
E
D
L
Y
R
E
V
Y
T
I
F
R
T
P
Q
---
G
E
-
K
E
A
K
--
I
K
E
F
K
E
----
N
N
-
G
P
T
L
L
K
L
V
S
E
S
L
---
E
S
----
S
GG
K
H
V
A
G
N
R
I
T
L
G
D
L
F
L
F
T
T
L
T
H
V
M
E
T
V
P
-----
G
F
L
E
Q
K
F
P
K
L
H
E
F
H
K
S
L
P
T
S
C
S
R
L
S
E
Y
L
K
K
R
A
K
T
P
---------------------------
53
HHSearch
80.56
25%
-108
- C2 -
2HNL
-
GST1_ONCVO
A:
[26-224]
---
E
K
Y
T
L
T
Y
F
N
G
R
G
R
A
E
V
I
R
L
L
F
A
L
A
N
V
S
Y
E
D
N
R
I
T
-
R
--------
D
E
W
K
Y
L
K
P
R
---
T
P
F
G
H
V
P
M
L
N
V
S
G
-----
N
V
L
G
E
S
H
A
I
E
L
L
L
G
G
R
F
G
L
L
-
G
T
N
D
W
E
E
A
K
I
M
A
V
V
L
N
I
-
D
E
L
F
Q
K
L
I
P
W
T
H
E
K
N
---
T
T
K
K
A
E
--
L
F
R
N
L
S
E
----
S
D
-
V
M
P
F
L
G
R
Y
E
K
F
L
---
K
E
S---
T
T-
G
H
I
V
G
N
K
V
S
V
A
D
L
T
V
F
N
M
L
M
T
L
D
D
E
V
------
K
--
L
E
E
Y
P
Q
L
A
S
F
V
N
K
I
-
G
Q
M
P
G
I
K
E
W
I
K
K
R
P
K
T
Y
---------------------------
55
HHSearch
80.51
19%
-119
- C2 -
3GTU
-
GSTM3_HUMAN
B:
[3-207]
-
E
-
S
S
M
V
L
G
Y
W
D
I
R
G
L
A
H
A
I
R
L
L
L
E
F
T
D
T
S
Y
E
E
K
R
Y
T
-
C
G
EAPDYDR
S
Q
W
L
D
V
K
F
K
-
L
D
L
D
F
P
N
L
P
Y
L
L
D
G
K
-----
N
K
I
T
Q
S
N
A
I
L
R
Y
I
A
R
K
H
N
M
C
-
G
E
T
E
E
E
K
I
R
V
D
I
I
E
N
Q
V
-
M
D
F
R
T
Q
L
I
R
L
C
Y
S
S
D
---
H
---
E
K
---
L
K
P
Q
Y
L
----
E
E
-
L
P
G
Q
L
K
Q
F
S
M
F
L
---
G
K
----
F
--
S
W
F
A
G
E
K
L
T
F
V
D
F
L
T
Y
D
I
L
D
Q
N
R
I
F
-
D
-----
P
K
C
L
D
E
F
P
N
L
K
A
F
M
C
R
F
-
E
A
L
E
K
I
A
A
Y
L
Q
S
D
Q
F
C
----------------------------
14
PsiBlast_PDB
79.96
26%
-101
- C2 -
1MD3
1
GSTP1_HUMAN
A:
[2-197]
----
P
Y
T
V
V
Y
F
P
V
R
G
R
C
A
A
L
R
M
L
L
A
D
Q
G
Q
S
W
K
E
E
V
V
T
-
V
--------
E
T
W
-
Q
E
G
S
L
K
A
S
C
L
Y
G
Q
L
P
K
F
Q
D
G
D
-----
L
T
L
Y
Q
S
N
T
I
L
R
H
L
G
R
T
L
G
L
Y
-
G
K
D
Q
Q
E
A
A
L
V
D
-
M
V
N
D
G
V
E
D
L
R
C
K
Y
I
S
L
I
Y
T
N
Y
---
E
A
G
K
D
D
Y
V
K
A
L
P
G
Q
L
----
K
P
-
F
E
T
L
L
S
Q
N
Q
------------------
G
G
K
T
F
I
V
A
D
Q
I
S
F
A
D
Y
N
L
L
D
L
L
L
I
H
E
V
L
A
P
G
C
L
D
A
F
P
L
L
S
A
Y
V
G
R
L
-
S
A
R
P
K
L
-
K
A
F
L
A
S
P
E
-----------------------------
16
PsiBlast_PDB
79.56
26%
-106
- C2 -
4PGT
3
GSTP1_HUMAN
A:
[3-198]
----
P
Y
T
V
V
Y
F
P
V
R
G
R
C
A
A
L
R
M
L
L
A
D
Q
G
Q
S
W
K
E
E
V
V
T
-
V
--------
E
T
W
-
Q
E
G
S
L
K
A
S
C
L
Y
G
Q
L
P
K
F
Q
D
G
D
-----
L
T
L
Y
Q
S
N
T
I
L
R
H
L
G
R
T
L
G
L
Y
-
G
K
D
Q
Q
E
A
A
L
V
D
-
M
V
N
D
G
V
E
D
L
R
C
K
Y
V
S
L
I
Y
T
N
Y
---
E
A
G
K
D
D
Y
V
K
A
L
P
-------
G
Q
-
L
K
P
F
E
T
L
L
S
Q
N
Q
---
G
G
----
K
--
T
F
I
V
G
D
Q
I
S
F
A
D
Y
N
L
L
D
L
L
-
L
I
H
E
V
L
A
P
G
-
C
L
D
A
----
F
P
L
L
S
A
Y
V
G
R
L
-
S
A
R
P
K
L
-
K
A
F
L
A
S
P
E
-----------------------------
44
HHSearch
79.01
19%
-121
- C2 -
1VF1
-
GSTA3_CHICK
A:
[3-221]
---
A
K
P
V
L
Y
Y
F
N
G
R
G
K
M
E
S
I
R
W
L
L
A
A
A
G
V
E
F
E
E
V
F
L
E
T
R
--------
E
Q
Y
E
K
L
L
Q
S
-
G
I
L
M
F
Q
Q
V
P
M
V
E
I
D
G
-----
M
K
L
V
Q
T
R
A
I
L
N
Y
I
A
G
K
Y
N
L
Y
-
G
K
D
L
K
E
R
A
L
I
D
M
Y
V
G
G
T
D
-
D
L
M
G
F
L
L
S
F
P
F
L
S
-------
A
E
D
K
V
K
Q
C
A
F
V
V
----
E
K
A
T
S
R
Y
F
P
A
Y
E
K
V
L
K
D
-
H
G
----
Q
--
D
F
L
V
G
N
R
L
S
W
A
D
I
H
L
L
E
A
I
L
M
V
E
E
K
-
K
-----
S
D
A
L
S
G
F
P
L
L
Q
A
F
K
K
R
I
-
S
S
I
P
T
I
K
K
F
L
A
P
G
S
--
K
R
K
P
I
S
D
D
K
Y
V
E
T
V
R
R
V
L
R
---------
15
PsiBlast_PDB
78.74
26%
-107
- C2 -
1EOG
-
GSTP1_HUMAN
A:
[2-197]
----
P
Y
T
V
V
Y
F
P
V
R
G
R
C
A
A
L
R
M
L
L
A
D
Q
G
Q
S
W
K
E
E
V
V
T
-
V
--------
E
T
W
-
Q
E
G
S
L
K
A
S
C
L
Y
G
Q
L
P
K
F
Q
D
G
D
-----
L
T
L
Y
Q
S
N
T
I
L
R
H
L
G
R
T
L
G
L
Y
-
G
K
D
Q
Q
E
A
A
L
V
D
-
M
V
N
D
G
V
E
D
L
R
C
K
Y
I
S
L
I
Y
T
N
Y
---
E
A
G
K
D
D
Y
V
K
A
L
P
-------
G
Q
-
L
K
P
F
E
T
L
L
S
Q
N
Q
---
G
G
----
K
--
T
F
I
V
G
D
Q
I
A
F
A
D
Y
N
L
L
D
L
L
-
L
I
H
E
V
L
A
P
G
-
C
L
D
A
----
F
P
L
L
S
A
Y
V
G
R
L
-
S
A
R
P
K
L
-
K
A
F
L
A
S
P
E
-----------------------------
47
HHSearch
78.68
25%
-109
- C2 -
2ON5
11
?
A:
[2-205]
---
V
H
Y
K
L
T
Y
F
A
G
R
G
L
A
E
P
I
R
Q
I
F
A
L
A
G
Q
K
Y
E
D
V
R
Y
T
-
F
--------
Q
E
W
P
K
H
K
D
E
---
M
P
F
G
Q
I
P
V
L
E
E
D
G
-----
K
Q
L
A
Q
S
F
A
I
A
R
Y
L
S
R
K
F
G
F
A
-
G
K
T
P
F
E
E
A
L
V
D
S
V
A
D
Q
Y
K
-
D
Y
I
N
E
I
R
P
Y
L
R
V
V
A
GV
D
Q
G
D
P
E
K
L
--
F
K
E
L
L
L
----
P
A
-
R
E
K
F
F
G
F
M
K
K
F
L
---
E
K
S
K--
S
--
G
Y
L
V
G
D
S
V
T
Y
A
D
L
C
L
A
E
H
T
S
G
I
A
A
K
F
------
P
S
I
Y
D
G
F
P
E
I
K
A
H
A
E
K
V
-
R
S
I
P
A
L
K
K
W
I
E
T
R
P
E
T
K
---------------------------
7
PsiBlast_PDB
78.27
25%
-102
- C2 -
2OA7
-
GSTP1_MOUSE
A:
[2-197]
----
P
Y
T
I
V
Y
F
P
V
R
G
R
A
E
A
M
R
M
L
L
A
D
Q
G
Q
S
W
K
E
E
V
V
T
-
I
--------
D
T
W
M
Q
G
L
L
K
P
T
-
C
L
Y
G
Q
L
P
K
F
E
D
G
D
-----
L
T
L
Y
Q
S
N
A
I
L
R
H
L
G
R
S
L
G
L
Y
-
G
K
N
Q
R
E
A
A
Q
M
D
-
M
V
N
D
G
V
E
D
L
R
G
K
Y
V
T
L
I
Y
T
N
Y
---
E
N
G
K
N
D
Y
V
K
A
L
P
-------
G
H
-
L
K
P
F
E
T
L
L
S
Q
N
Q
---
G
G
----
K
--
A
F
I
V
G
D
Q
I
S
F
A
D
Y
N
L
L
D
L
L
-----
L
I
H
Q
V
-
L
A
P
G
C
L
D
N
F
P
L
L
S
A
Y
V
A
R
L
-
S
A
R
P
K
I
-
K
A
F
L
S
S
P
E
-----------------------------
9
PsiBlast_PDB
78.07
27%
-109
- C2 -
3IE3
2
GSTP1_HUMAN
A:
[2-189]
----
P
Y
T
V
V
Y
F
P
V
R
G
R
C
A
A
L
R
M
L
L
A
D
Q
G
Q
S
W
K
E
E
V
V
T
-
V
--------
E
T
W
-
Q
E
G
S
L
K
A
S
C
L
Y
G
Q
L
P
K
F
Q
D
G
D
-----
L
T
L
Y
Q
S
N
T
I
L
R
H
L
G
R
T
L
G
L
Y
-
G
K
D
Q
Q
E
A
A
L
V
D
-
M
V
N
D
G
V
E
D
L
R
C
K
Y
A
S
L
I
Y
T
N
Y
---
E
A
G
K
D
D
Y
V
K
A
L
P
-------
G
Q
-
L
K
P
F
E
T
L
L
S
Q
N
Q
---
G
G
----
K
--
T
F
I
V
G
D
Q
I
S
F
A
D
Y
N
L
L
D
L
L
-
L
I
H
E
V
L
A
P
G
-
C
L
D
A
----
F
P
L
L
S
A
Y
V
G
R
L
-
S
A
R
P
K
L
--------------------------------------
5
PsiBlast_PDB
76.69
23%
-100
- C2 -
3W8S
3
?
A:
[6-204]
-------
L
T
Y
F
D
G
R
G
A
A
E
I
I
R
Q
I
F
V
L
A
G
Q
E
Y
E
D
I
R
L
S
-
H
--------
D
E
W
P
K
Y
K
N
E
---
M
P
F
G
Q
L
P
V
L
E
V
D
G
-----
K
K
L
A
Q
S
F
A
I
A
R
F
V
A
K
K
F
G
-
F
A
G
K
C
P
F
E
E
A
L
V
D
S
I
T
D
Q
-
Y
K
D
F
I
N
E
I
R
P
F
L
R
V
A
M
---
G
F
A
E
G
D
L
E
K
L
S
N
E
V
F
L
P
A
R
E
K
-
F
F
G
F
M
T
N
F
L
K
E
S
----
K
----
S
--
G
Y
L
V
G
D
S
L
T
F
A
D
L
Y
L
A
E
C
A
S
E
F
-----
A
K
-
K
T
P
T
I
F
D
G
F
P
E
I
K
A
H
A
E
K
V
-
R
S
N
P
A
L
K
K
W
I
E
T
R
P
E
T
----------------------------
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MNE
P
I
I
L
R
YFPVL
G
R
A
Q
A
L
R
H
A
L
A
D
A
E
L
A
F
R
DLRI
P
L
E
Q
W
SQHKDSDAGGPYGSL
P
T
L
R
WHG
V
E
V
A
E
T
I
A
I
A
S
F
L
A
R
S
LGHYEGRDNG
E
I
A
R
L
E
A
V
V
S
L
C
Y
T
E
V
S
L
Q
I
A
Q
L
L
W
L
D
LFNPGV
D
L
A
A
A
V
P
L
Q
F
G
R
L
V
A
R
L
T
R
LEAHTPEAGWFGGERP
V
M
A
D
Y
F
A
A
E
A
I
E
A
L
R
Y
L
LGREH
D
D
A
L
R
T
R
L
P
H
L
C
A
L
A
R
R
M
AQR
P
A
L
A
Q
A
WSTRP
Q
T
F
TAHP
D
E
A
A
M
L
E
R
L
R
ALP
L
A
ATIGASME
69
43.84
100%
-33
- C- -
M069
-
A:
[2-245]
M
N
E
P
I
I
L
R
Y
F
P
V
L
G
R
A
Q
A
L
R
H
A
L
A
D
A
E
L
A
F
R
D
L
R
I
P
L
E
Q
W
S
Q
H
K
D
S
D
A
G
G
P
Y
G
S
L
P
T
L
R
W
H
G
V
E
V
A
E
T
I
A
I
A
S
F
L
A
R
S
L
G
H
Y
E
G
R
D
N
G
E
I
A
R
L
E
A
V
V
S
L
C
Y
T
E
V
S
L
Q
I
A
Q
L
L
W
L
D
L
F
N
P
G
V
D
L
A
A
A
V
P
L
Q
F
G
R
L
V
A
R
L
T
R
L
E
A
H
T
P
E
A
G
W
F
G
G
E
R
P
V
M
A
D
Y
F
A
A
E
A
I
E
A
L
R
Y
L
L
G
R
E
H
D
D
A
L
R
T
R
L
P
H
L
C
A
L
A
R
R
M
A
Q
R
P
A
L
A
Q
A
W
S
T
R
P
Q
T
F
T
A
H
P
D
E
A
A
M
L
E
R
L
R
A
L
P
L
---------
72
43.43
100%
-26
- C- -
M072
-
A:
[2-245]
M
N
E
P
I
I
L
R
Y
F
P
V
L
G
R
A
Q
A
L
R
H
A
L
A
D
A
E
L
A
F
R
D
L
R
I
P
L
E
Q
W
S
Q
H
K
D
S
D
A
G
G
P
Y
G
S
L
P
T
L
R
W
H
G
V
E
V
A
E
T
I
A
I
A
S
F
L
A
R
S
L
G
H
Y
E
G
R
D
N
G
E
I
A
R
L
E
A
V
V
S
L
C
Y
T
E
V
S
L
Q
I
A
Q
L
L
W
L
D
L
F
N
P
G
V
D
L
A
A
A
V
P
L
Q
F
G
R
L
V
A
R
L
T
R
L
E
A
H
T
P
E
A
G
W
F
G
G
E
R
P
V
M
A
D
Y
F
A
A
E
A
I
E
A
L
R
Y
L
L
G
R
E
H
D
D
A
L
R
T
R
L
P
H
L
C
A
L
A
R
R
M
A
Q
R
P
A
L
A
Q
A
W
S
T
R
P
Q
T
F
T
A
H
P
D
E
A
A
M
L
E
R
L
R
A
L
P
L
---------
63
41.57
100%
-31
- C- -
M063
-
A:
[2-245]
M
N
E
P
I
I
L
R
Y
F
P
V
L
G
R
A
Q
A
L
R
H
A
L
A
D
A
E
L
A
F
R
D
L
R
I
P
L
E
Q
W
S
Q
H
K
D
S
D
A
G
G
P
Y
G
S
L
P
T
L
R
W
H
G
V
E
V
A
E
T
I
A
I
A
S
F
L
A
R
S
L
G
H
Y
E
G
R
D
N
G
E
I
A
R
L
E
A
V
V
S
L
C
Y
T
E
V
S
L
Q
I
A
Q
L
L
W
L
D
L
F
N
P
G
V
D
L
A
A
A
V
P
L
Q
F
G
R
L
V
A
R
L
T
R
L
E
A
H
T
P
E
A
G
W
F
G
G
E
R
P
V
M
A
D
Y
F
A
A
E
A
I
E
A
L
R
Y
L
L
G
R
E
H
D
D
A
L
R
T
R
L
P
H
L
C
A
L
A
R
R
M
A
Q
R
P
A
L
A
Q
A
W
S
T
R
P
Q
T
F
T
A
H
P
D
E
A
A
M
L
E
R
L
R
A
L
P
----------
64
37.54
100%
-30
- C- -
M064
-
A:
[2-249]
M
N
E
P
I
I
L
R
Y
F
P
V
L
G
R
A
Q
A
L
R
H
A
L
A
D
A
E
L
A
F
R
D
L
R
I
P
L
E
Q
W
S
Q
H
K
D
S
D
A
G
G
P
Y
G
S
L
P
T
L
R
W
H
G
V
E
V
A
E
T
I
A
I
A
S
F
L
A
R
S
L
G
H
Y
E
G
R
D
N
G
E
I
A
R
L
E
A
V
V
S
L
C
Y
T
E
V
S
L
Q
I
A
Q
L
L
W
L
D
L
F
N
P
G
V
D
L
A
A
A
V
P
L
Q
F
G
R
L
V
A
R
L
T
R
L
E
A
H
T
P
E
A
G
W
F
G
G
E
R
P
V
M
A
D
Y
F
A
A
E
A
I
E
A
L
R
Y
L
L
G
R
E
H
D
D
A
L
R
T
R
L
P
H
L
C
A
L
A
R
R
M
A
Q
R
P
A
L
A
Q
A
W
S
T
R
P
Q
T
F
T
A
H
P
D
E
A
A
M
L
E
R
L
R
A
L
P
----------