@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 : T0841: (2014-07-02 )
FEKCGKRVDRLDQRRSKLRVVGGHPGNSPWTVSLRNRQGQHFCGGSLVKEQWILTARQCFSSCHMPLTGYEVWLGTLFQNPQHGEPSLQRVPVAKMVCGPSGSQLVLLKLERSVTLNQRVALICLPPEWYVVPPGTKCEIAGWGETKGTGNDTVLNVALLNVISNQECNIKHRGRVRESEMCTEGLLAPVGACEGDYGGPLACFTHNSWVLEGIIIPNRVCARSRWPAVFTRVSVFVDWIHKVMRLGHHHHHH
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.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---F
E
K
C
G
K
R
V
D
R
L
D
Q
R
R
S
K
L
R
V
VGG---H--P---G--NS
P
W
T
V
S
LRNRQGQHFCGG
S
L
V
K
E
Q
W
I
L
T
A
R
Q
C
F
S
SCHMPL
T
G
Y
E
V
W
L
G
T
L
FQNPQHGEP
S
L
Q
RVPVA
K
M
V
CGPSG
S
Q
L
V
L
L
K
L
ERSVTLNQ
R
V
A
L
I
C
LPP
E
W
Y
VVPPG
T
K
C
E
I
A
GWGETKGTGN
D
T
V
L
N
V
A
L
L
N
V
ISNQEC
N
I
--
K
--H--RG--RV--R
E
S
E
M
C
TEGLLAPVGACEGDYGG
P
L
A
C
F
THN
S
W
V
L
E
G
I
IIPN
R
V
CARSR
W
P
A
V
F
T
R
V
S
V
F
V
D
W
I
H
K
V
M
R
LGHHHHHH
41
HHSearch
98.59
100%
-138
- C2 -
2ASU
-
?
B:
[1-225]
----------------------
V
V
G
G
---
H
--
P
---
G
--
N
S
P
W
T
V
S
L
R
N
R
Q
G
Q
H
F
C
G
G
S
L
V
K
E
Q
W
I
L
T
A
R
Q
C
F
S
S
C
H
M
P
L
T
G
Y
E
V
W
L
G
T
L
F
Q
N
P
Q
H
G
E
P
S
L
Q
R
V
P
V
A
K
M
V
C
G
P
S
G
S
Q
L
V
L
L
K
L
E
R
S
V
T
L
N
Q
R
V
A
L
I
C
L
P
P
E
W
Y
V
V
P
P
G
T
K
C
E
I
A
G
W
G
E
T
K
G
T
G
N
D
T
V
L
N
V
A
L
L
N
V
I
S
N
Q
E
C
N
I
--
K
--
H
--
R
G
--
R
V
--
R
E
S
E
M
C
T
E
G
L
L
A
P
V
G
A
C
E
G
D
Y
G
G
P
L
A
C
F
T
H
N
S
W
V
L
E
G
I
I
I
P
N
R
V
C
A
R
S
R
W
P
A
V
F
T
R
V
S
V
F
V
D
W
I
H
K
V
M
---------
1
PsiBlast_PDB
98.59
100%
-138
- C2 -
2ASU
-
?
B:
[1-225]
----------------------
V
V
G
G
---
H
--
P
---
G
--
N
S
P
W
T
V
S
L
R
N
R
Q
G
Q
H
F
C
G
G
S
L
V
K
E
Q
W
I
L
T
A
R
Q
C
F
S
S
C
H
M
P
L
T
G
Y
E
V
W
L
G
T
L
F
Q
N
P
Q
H
G
E
P
S
L
Q
R
V
P
V
A
K
M
V
C
G
P
S
G
S
Q
L
V
L
L
K
L
E
R
S
V
T
L
N
Q
R
V
A
L
I
C
L
P
P
E
W
Y
V
V
P
P
G
T
K
C
E
I
A
G
W
G
E
T
K
G
T
G
N
D
T
V
L
N
V
A
L
L
N
V
I
S
N
Q
E
C
N
I
--
K
--
H
--
R
G
--
R
V
--
R
E
S
E
M
C
T
E
G
L
L
A
P
V
G
A
C
E
G
D
Y
G
G
P
L
A
C
F
T
H
N
S
W
V
L
E
G
I
I
I
P
N
R
V
C
A
R
S
R
W
P
A
V
F
T
R
V
S
V
F
V
D
W
I
H
K
V
M
---------
42
HHSearch
78.53
42%
-110
- C2 -
4DUR
-
PLMN_HUMAN
A:
[547-789]
-----
D
C
G
K
P
--
Q
V
E
P
K
K
C
P
G
R
V
V
G
G
C
V
A
H
--
P
---
H
--
S
W
P
W
Q
V
S
L
R
T
R
F
G
M
H
F
C
G
G
T
L
I
S
P
E
W
V
L
T
A
A
H
C
L
E
K
S
P
R
-
P
S
S
Y
K
V
I
L
G
A
H
--
Q
E
V
N
L
E
P
H
V
Q
E
I
E
V
S
R
L
F
L
E
P
T
R
K
D
I
A
L
L
K
L
S
S
P
A
V
I
T
D
K
V
I
P
A
C
L
P
S
P
N
Y
V
V
A
D
R
T
E
C
F
I
T
G
W
G
E
T
---
F
G
A
G
L
L
K
E
A
Q
L
P
V
I
E
N
K
V
C
N
R
YE
F
--
L
--
N
G
--
R
V
--
Q
S
T
E
L
C
A
G
H
L
A
G
G
T
D
S
C
Q
G
D
S
G
G
P
L
V
C
F
E
K
D
K
Y
I
L
Q
G
V
T
S
W
G
L
G
C
A
R
P
N
K
P
G
V
Y
V
R
V
S
R
F
V
T
W
I
E
G
V
M
R
--------
5
PsiBlast_PDB
78.49
40%
-110
- C2 -
3UIR
-
PLMN_HUMAN
A:
[3-245]
-----
D
C
G
K
--
P
Q
V
E
P
K
K
C
P
--
V
V
G
G
C
V
A
H
--
P
---
H
--
S
W
P
W
Q
V
S
L
R
T
R
F
G
M
H
F
C
G
G
T
L
I
S
P
E
W
V
L
T
A
A
H
C
L
E
K
S
P
R
P
-
S
S
Y
K
V
I
L
G
A
--
H
Q
E
V
N
L
E
P
H
V
Q
E
I
E
V
S
R
L
F
L
E
P
T
R
K
D
I
A
L
L
K
L
S
S
P
A
V
I
T
D
K
V
I
P
A
C
L
P
S
P
N
Y
V
V
A
D
R
T
E
C
F
I
T
G
W
G
E
T
Q
G
T
F
G
A
G
L
L
K
E
A
Q
L
P
V
I
E
N
K
V
C
N
R
--
Y
--
E
FL
N
G
--
R
V
--
Q
S
T
E
L
C
A
G
H
L
A
G
G
T
D
S
C
Q
G
D
S
G
G
P
L
V
C
F
E
K
D
K
Y
I
L
Q
G
V
T
S
W
G
L
G
C
A
R
P
N
K
P
G
V
Y
V
R
V
S
R
F
V
T
W
I
E
G
V
M
R
--------
3
PsiBlast_PDB
77.69
44%
-127
- C2 -
1SHY
-
HGF_HUMAN
A:
[495-720]
----------------------
V
V
N
G
---
I
--
P
---
T
RT
N
I
G
W
M
V
S
L
R
Y
R
N
-
K
H
I
C
G
G
S
L
I
K
E
S
W
V
L
T
A
R
Q
C
F
P
S
--
R
D
L
K
D
Y
E
A
W
L
G
I
H
D
V
H
G
R
G
D
E
K
C
K
Q
V
L
N
V
S
Q
L
V
Y
G
P
E
G
S
D
L
V
L
M
K
L
A
R
P
A
V
L
D
D
F
V
S
T
I
D
L
P
N
Y
G
S
T
I
P
E
K
T
S
C
S
V
Y
G
W
G
Y
T
G
L
I
N
Y
D
G
L
L
R
V
A
H
L
Y
I
M
G
N
E
K
C
S
Q
--
H
--
H
--
R
G
--
K
V
T
L
N
E
S
E
I
C
A
G
A
E
K
I
G
S
G
P
C
E
G
D
Y
G
G
P
L
V
C
E
Q
H
K
M
R
M
V
L
G
V
I
V
P
G
R
G
C
A
I
P
N
R
P
G
I
F
V
R
V
A
Y
Y
A
K
W
I
H
K
I
I
---------
12
PsiBlast_PDB
76.97
40%
-107
- C2 -
4DUR
-
PLMN_HUMAN
A:
[548-789]
------
C
G
K
--
P
Q
V
E
P
K
K
C
P
G
R
V
V
G
G
C
V
A
H
--
P
---
H
--
S
W
P
W
Q
V
S
L
R
T
R
F
G
M
H
F
C
G
G
T
L
I
S
P
E
W
V
L
T
A
A
H
C
L
E
K
S
P
R
P
-
S
S
Y
K
V
I
L
G
A
--
H
Q
E
V
N
L
E
P
H
V
Q
E
I
E
V
S
R
L
F
L
E
P
T
R
K
D
I
A
L
L
K
L
S
S
P
A
V
I
T
D
K
V
I
P
A
C
L
P
S
P
N
Y
V
V
A
D
R
T
E
C
F
I
T
G
W
G
E
T
---
F
G
A
G
L
L
K
E
A
Q
L
P
V
I
E
N
K
V
C
N
R
--
Y
--
E
FL
N
G
--
R
V
--
Q
S
T
E
L
C
A
G
H
L
A
G
G
T
D
S
C
Q
G
D
S
G
G
P
L
V
C
F
E
K
D
K
Y
I
L
Q
G
V
T
S
W
G
L
G
C
A
R
P
N
K
P
G
V
Y
V
R
V
S
R
F
V
T
W
I
E
G
V
M
R
--------
32
SP3
76.59
39%
-125
- C2 -
1SHY
-
HGF_HUMAN
A:
[495-722]
----------------------
V
V
N
G
---
I
--
P
TR-
T
--
N
I
G
W
M
V
S
L
R
Y
-
R
N
K
H
I
C
G
G
S
L
I
K
E
S
W
V
L
T
A
R
Q
C
F
P
S
R
--
D
L
K
D
Y
E
A
W
L
G
I
H
D
V
H
G
R
G
D
E
K
C
K
Q
V
L
N
V
S
Q
L
V
Y
G
P
E
G
S
D
L
V
L
M
K
L
A
R
P
A
V
L
D
D
F
V
S
T
I
D
L
P
N
Y
G
S
T
I
P
E
K
T
S
C
S
V
Y
G
W
G
Y
T
G
L
I
N
Y
D
G
L
L
R
V
A
H
L
Y
I
M
G
N
E
K
C
S
Q
--
H
--
H
--
R
G
K
V
T
L
--
N
E
S
E
I
C
A
G
A
E
K
I
G
S
G
P
C
E
G
D
Y
G
G
P
L
V
C
E
Q
H
K
M
R
M
V
L
G
V
I
V
P
G
R
G
C
A
I
P
N
R
P
G
I
F
V
R
V
A
Y
Y
A
K
W
I
H
K
I
I
L
T
-------
30
SP3
76.24
38%
-105
- C2 -
1L4D
-
A:
[1-249]
A
P
S
F
D
-
C
G
K
P
Q
V
E
P
--
K
K
C
P
G
R
V
V
G
G
---
C
--
V
A
HP
H
--
S
W
P
W
Q
V
S
L
R
T
R
F
G
M
H
F
C
G
G
T
L
I
S
P
E
W
V
L
T
A
A
H
C
L
E
K
S
P
-
R
P
S
S
Y
K
V
I
L
G
A
--
H
Q
E
V
N
L
E
P
H
V
Q
E
I
E
V
S
R
L
F
L
E
P
T
R
K
D
I
A
L
L
K
L
S
S
P
A
V
I
T
D
K
V
I
P
A
C
L
P
S
P
N
Y
V
V
A
D
R
T
E
C
F
I
T
G
W
G
E
T
Q
G
T
F
G
A
G
L
L
K
E
A
Q
L
P
V
I
E
N
K
V
C
N
R
--
Y
EF
L
--
N
G
--
R
V
--
Q
S
T
E
L
C
A
G
H
L
A
G
G
T
D
S
C
Q
G
D
A
G
G
P
L
V
C
F
E
K
D
K
Y
I
L
Q
G
V
T
S
W
G
L
G
C
A
R
P
N
K
P
G
V
Y
V
R
V
S
R
F
V
T
W
I
E
G
V
M
R
N
N
------
44
HHSearch
76.22
44%
-123
- C2 -
1SI5
-
HGF_HUMAN
H:
[495-724]
----------------------
V
V
N
G
---
I
PT
R
---
T
--
N
I
G
W
M
V
S
L
R
Y
R
-
N
K
H
I
C
G
G
S
L
I
K
E
S
W
V
L
T
A
R
Q
C
F
P
S
R
--
D
L
K
D
Y
E
A
W
L
G
I
H
D
V
H
G
R
G
D
E
K
C
K
Q
V
L
N
V
S
Q
L
V
Y
G
P
E
G
S
D
L
V
L
M
K
L
A
R
P
A
V
L
D
D
F
V
S
T
I
D
L
P
N
Y
G
S
T
I
P
E
K
T
S
C
S
V
Y
G
W
G
Y
T
G
L
I
N
Y
D
G
L
L
R
V
A
H
L
Y
I
M
G
N
E
K
C
S
Q
--------------L-
N
E
S
E
I
C
A
G
A
E
K
I
G
S
G
P
C
E
G
D
Y
G
G
P
L
V
C
E
Q
H
K
M
R
M
V
L
G
V
I
V
P
G
R
G
C
A
I
P
N
R
P
G
I
F
V
R
V
A
Y
Y
A
K
W
I
H
K
I
I
L
T
Y
K
-----
2
PsiBlast_PDB
75.78
44%
-124
- C2 -
1SI5
-
HGF_HUMAN
H:
[495-720]
----------------------
V
V
N
G
---
I
--
P
---
T
RT
N
I
G
W
M
V
S
L
R
Y
R
N
-
K
H
I
C
G
G
S
L
I
K
E
S
W
V
L
T
A
R
Q
C
F
P
S
--
R
D
L
K
D
Y
E
A
W
L
G
I
H
D
V
H
G
R
G
D
E
K
C
K
Q
V
L
N
V
S
Q
L
V
Y
G
P
E
G
S
D
L
V
L
M
K
L
A
R
P
A
V
L
D
D
F
V
S
T
I
D
L
P
N
Y
G
S
T
I
P
E
K
T
S
C
S
V
Y
G
W
G
Y
T
G
L
I
N
Y
D
G
L
L
R
V
A
H
L
Y
I
M
G
N
E
K
C
S
Q
--------------L-
N
E
S
E
I
C
A
G
A
E
K
I
G
S
G
P
C
E
G
D
Y
G
G
P
L
V
C
E
Q
H
K
M
R
M
V
L
G
V
I
V
P
G
R
G
C
A
I
P
N
R
P
G
I
F
V
R
V
A
Y
Y
A
K
W
I
H
K
I
I
---------
14
PsiBlast_PDB
75.18
40%
-115
- C2 -
4A5T
-
PLMN_HUMAN
S:
[548-789]
------
C
G
K
--
P
Q
V
E
P
K
K
C
P
G
R
V
V
G
G
CVA
H
--
P
---
H
--
S
W
P
W
Q
V
S
L
R
T
R
F
G
M
H
F
C
G
G
T
L
I
S
P
E
W
V
L
T
A
A
H
C
L
E
K
S
P
R
P
-
S
S
Y
K
V
I
L
G
A
--
H
Q
E
V
N
L
E
P
H
V
Q
E
I
E
V
S
R
L
F
L
E
P
T
R
K
D
I
A
L
L
K
L
S
S
P
A
V
I
T
D
K
V
I
P
A
C
L
P
S
P
N
Y
V
V
A
D
R
T
E
C
F
I
T
G
W
G
E
T
Q
G
T
F
G
A
G
L
L
K
E
A
Q
L
P
V
I
E
N
K
V
C
N
R
--
Y
--
E
FL
N
G
--
R
V
--
Q
S
T
E
L
C
A
G
H
L
A
G
G
T
D
S
C
Q
G
D
S
G
G
P
L
V
C
F
E
K
D
K
Y
I
L
Q
G
V
T
S
W
G
L
G
C
A
R
P
N
K
P
G
V
Y
V
R
V
S
R
F
V
T
W
I
E
G
V
M
R
--------
10
PsiBlast_PDB
75.05
39%
-109
- C2 -
1QRZ
-
PLMN_HUMAN
A:
[547-789]
-----
D
C
G
K
--
P
Q
V
E
P
K
K
C
P
G
R
V
V
G
G
CVA
H
--
P
---
H
--
S
W
P
W
Q
V
S
L
R
T
R
F
G
Q
H
F
C
G
G
T
L
I
S
P
E
W
V
L
T
A
A
H
C
L
E
K
S
P
R
P
-
S
S
Y
K
V
I
L
G
A
--
H
Q
E
V
N
L
E
P
H
V
Q
E
I
E
V
S
R
L
F
L
E
P
T
R
K
D
I
A
L
L
K
L
S
S
P
A
V
I
T
D
K
V
I
P
A
C
L
P
S
P
N
Y
M
V
A
D
R
T
E
C
F
I
T
G
W
G
E
T
Q
G
T
F
G
A
G
L
L
K
E
A
Q
L
P
V
I
E
N
K
V
C
N
R
--
Y
--
E
FL
N
G
--
R
V
--
Q
S
T
E
L
C
A
G
H
L
A
G
G
T
D
S
C
Q
G
D
S
G
G
P
L
V
C
F
E
K
D
K
Y
I
L
Q
G
V
T
S
W
G
L
G
C
A
R
P
N
K
P
G
V
Y
V
R
V
S
R
F
V
T
W
I
E
G
V
L
R
--------
40
HHSearch
75.03
42%
-103
- C2 -
1DDJ
-
PLMN_HUMAN
A:
[547-789]
-----
D
C
G
K
--
P
Q
V
E
P
K
K
C
P
G
R
V
V
G
G
CVA
H
--
P
---
H
--
S
W
P
W
Q
V
S
L
R
T
R
F
G
M
H
F
C
G
G
T
L
I
S
P
E
W
V
L
T
A
A
H
C
L
E
K
S
P
R
-
P
S
S
Y
K
V
I
L
G
A
--
H
Q
E
V
N
L
E
P
H
V
Q
E
I
E
V
S
R
L
F
L
E
P
T
R
K
D
I
A
L
L
K
L
S
S
P
A
V
I
T
D
K
V
I
P
A
C
L
P
S
P
N
Y
V
V
A
D
R
T
E
C
F
I
T
G
W
G
E
T
Q
G
T
F
G
A
G
L
L
K
E
A
Q
L
P
V
I
E
N
K
V
C
N
R
YE
F
--
L
--
N
G
--
R
V
--
Q
S
T
E
L
C
A
G
H
L
A
G
G
T
D
S
C
Q
G
D
A
G
G
P
L
V
C
F
E
K
D
K
Y
I
L
Q
G
V
T
S
W
G
L
G
C
A
R
P
N
K
P
G
V
Y
V
R
V
S
R
F
V
T
W
I
E
G
V
M
R
--------
4
PsiBlast_PDB
74.56
40%
-103
- C2 -
1DDJ
-
PLMN_HUMAN
A:
[547-789]
-----
D
C
G
K
--
P
Q
V
E
P
K
K
C
P
G
R
V
V
G
G
CVA
H
--
P
---
H
--
S
W
P
W
Q
V
S
L
R
T
R
F
G
M
H
F
C
G
G
T
L
I
S
P
E
W
V
L
T
A
A
H
C
L
E
K
S
P
R
P
-
S
S
Y
K
V
I
L
G
A
--
H
Q
E
V
N
L
E
P
H
V
Q
E
I
E
V
S
R
L
F
L
E
P
T
R
K
D
I
A
L
L
K
L
S
S
P
A
V
I
T
D
K
V
I
P
A
C
L
P
S
P
N
Y
V
V
A
D
R
T
E
C
F
I
T
G
W
G
E
T
Q
G
T
F
G
A
G
L
L
K
E
A
Q
L
P
V
I
E
N
K
V
C
N
R
--
Y
--
E
FL
N
G
--
R
V
--
Q
S
T
E
L
C
A
G
H
L
A
G
G
T
D
S
C
Q
G
D
A
G
G
P
L
V
C
F
E
K
D
K
Y
I
L
Q
G
V
T
S
W
G
L
G
C
A
R
P
N
K
P
G
V
Y
V
R
V
S
R
F
V
T
W
I
E
G
V
M
R
--------
13
PsiBlast_PDB
74.46
40%
-98
- C2 -
4DUU
-
PLMN_HUMAN
A:
[548-789]
------
C
G
K
--
P
Q
V
E
P
K
K
C
P
G
R
V
V
G
G
C
V
A
H
--
P
---
H
--
S
W
P
W
Q
V
S
L
R
T
R
F
G
M
H
F
C
G
G
T
L
I
S
P
E
W
V
L
T
A
A
H
C
L
E
K
S
P
R
P
-
S
S
Y
K
V
I
L
G
A
--
H
Q
E
V
N
L
E
P
H
V
Q
E
I
E
V
S
R
L
F
L
E
P
T
R
K
D
I
A
L
L
K
L
S
S
P
A
V
I
T
D
K
V
I
P
A
C
L
P
S
P
N
Y
V
V
A
D
R
T
E
C
F
I
T
G
W
G
E
T
Q
G
T
F
G
A
G
L
L
K
E
A
Q
L
P
V
I
E
N
K
V
C
N
R
--
Y
--
E
FL
N
G
--
R
V
--
Q
S
T
E
L
C
A
G
H
L
A
G
G
T
D
S
C
Q
G
D
S
G
G
P
L
V
C
F
E
K
D
K
Y
I
L
Q
G
V
T
S
W
G
L
G
C
A
R
P
N
K
P
G
V
Y
V
R
V
S
R
F
V
T
W
I
E
G
V
M
R
--------
7
PsiBlast_PDB
74.46
40%
-103
- C2 -
1L4D
-
A:
[5-247]
-----
D
C
G
K
--
P
Q
V
E
P
K
K
C
P
G
R
V
V
G
G
C
V
A
H
--
P
---
H
--
S
W
P
W
Q
V
S
L
R
T
R
F
G
M
H
F
C
G
G
T
L
I
S
P
E
W
V
L
T
A
A
H
C
L
E
K
S
P
R
P
-
S
S
Y
K
V
I
L
G
A
--
H
Q
E
V
N
L
E
P
H
V
Q
E
I
E
V
S
R
L
F
L
E
P
T
R
K
D
I
A
L
L
K
L
S
S
P
A
V
I
T
D
K
V
I
P
A
C
L
P
S
P
N
Y
V
V
A
D
R
T
E
C
F
I
T
G
W
G
E
T
Q
G
T
F
G
A
G
L
L
K
E
A
Q
L
P
V
I
E
N
K
V
C
N
R
--
Y
--
E
FL
N
G
--
R
V
--
Q
S
T
E
L
C
A
G
H
L
A
G
G
T
D
S
C
Q
G
D
A
G
G
P
L
V
C
F
E
K
D
K
Y
I
L
Q
G
V
T
S
W
G
L
G
C
A
R
P
N
K
P
G
V
Y
V
R
V
S
R
F
V
T
W
I
E
G
V
M
R
--------
8
PsiBlast_PDB
74.41
40%
-104
- C2 -
1BUI
-
PLMN_HUMAN
A:
[6-248]
-----
D
C
G
K
--
P
Q
V
E
P
K
K
C
P
G
-
V
V
G
G
C
V
A
H
--
P
---
H
--
S
W
P
W
Q
V
S
L
R
T
R
F
G
M
H
F
C
G
G
T
L
I
S
P
E
W
V
L
T
A
A
H
C
L
E
K
S
P
R
P
-
S
S
Y
K
V
I
L
G
A
--
H
Q
E
V
N
L
E
P
H
V
Q
E
I
E
V
S
R
L
F
L
E
P
T
R
K
D
I
A
L
L
K
L
S
S
P
A
V
I
T
D
K
V
I
P
A
C
L
P
S
P
N
Y
V
V
A
D
R
T
E
C
F
I
T
G
W
G
E
T
Q
G
T
F
G
A
G
L
L
K
E
A
Q
L
P
V
I
E
N
K
V
C
N
R
--
Y
--
E
FL
N
G
--
R
V
--
Q
S
T
E
L
C
A
G
H
L
A
G
G
T
D
S
C
Q
G
D
S
G
G
P
L
V
C
F
E
K
D
K
Y
I
L
Q
G
V
T
S
W
G
L
G
C
A
R
P
N
K
P
G
V
Y
V
R
V
S
R
F
V
T
W
I
E
G
V
M
R
--------
6
PsiBlast_PDB
74.40
40%
-108
- C2 -
1BML
-
PLMN_HUMAN
A:
[547-789]
-----
D
C
G
K
--
P
Q
V
E
P
K
K
C
P
G
R
V
V
G
G
C
V
A
H
--
P
---
H
--
S
W
P
W
Q
V
S
L
R
T
R
F
G
M
H
F
C
G
G
T
L
I
S
P
E
W
V
L
T
A
A
H
C
L
E
K
S
P
R
P
-
S
S
Y
K
V
I
L
G
A
--
H
Q
E
V
N
L
E
P
H
V
Q
E
I
E
V
S
R
L
F
L
E
P
T
R
K
D
I
A
L
L
K
L
S
S
P
A
V
I
T
D
K
V
I
P
A
C
L
P
S
P
N
Y
V
V
A
D
R
T
E
C
F
I
T
G
W
G
E
T
Q
G
T
F
G
A
G
L
L
K
E
A
Q
L
P
V
I
E
N
K
V
C
N
R
--
Y
--
E
FL
N
G
--
R
V
--
Q
S
T
E
L
C
A
G
H
L
A
G
G
T
D
S
C
Q
G
D
A
G
G
P
L
V
C
F
E
K
D
K
Y
I
L
Q
G
V
T
S
W
G
L
G
C
A
R
P
N
K
P
G
V
Y
V
R
V
S
R
F
V
T
W
I
E
G
V
M
R
--------
9
PsiBlast_PDB
74.02
40%
-106
- C2 -
1L4Z
-
A:
[4-246]
-----
D
C
G
K
--
P
Q
V
E
P
K
K
C
P
G
R
V
V
G
G
CVA
H
--
P
---
H
--
S
W
P
W
Q
V
S
L
R
T
R
F
G
M
H
F
C
G
G
T
L
I
S
P
E
W
V
L
T
A
A
H
C
L
E
K
S
P
R
P
-
S
S
Y
K
V
I
L
G
A
--
H
Q
E
V
N
L
E
P
H
V
Q
E
I
E
V
S
R
L
F
L
E
P
T
R
K
D
I
A
L
L
K
L
S
S
P
A
V
I
T
D
K
V
I
P
A
C
L
P
S
P
N
Y
V
V
A
D
R
T
E
C
F
I
T
G
W
G
E
T
Q
G
T
F
G
A
G
L
L
K
E
A
Q
L
P
V
I
E
N
K
V
C
N
R
--
Y
--
E
FL
N
G
--
R
V
--
Q
S
T
E
L
C
A
G
H
L
A
G
G
T
D
S
C
Q
G
D
A
G
G
P
L
V
C
F
E
K
D
K
Y
I
L
Q
G
V
T
S
W
G
L
G
C
A
R
P
N
K
P
G
V
Y
V
R
V
S
R
F
V
T
W
I
E
G
V
M
R
--------
11
PsiBlast_PDB
73.73
43%
-119
- C2 -
4K3J
-
A:
[1-221]
----------------------
V
V
N
G
---
I
--
P
---
T
RT
N
I
G
W
M
V
S
L
R
Y
R
N
-
K
H
I
C
G
G
S
L
I
K
E
S
W
V
L
T
A
R
Q
C
F
P
S
--
R
D
L
K
D
Y
E
A
W
L
G
I
H
D
V
H
G
R
G
D
E
K
C
K
Q
V
L
N
V
S
Q
L
V
Y
G
P
E
G
S
D
L
V
L
M
K
L
A
R
P
A
V
L
D
D
F
V
S
T
I
D
L
P
N
Y
G
S
T
I
P
E
K
T
S
C
S
V
Y
G
W
G
Y
T
G
L
I
N
Y
D
G
L
L
R
V
A
H
L
Y
I
M
G
N
E
K
C
S
Q
--
H
--
H
--
R
G
--
K
V
T
L
N
E
S
E
I
C
A
G
A
E
K
I
G
S
G
P
C
E
G
D
Y
G
G
P
L
V
C
E
Q
H
K
M
R
M
V
L
G
V
I
V
P
G
R
G
C
A
I
P
N
R
P
G
I
F
V
R
V
A
Y
Y
A
K
W
--------------
User Run . : Multi Template Modeling Result:
(5 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.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
F
E
K
C
G
K
R
V
D
R
L
D
Q
R
R
S
K
L
R
V
VGGHPGNS
P
W
T
V
S
LRNRQGQHFCGG
S
L
V
K
E
Q
W
I
L
T
A
R
Q
C
F
S
SCHMPL
T
G
Y
E
V
W
L
G
T
L
FQNPQHGEP
S
L
Q
RVPVA
K
M
V
CGPSG
S
Q
L
V
L
L
K
L
ERSVTLNQ
R
V
A
L
I
C
LPP
E
W
Y
VVPPG
T
K
C
E
I
A
GWGETKGTGN
D
T
V
L
N
V
A
L
L
N
V
ISNQEC
N
I
K
HRGRVR
E
S
E
M
C
TEGLLAPVGACEGDYGG
P
L
A
C
F
THN
S
W
V
L
E
G
I
IIPN
R
V
CARSR
W
P
A
V
F
T
R
V
S
V
F
V
D
W
I
H
K
V
M
R
LGHHHHHH
89
40.00
100%
-
- C- -
M089
-
A:
[1-266]
F
E
K
C
G
K
R
V
D
R
L
D
Q
R
R
S
K
L
R
V
V
G
G
H
P
G
N
S
P
W
T
V
S
L
R
N
R
Q
G
Q
H
F
C
G
G
S
L
V
K
E
Q
W
I
L
T
A
R
Q
C
F
S
S
C
H
M
P
L
T
G
Y
E
V
W
L
G
T
L
F
Q
N
P
Q
H
G
E
P
S
L
Q
R
V
P
V
A
K
M
V
C
G
P
S
G
S
Q
L
V
L
L
K
L
E
R
S
V
T
L
N
Q
R
V
A
L
I
C
L
P
P
E
W
Y
V
V
P
P
G
T
K
C
E
I
A
G
W
G
E
T
K
G
T
G
N
D
T
V
L
N
V
A
L
L
N
V
I
S
N
Q
E
C
N
I
K
H
R
G
R
V
R
E
S
E
M
C
T
E
G
L
L
A
P
V
G
A
C
E
G
D
Y
G
G
P
L
A
C
F
T
H
N
S
W
V
L
E
G
I
I
I
P
N
R
V
C
A
R
S
R
W
P
A
V
F
T
R
V
S
V
F
V
D
W
I
H
K
V
M
R
L
G
H
H
H
H
H
H
85
38.42
100%
-21
- C- -
M085
-
A:
[3-250]
F
E
K
C
G
K
R
V
D
R
L
D
Q
R
R
S
K
L
R
V
V
G
G
H
P
G
N
S
P
W
T
V
S
L
R
N
R
Q
G
Q
H
F
C
G
G
S
L
V
K
E
Q
W
I
L
T
A
R
Q
C
F
S
S
C
H
M
P
L
T
G
Y
E
V
W
L
G
T
L
F
Q
N
P
Q
H
G
E
P
S
L
Q
R
V
P
V
A
K
M
V
C
G
P
S
G
S
Q
L
V
L
L
K
L
E
R
S
V
T
L
N
Q
R
V
A
L
I
C
L
P
P
E
W
Y
V
V
P
P
G
T
K
C
E
I
A
G
W
G
E
T
K
G
T
G
N
D
T
V
L
N
V
A
L
L
N
V
I
S
N
Q
E
C
N
I
K
H
R
G
R
V
R
E
S
E
M
C
T
E
G
L
L
A
P
V
G
A
C
E
G
D
Y
G
G
P
L
A
C
F
T
H
N
S
W
V
L
E
G
I
I
I
P
N
R
V
C
A
R
S
R
W
P
A
V
F
T
R
V
S
V
F
V
D
W
I
H
K
V
M
R
--------
68
37.63
100%
-18
- C- -
M068
-
A:
[3-252]
F
E
K
C
G
K
R
V
D
R
L
D
Q
R
R
S
K
L
R
V
V
G
G
H
P
G
N
S
P
W
T
V
S
L
R
N
R
Q
G
Q
H
F
C
G
G
S
L
V
K
E
Q
W
I
L
T
A
R
Q
C
F
S
S
C
H
M
P
L
T
G
Y
E
V
W
L
G
T
L
F
Q
N
P
Q
H
G
E
P
S
L
Q
R
V
P
V
A
K
M
V
C
G
P
S
G
S
Q
L
V
L
L
K
L
E
R
S
V
T
L
N
Q
R
V
A
L
I
C
L
P
P
E
W
Y
V
V
P
P
G
T
K
C
E
I
A
G
W
G
E
T
K
G
T
G
N
D
T
V
L
N
V
A
L
L
N
V
I
S
N
Q
E
C
N
I
K
H
R
G
R
V
R
E
S
E
M
C
T
E
G
L
L
A
P
V
G
A
C
E
G
D
Y
G
G
P
L
A
C
F
T
H
N
S
W
V
L
E
G
I
I
I
P
N
R
V
C
A
R
S
R
W
P
A
V
F
T
R
V
S
V
F
V
D
W
I
H
K
V
M
R
--------
67
37.49
100%
-21
- C- -
M067
-
A:
[3-250]
F
E
K
C
G
K
R
V
D
R
L
D
Q
R
R
S
K
L
R
V
V
G
G
H
P
G
N
S
P
W
T
V
S
L
R
N
R
Q
G
Q
H
F
C
G
G
S
L
V
K
E
Q
W
I
L
T
A
R
Q
C
F
S
S
C
H
M
P
L
T
G
Y
E
V
W
L
G
T
L
F
Q
N
P
Q
H
G
E
P
S
L
Q
R
V
P
V
A
K
M
V
C
G
P
S
G
S
Q
L
V
L
L
K
L
E
R
S
V
T
L
N
Q
R
V
A
L
I
C
L
P
P
E
W
Y
V
V
P
P
G
T
K
C
E
I
A
G
W
G
E
T
K
G
T
G
N
D
T
V
L
N
V
A
L
L
N
V
I
S
N
Q
E
C
N
I
K
H
R
G
R
V
R
E
S
E
M
C
T
E
G
L
L
A
P
V
G
A
C
E
G
D
Y
G
G
P
L
A
C
F
T
H
N
S
W
V
L
E
G
I
I
I
P
N
R
V
C
A
R
S
R
W
P
A
V
F
T
R
V
S
V
F
V
D
W
I
H
K
V
M
R
--------
80
35.33
100%
-19
- C- -
M080
-
A:
[3-250]
F
E
K
C
G
K
R
V
D
R
L
D
Q
R
R
S
K
L
R
V
V
G
G
H
P
G
N
S
P
W
T
V
S
L
R
N
R
Q
G
Q
H
F
C
G
G
S
L
V
K
E
Q
W
I
L
T
A
R
Q
C
F
S
S
C
H
M
P
L
T
G
Y
E
V
W
L
G
T
L
F
Q
N
P
Q
H
G
E
P
S
L
Q
R
V
P
V
A
K
M
V
C
G
P
S
G
S
Q
L
V
L
L
K
L
E
R
S
V
T
L
N
Q
R
V
A
L
I
C
L
P
P
E
W
Y
V
V
P
P
G
T
K
C
E
I
A
G
W
G
E
T
K
G
T
G
N
D
T
V
L
N
V
A
L
L
N
V
I
S
N
Q
E
C
N
I
K
H
R
G
R
V
R
E
S
E
M
C
T
E
G
L
L
A
P
V
G
A
C
E
G
D
Y
G
G
P
L
A
C
F
T
H
N
S
W
V
L
E
G
I
I
I
P
N
R
V
C
A
R
S
R
W
P
A
V
F
T
R
V
S
V
F
V
D
W
I
H
K
V
M
R
--------