@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 : T0805: (2014-06-04 )
MTLNLSVDEVLTTTRSVRKRLDFDKPVPRDVLMECLELALQAPTGSNSQGWQWVFVEDAAKKKAIADVYLANARGYLSGPAPEYPDGDTRGERMGRVRDSATYLAEHMHRAPVLLIPCLKGREDESAVGGVSFWASLFPAVWSFCLALRSRGLGSCWTTLHLLDNGEHKVADVLGIPYDEYSQGGLLPIAYTQGIDFRPAKRLPAESVTHWNGW
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...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------
M
T
L-NL
S
-
V
D
E
V
L
T
T
T
R
S
V
R
-
K
RLD-----F----DKPV-
P
R
D
V
L
M
E
C
L
E
L
A
LQAPTGSNSQ
G
W
Q
W
V
F
V-EDAAKKK
A
I
A
D
V
-
Y
LANA----RGYLSGPA--PEYP--D--GD--
T
R
G
E
R
MGRV
R
D
------------------
S
------------------
A
T
Y
L
A
E
--
H
M
HRA
P
V
-
L
-----------------
L
I
PCLKGR-E--------DE------------------------S----------------------------A-------------V------------------------
G
-------
G
-
V
S
F
----
W
--
A
S
L
F
P
A
V
W
S
F
C
L
A
L
R
SRG
L
G
S
C
W
T
T
L
--
H
L
LDNGE
H
K
V
A
D
V
L----GIP
Y
D
E
YSQG
G
L
L
-
P
I
A
Y---TQGI-D---FR-------PA-------KRLPAESVTHW-NGW
33
HHSearch
94.90
29%
-118
- C2 -
1NOX
1
NOX_THET8
A:
[8-205]
----------------
L
D
-
A
K
T
A
A
L
K
R
R
S
I
R
-
R
Y
R
-----------
K
D
P
V
-
P
E
G
L
L
R
E
I
L
E
A
A
L
R
A
P
S
A
W
N
L
Q
P
W
R
I
V
V
V
-
R
D
P
A
T
K
R
A
L
R
E
A
-
A
F
-----------------
G
-----------------
Q
-----------------------------------------------
A
--
H
V
E
E
A
P
V
-
V
-----------------
L
V
L
Y
A
D
L
E
-
D
--------
A
L
A
H
LDEVIHPGVQG
E
R
R
E
A
Q
K
Q
A
I
Q
R
A
F
A
A
MG
Q
---------------------
E
-------------
A
------------------------
R
-------
K
-
A
W
A
----
S
--
G
Q
S
Y
I
L
L
G
Y
L
L
L
L
L
E
A
Y
G
L
G
S
V
P
M
L
G
--
F
----
D
P
E
R
V
R
A
I
L
----
G
L
P
-
S
R
A
A
I
P
A
L
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-
A
L
G
Y
---
P
A
E
E
-----
G
Y
-------
P
S
-------
H
R
L
P
L
E
R
V
V
L
W
-
R
--
27
HHSearch
89.21
28%
-110
- C2 -
4DN2
2
?
A:
[21-206]
-------------
Q
-
S
M
E
-
T
L
E
A
I
R
T
R
R
S
V
R
-
K
F
S
-----------
D
R
P
V
-
E
P
E
K
L
R
A
V
L
D
A
A
R
L
A
P
S
W
A
N
M
Q
C
W
R
F
V
V
V
-
E
D
Q
A
T
K
V
Q
I
S
E
L
-
S
----------
Y
V
E
A
Y
F
--
G
P
K
------
G
Y
--
K
S
N
-----------------------------------------------
P
A
Q
K
--
A
L
A
E
A
P
V
-
V
-----------------
I
I
A
C
G
E
P
P
-
Q
--------
S
G
------------------------
E
----------------------------
L
-------------
R
------------------------
G
-------
Q
-
Q
Y
Y
----
L
--
T
D
V
G
I
A
A
Q
N
L
M
L
A
A
H
D
L
G
L
G
S
V
F
V
G
V
--
F
----
D
E
Q
Q
L
G
E
L
L
----
G
I
P
A
-
E
L
R
I
V
G
L
F
-
P
L
G
Y
---
P
L
E
G
-
P
---
K
A
-------
G
P
-------
S
R
K
P
L
D
E
I
V
H
Y
-
G
K
Y
1
PsiBlast_PDB
86.79
27%
-114
- C2 -
4DN2
2
?
A:
[27-206]
---------------------
E
A
I
R
T
R
R
S
V
R
-
K
F
-------
S
----
D
R
P
V
-
E
P
E
K
L
R
A
V
L
D
A
A
R
L
A
P
S
W
A
N
M
Q
C
W
R
F
V
V
V
-
E
D
Q
A
T
K
V
Q
I
S
E
L
-
S
Y
V
E
A
YFGP
K
G
Y
K
S
N
P
A
-------------------------------------------------------------------
Q
K
--
A
L
A
E
A
P
V
-
V
-----------------
I
I
A
C
G
E
P
P
-
Q
--------
S
G
------------------------
E
----------------------------
L
-------------
R
------------------------
G
-------
Q
-
Q
Y
Y
----
L
--
T
D
V
G
I
A
A
Q
N
L
M
L
A
A
H
D
L
G
L
G
S
V
F
V
G
V
--
F
----
D
E
Q
Q
L
G
E
L
L
----
G
I
P
-
A
E
L
R
I
V
G
L
F
-
P
L
G
Y
P
--
L
E
G
P
-
K
---
A
G
-------
P
S
-------
R
K
-
P
L
D
E
I
V
H
Y
-
G
K
Y
8
PsiBlast_PDB
85.01
24%
-107
- C2 -
2ISL
3
BLUB_RHIME
A:
[18-227]
----------------
F
S
-
S
D
E
R
A
A
V
Y
R
A
I
E
-
T
R
R
D
VRDEF
L
----
P
E
P
L
-
S
E
E
L
I
A
R
L
L
G
A
A
H
Q
A
P
S
V
G
F
M
Q
P
W
N
F
V
L
V
R
Q
D
E
T
R
E
K
V
W
Q
A
F
-
Q
R
A
N
----------
D
E
A
--
A
E
M
----------
F
S
G
E
R
Q
A
K
Y
R
---------------------------------------
S
L
K
L
E
--
G
I
R
K
A
P
L
S
I
-----------------
C
V
T
C
D
R
T
R
-
G
--------
G
A
------------------------
V
----------------------------
V
-------------
L
------------------------
G
-------
R
-
T
H
N
PQ
M
D
L
--
Y
S
T
V
C
A
V
Q
N
L
W
L
A
A
R
A
E
G
V
G
V
G
W
V
S
I
--
F
----
H
E
S
E
I
K
A
I
L
----
G
I
P
-
D
H
V
E
I
V
A
W
L
-
C
L
G
F
---
V
D
R
L
-
Y
---
Q
E
-------
P
E
L
A
A
K
GWR
Q
R
L
P
L
E
D
L
V
F
E
-
E
G
W
7
PsiBlast_PDB
84.81
24%
-109
- C2 -
2ISK
2
BLUB_RHIME
A:
[18-227]
----------------
F
S
-
S
D
E
R
A
A
V
Y
R
A
I
E
-
T
R
R
D
VRDEF
L
----
P
E
P
L
-
S
E
E
L
I
A
R
L
L
G
A
A
H
Q
A
P
S
V
G
F
M
Q
P
W
N
F
V
L
V
R
Q
D
E
T
R
E
K
V
W
Q
A
F
-
Q
R
A
N
----------
D
E
A
--
A
E
M
----------
F
S
G
E
R
Q
A
K
Y
R
---------------------------------------
S
L
K
L
E
--
G
I
R
K
A
P
L
S
I
-----------------
C
V
T
C
D
R
T
R
-
G
--------
G
A
------------------------
V
----------------------------
V
-------------
L
------------------------
G
-------
R
-
T
H
N
PQ
M
D
L
--
Y
S
T
V
C
A
V
Q
N
L
W
L
A
A
R
A
E
G
V
G
V
G
W
V
S
I
--
F
----
H
E
S
E
I
K
A
I
L
----
G
I
P
-
D
H
V
E
I
V
A
W
L
-
C
L
G
F
---
V
D
R
L
-
Y
---
Q
E
-------
P
E
L
A
A
K
GWR
Q
R
L
P
L
E
D
L
V
F
E
-
E
G
W
21
HHSearch
83.73
21%
-99
- C2 -
3GR3
8
?
A:
[5-229]
--------------A
P
I
D
-
I
F
Q
S
I
L
S
R
K
S
I
R
-
A
F
T
-----------
D
Q
P
V
-
T
Q
E
T
I
R
E
I
L
K
L
A
A
R
A
P
S
G
T
N
L
Q
P
W
Q
V
I
V
L
-
T
G
-
K
I
L
Q
K
V
G
Q
E
-
L
S
Q
L
V
----
L
S
G
I
K
G
E
---
R
E
Y
H
YY
P
--
R
Q
--
W
R
E
P
Y
L
S
R
R
R
K
------------------
V
G
L
D
L
Y
K
S
L
GIQKGD
Q
E
K
M
L
H
Q
K
A
K
N
F
L
F
Y
G
A
P
V
-
G
-----------------
L
L
F
T
I
D
H
D
-
M
--------
E
-------------------------------------------------------------------------------------------------------
M
G
S
----
W
--
L
D
L
G
M
F
M
Q
T
I
M
L
A
A
R
G
F
G
L
D
T
C
A
Q
A
A
--
F
A
--
D
Y
H
K
Q
I
R
S
L
L
----
S
V
P
-
S
D
R
H
I
I
C
G
M
-
A
L
G
Y
---
R
D
M
N
-
A
---
P
E
NN
F
----
E
T
-------
E
R
E
P
I
D
N
F
V
H
F
I
K
S
Y
6
PsiBlast_PDB
83.70
24%
-109
- C2 -
2ISJ
2
BLUB_RHIME
A:
[18-227]
----------------
F
S
-
S
D
E
R
A
A
V
Y
R
A
I
E
-
T
R
R
D
VRDEF
L
----
P
E
P
L
-
S
E
E
L
I
A
R
L
L
G
A
A
H
Q
A
P
S
V
G
F
M
Q
P
W
N
F
V
L
V
R
Q
D
E
T
R
E
K
V
W
Q
A
F
-
Q
R
A
N
----------
D
E
A
--
A
E
M
----------
F
S
G
E
R
Q
A
K
Y
R
---------------------------------------
S
L
K
L
E
--
G
I
R
K
A
P
L
S
I
-----------------
C
V
T
C
D
R
T
R
-
G
--------
G
A
------------------------
V
----------------------------
V
-------------
L
------------------------
G
-------
R
-
T
H
N
PQ
M
D
L
--
Y
S
T
V
C
A
V
Q
N
L
W
L
A
A
R
A
E
G
V
G
V
G
W
V
S
I
--
F
----
H
E
S
E
I
K
A
I
L
----
G
I
P
-
D
H
V
E
I
V
A
W
L
-
C
L
G
F
---
V
D
R
L
-
Y
---
Q
E
-------
P
E
L
A
A
K
GWR
Q
R
L
P
L
E
D
L
V
F
E
-
E
G
W
2
PsiBlast_PDB
82.62
28%
-124
- C2 -
4G8S
2
?
A:
[27-183]
---------------------
E
A
I
R
T
R
R
S
V
R
-
A
F
S
D
-----------
R
P
V
-
E
P
E
K
L
Q
M
V
L
E
A
A
R
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A
P
S
W
A
N
M
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C
S
R
F
V
V
V
-
Q
D
A
E
V
K
A
K
I
S
E
L
-
S
F
V
E
A
FFAP
L
G
Y
R
T
N
P
A
-------------------------------------------------------------------
Q
K
--
A
L
A
E
A
P
V
-
V
-----------------
I
V
A
C
G
V
P
G
-
E
--------
S
G
------------------------
D
----------------------------
L
-------------
R
------------------------
G
-------
Q
-
Q
Y
Y
----
M
--
T
D
V
G
I
A
T
E
N
L
M
L
A
A
H
A
V
G
L
G
S
V
F
V
G
V
--
F
----
G
E
E
Q
L
G
D
L
L
----
D
I
P
-
P
E
I
R
I
V
G
L
F
-
P
L
G
Y
---------------------------------------------
22
HHSearch
82.21
23%
-110
- C2 -
2ISK
2
BLUB_RHIME
A:
[24-227]
----------------
A
A
-
V
Y
R
A
I
E
T
R
R
D
V
R
D
E
F
L
-----------
P
E
P
L
-
S
E
E
L
I
A
R
L
L
G
A
A
H
Q
A
P
S
V
G
F
M
Q
P
W
N
F
V
L
V
-
R
Q
D
E
T
R
E
K
V
W
Q
A
-
F
Q
R
A
N
----
D
E
A
A
E
M
F
------
S
-----------
G
---
E
R
Q
A
K
------------------
Y
------------------
R
S
L
K
L
E
--
G
I
R
K
A
P
L
-
S
-----------------
I
C
V
T
C
D
R
T
-
R
--------
G
G
A-----------------------
V
----------------------------
V
-------------
L
------------------------
G
RTHN---
P
-
Q
M
D
----
L
--
Y
S
T
V
C
A
V
Q
N
L
W
L
A
A
R
A
E
G
V
G
V
G
W
V
S
I
--
F
----
H
E
S
E
I
K
A
I
L
----
G
I
P
-
D
H
V
E
I
V
A
W
L
-
C
L
G
F
---
V
D
R
L
-
Y
---
Q
E
P
E
L
A
A
K
G
W
R
-------
Q
R
L
P
L
E
D
L
V
F
E
-
E
G
W
24
HHSearch
81.10
21%
-110
- C2 -
3EO8
2
?
A:
[1-218]
---------------
G
M
E
-
L
Q
D
T
I
F
K
R
Q
S
V
R
-
K
F
K
-----------
N
Q
D
V
-
S
D
E
D
I
L
K
M
I
K
A
A
G
A
A
P
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K
N
I
Q
N
W
H
F
V
V
I
-
K
R
R
D
L
M
E
K
I
A
D
V
-
I
T
K
K
Q
----
Q
E
I
L
V
E
M
D
-----------
K
V
--
S
-
V
D
K
A
N
R
F
R
K
------------------
F
------------------
V
K
N
-
F
T
L-
F
Y
L
K
A
P
V
-
L
-----------------
V
L
V
F
T
K
V
Y
-
N
--------
P
S
------------------------
G
Y
Y
E
L
E
L
I
DA-------------------
P
-------------
K
E
T
I
D
K
L
F
-----------------
I
-------
R
-
N
P
G
----
M
--
Q
S
L
G
A
A
I
E
N
F
T
L
S
A
I
E
L
G
Y
G
S
C
W
L
T
S
--
Q
N
Y
--
A
A
D
E
I
E
A
V
L
E
A
E
T
G
F
E
K
-
G
E
Y
F
L
G
A
M
L
A
L
G
V
---
P
E
D
N
-----
L
K
-------
S
P
-------
S
K
K
P
V
E
E
I
C
T
F
-
I
--
44
Fugue
79.57
20%
-107
- C2 -
3GFD
7
IYD1_MOUSE
A:
[34-255]
SV
E
H
I
P
F
S
H
T
R
Y
P
E
-
Q
E
M
-
R
M
R
S
Q
E
F
Y
E
L
L
N
-
K
R
R
S
-----
V
RFIS
S
E
H
V
-
P
M
E
V
I
E
N
V
I
K
A
A
G
T
A
P
S
G
A
H
T
E
P
W
T
F
V
V
V
-
K
D
P
D
M
K
H
K
I
R
E
I
-
I
E
E
E
E
----
E
I
N
Y
M
K
R
M
-----------
G
K
--
R
W
V
T
D
L
K
K
L
R
T
------------------
N
------------------
W
I
K
--
E
--
Y
L
D
T
A
P
V
-
L
-----------------
I
L
I
F
K
Q
V
H
-
G
--------
F
N
G-----------------------
K
----------------------------
K
-------------
K
------------------------
V
-------
H
-
Y
Y
N
----
E
--
I
S
V
S
I
A
C
G
L
L
L
A
A
L
Q
N
A
G
L
V
T
V
T
T
T
P
--
L
---
N
C
G
P
R
L
R
V
L
L
----
G
R
P
-
S
H
E
K
L
L
V
L
L
-
P
V
G
Y
---
P
S
R
D
-
A
---
T
V
-------
P
D
L------
K
R
K
A
L
D
Q
I
M
V
T
-
V
H
H
31
HHSearch
78.73
20%
-133
- C2 -
3G14
-
?
A:
[2-178]
----------------
M
E
-
F
Y
E
V
I
K
K
R
K
S
I
K
-
K
F
E
-----------
Q
T
A
I
-
D
R
D
K
L
L
K
I
I
D
M
A
M
R
A
P
S
W
K
N
K
T
P
Y
K
F
I
V
V
-
E
S
D
K
L
K
L
D
I
A
N
A
-
I
E
N
K
-------------------------
T
--
S
-------------------------------------------------
A
A
S
E
--
A
V
L
N
S
P
M
-
T
-----------------
I
V
A
V
A
N
P
E
-
E
--------
S
G
------------------------
D
----------------------------
V
-------------
S
------------------------
G
-------
K
-
E
I
Y
----
L
--
I
D
T
A
I
A
M
E
H
I
V
L
G
A
T
D
E
G
Y
G
T
C
W
I
A
A
--
F
----
N
E
N
K
I
K
E
A
L
----
K
I
P
D
-
N
L
R
V
V
A
L
T
-
P
L
G
V
PKD----------------------------
K
K
D
M
D
E
Y
L
Y
I
-
D
K
W
40
HHSearch
78.66
21%
-111
- C2 -
3M5K
4
?
A:
[5-172]
---------------
E
N
Q
-
T
L
E
T
I
L
N
R
K
S
V
R
-
K
Y
K
-----------
D
R
P
V
-
E
K
E
K
I
D
K
L
I
R
A
G
M
A
A
P
S
S
R
D
R
R
P
W
E
F
I
I
V
-
T
D
R
K
A
L
D
T
M
A
E
G
-
L
P
-----------------
F
----------------------------------------------------------------
A
R
--
M
L
K
E
T
R
Q
-
A
-----------------
I
V
V
C
G
D
T
I
-
K
--------
S
S
-------------------------------------------------------------------
N
-----------------------------------
A
W
----
F
--
L
D
C
S
A
A
S
Q
N
L
L
L
A
A
E
S
M
G
L
G
A
V
W
T
A
V
--
Y
P
Y
P
D
R
I
E
I
V
R
K
E
L
----
R
L
P
D
-
H
I
M
P
L
N
V
I
-
P
V
G
Y
---
P
M
Q
--
K
---
E
T
-------
P
K
-------
N
K
Y
N
V
Q
Q
-
I
H
H
-
N
G
W
25
HHSearch
78.54
24%
-112
- C2 -
2I7H
2
?
A:
[4-187]
-----------
M
T
T
-
Y
T
S
-
I
A
N
V
I
K
E
R
R
S
V
R
-
T
F
T
-----------
D
K
A
V
-
E
K
D
L
L
I
E
L
L
N
D
A
T
W
A
P
N
H
K
H
R
E
P
W
N
C
K
L
Y
-
I
G
E
G
R
K
K
L
V
D
A
V
-
L
N
S
F
------------
T
--
E
E
--------------
E
R
A
K
R
G
----------------------------------------
K
I
L
S
D
--
R
F
L
S
T
P
A
-
Q
-----------------
I
V
V
Y
M
N
E
D
-
P
--------
R
------------------------------------------------------
Q
-------------
I
------------------------
Q
-------
R
-
D
E
D
----
Y
--
A
A
T
C
A
F
M
Q
N
F
Q
L
L
A
W
E
R
G
L
G
C
V
W
K
S
G
--
G
L
N
--
Y
N
P
L
F
I
E
G
I
----
G
L
T
R
-
G
Q
R
I
V
G
I
L
-
H
I
G
Y
---
F
D
K
--
A
---
P
E
-------
G
K
-------
A
R
T
P
I
T
E
K
M
E
I
-
I
--
34
HHSearch
78.41
20%
-100
- C2 -
2WZV
4
?
A:
[16-234]
---------------
A
Q
A
-
A
E
R
L
I
K
G
R
R
A
V
R
-
A
F
R
-----------
P
D
E
V
-
P
E
E
T
M
R
A
V
F
E
L
A
G
H
A
P
S
N
S
N
T
Q
P
W
H
V
E
V
V
-
S
G
-
A
A
R
D
R
L
A
E
A
-
L
V
T
A
H
----
A
E
E
R
V
--
T
--
V
D
F
P
--
Y
RE
G
L
--
F
Q
G
V
L
Q
E
R
R
A
D
F
G
S
R
L
Y
A
A
L
GIARDQ
T
D
L
L
------------------
Q
G
Y
N
T
E
S
L
R
F
Y
G
A
P
H
-
V
-----------------
A
M
L
F
A
P
N
N
-
T
--------
E
-------------------------------------------------------------------------------------------------------
A
R
I
----
A
--
G
D
M
G
I
Y
A
Q
T
L
M
L
A
M
T
A
H
G
I
A
S
C
P
Q
A
L
--
L
S
--
F
Y
A
D
T
V
R
A
E
L
----
G
V
E
-
N
-
R
K
L
L
M
G
I
-
S
F
G
Y
---
A
D
D
T
-
A
---
A
V
NG
V
----
R
I
-------
P
R
A
G
L
S
E
T
T
R
F
-
S
--
41
HHSearch
78.24
17%
-111
- C2 -
3BEM
3
MHQN_BACSU
A:
[14-217]
----------------
A
E
-
F
T
H
L
V
N
E
R
R
S
A
S
-
N
F
L
------
S
----
G
H
P
I
-
T
K
E
D
L
N
E
M
F
E
L
V
A
L
A
P
S
A
F
N
L
Q
H
T
K
Y
V
T
V
-
L
D
Q
D
V
K
E
K
L
K
Q
A
-
A
N
-----------------
G
-----------------
Q
-----------------------------------------------
Y
--
K
V
V
S
S
S
A
-
V
-----------------
L
L
V
L
G
D
K
Q
-
A
--------
Y
Q
------------------------
Q
A
A
D
I
Y
E
G
L
K
V
L
GILN
K
Q
E
Y
D
H
M
V
Q
D
T
V
S
F
-------------
Y
------------------------
E
N
R
G
E
Q
F
K
R
-
D
E
A
----
I
--
R
N
A
S
L
S
A
M
M
F
M
L
S
A
A
A
A
G
W
D
T
C
P
M
I
G
--
F
----
D
A
E
A
V
K
R
I
L
----
N
I
D
-
D
Q
F
E
V
V
M
M
I
-
T
I
G
K
---
E
K
T
E
S
R
---
R
P
-------
R
G
-------
Y
R
K
P
V
N
E
F
V
E
Y
----
11
PsiBlast_PDB
76.95
23%
-94
- C2 -
3EO8
2
?
A:
[12-217]
---------------------------
Q
S
V
R
-
K
F
K
N
-----
Q
----
D
--
V
-
S
D
E
D
I
L
K
M
I
K
A
A
G
A
A
P
S
G
K
N
I
Q
N
W
H
F
V
V
I
-
K
R
R
D
L
M
E
K
I
A
D
V
-
I
T
K
K
Q
----
Q
E
I
L
--------
V
E
--
M
--
D
K
--
V
S
V
D
K
A
N
R
F
R
K
------------------
F
------------------
V
K
N
F
T
L
--
F
Y
L
K
A
P
V
-
L
V
L
V
F
T
K
V
Y
NPSG
Y
Y
E
L
E
L
I
D
A
P
K
E
T
-
I
--------
D
K
------------------------
L
----------------------------
F
-------------
I
------------------------
R
-------
N
-
P
G
-----
M
--
Q
S
L
G
A
A
I
E
N
F
T
L
S
A
I
E
L
G
Y
G
S
C
W
L
T
S
QN
Y
A
A
D
E
I
E
A
V
L
E
A
E
T
----
G
F
E
K
G
E
Y
F
L
G
A
M
L
-
A
L
G
V
---
P
E
D
N
-
L
---
K
S
-------
P
S
-------
K
K
-
P
V
E
E
I
C
T
F
----
36
HHSearch
74.24
19%
-104
- C2 -
1YWQ
1
?
A:
[2-199]
------------
S
A
-
T
T
T
N
L
K
E
A
I
V
N
R
R
S
I
R
-
K
V
T
------
K
----
N
D
A
I
-
T
K
E
R
I
E
E
V
L
K
T
A
L
H
A
P
T
S
F
N
M
Q
S
G
R
M
V
V
L
-
M
D
G
E
H
-
E
K
F
W
D
I
-
V
K
E
T
L
----
R
A
R
V
P
A
--------------------
E
N
F
E
A
---------------------
T
------------------
V
E
-
R
L
K
--
G
F
H
A
G
V
G
-
T
-----------------
V
L
F
F
E
D
Q
A
T
V
E
K
M
Q
E
N
A
P
L
Y
------------------------
K
----------------------------
D
-------------
Q
------------------------
F
-------
P
-
F
W
S
----
H
--
Q
G
N
A
M
L
Q
H
T
V
W
M
L
L
S
A
E
G
I
G
A
S
L
Q
H
Y
--
N
P
I
--
V
D
A
E
V
K
E
T
W
----
N
I
P
-
A
E
W
S
L
V
G
Q
M
-
P
F
G
E
---
P
N
E
--
Q
---
P
A
-------
E
R
-------
T
F
L
P
T
E
D
V
V
K
F
----
3
PsiBlast_PDB
74.03
28%
-84
- C2 -
2B67
3
?
A:
[21-200]
----------------------------------------------
D
K
L
V
D
P
K
D
V
-
R
T
A
I
E
I
A
T
L
A
P
S
A
H
N
S
Q
P
W
K
F
V
V
V
-
R
E
--
K
N
A
E
L
A
K
L
A
Y
G
S
N
F
----
E
Q
V
S
S
A
P
V
T
I
A
L
F
T
--
D
--
T
D
L
A
K
R
A
R
K
I
A
R
V
G
G
------------------
A
------------------
N
N
F
S
E
E
--
Q
L
Q
Y
F
M
K
-
N
-----------------
L
-
P
A
E
F
A
R
-
Y
--------
S
E
------------------------
Q
----------------------------
Q
-------------
V
------------------------
S
-------
D
Y
L
A
L
----
N
--
A
G
L
--
V
A
M
N
L
V
L
A
L
T
D
Q
G
I
G
S
N
I
------
I
L
G
F
D
K
S
K
V
N
E
V
L
----
E
I
E
-
D
R
F
R
P
E
L
L
I
-
T
V
G
Y
---
T
D
E
--
K
---
L
E
-------
P
S
-------
Y
R
L
P
V
D
E
I
-------
32
HHSearch
73.91
18%
-102
- C2 -
1ICR
4
NFNB_ECOLI
A:
[2-216]
-----------------
D
-
I
I
S
V
A
L
K
R
H
S
T
K
-
A
F
D
------
A
----
S
K
K
L
-
T
P
E
Q
A
E
Q
I
K
T
L
L
Q
Y
S
P
S
S
T
N
S
Q
P
W
H
F
I
V
A
-
S
T
E
E
G
K
A
R
V
A
K
S
-
A
A
G
N
-----------
Y
-----------------------------------------------------------------
V
F
N
E
R
--
K
M
L
D
A
S
H
-
V
-----------------
V
V
F
C
A
K
T
A
-
M
--------
D
D
------------------------
V
----------------------------
W
L
K
L
V
V
D
Q
E
D
A
D
GR
F
AT
P
E
A
K
A
A
N
D
K
G
R
K
F
F
A
D
M
H
R
K
DL
H
-------
D
-
D
A
E
----
W
M
A
K
Q
V
Y
L
N
V
G
N
F
L
L
G
V
A
A
L
G
L
D
A
V
P
I
E
G
--
F
----
D
A
A
I
L
D
A
E
F
----
G
L
K
E
K
G
Y
T
S
L
V
V
V
-
P
V
G
H
---
H
S
V
E
-
D
FNA
T
L
-------
P
K
-------
S
R
L
P
Q
N
I
T
L
T
E
----
User Run . : Multi Template Modeling Result:
(3 SA)
.........10........20........30........40........50........60........70........80........90........100.......110.......120.......130.......140.......150.......160.......170.......180.......190.......200.......210..
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
T
LNL
S
V
D
E
V
L
T
T
T
R
S
V
R
K
RLDFDKPV
P
R
D
V
L
M
E
C
L
E
L
A
LQAPTGSNSQ
G
W
Q
W
V
F
VEDAAKKK
A
I
A
D
V
Y
LANARGYLSGPAPEYPDGD
T
R
G
E
R
MGRV
R
D
S
A
T
Y
L
A
E
H
M
HRA
P
V
L
L
I
PCLKGREDESAV
G
G
V
S
F
W
A
S
L
F
P
A
V
W
S
F
C
L
A
L
R
SRG
L
G
S
C
W
T
T
L
H
L
LDNGE
H
K
V
A
D
V
LGIP
Y
D
E
YSQG
G
L
L
P
I
A
YTQGIDFRPAKRLPAESVTHWNGW
82
94.59
100%
-107
- C- -
M082
-
A:
[1-288]
M
T
L
N
L
S
V
D
E
V
L
T
T
T
R
S
V
R
K
R
L
D
F
D
K
P
V
P
R
D
V
L
M
E
C
L
E
L
A
L
Q
A
P
T
G
S
N
S
Q
G
W
Q
W
V
F
V
E
D
A
A
K
K
K
A
I
A
D
V
Y
L
A
N
A
R
G
Y
L
S
G
P
A
P
E
Y
P
D
G
D
T
R
G
E
R
M
G
R
V
R
D
S
A
T
Y
L
A
E
H
M
H
R
A
P
V
L
L
I
P
C
L
K
G
R
E
D
E
S
A
V
G
G
V
S
F
W
A
S
L
F
P
A
V
W
S
F
C
L
A
L
R
S
R
G
L
G
S
C
W
T
T
L
H
L
L
D
N
G
E
H
K
V
A
D
V
L
G
I
P
Y
D
E
Y
S
Q
G
G
L
L
P
I
A
Y
T
Q
G
I
D
F
R
P
A
K
R
L
P
A
E
S
V
T
H
W
N
G
W
85
93.18
100%
-107
- C- -
M085
-
A:
[1-288]
M
T
L
N
L
S
V
D
E
V
L
T
T
T
R
S
V
R
K
R
L
D
F
D
K
P
V
P
R
D
V
L
M
E
C
L
E
L
A
L
Q
A
P
T
G
S
N
S
Q
G
W
Q
W
V
F
V
E
D
A
A
K
K
K
A
I
A
D
V
Y
L
A
N
A
R
G
Y
L
S
G
P
A
P
E
Y
P
D
G
D
T
R
G
E
R
M
G
R
V
R
D
S
A
T
Y
L
A
E
H
M
H
R
A
P
V
L
L
I
P
C
L
K
G
R
E
D
E
S
A
V
G
G
V
S
F
W
A
S
L
F
P
A
V
W
S
F
C
L
A
L
R
S
R
G
L
G
S
C
W
T
T
L
H
L
L
D
N
G
E
H
K
V
A
D
V
L
G
I
P
Y
D
E
Y
S
Q
G
G
L
L
P
I
A
Y
T
Q
G
I
D
F
R
P
A
K
R
L
P
A
E
S
V
T
H
W
N
G
W
75
53.72
100%
-31
- C- -
M075
-
A:
[4-253]
M
T
L
N
L
S
V
D
E
V
L
T
T
T
R
S
V
R
K
R
L
D
F
D
K
P
V
P
R
D
V
L
M
E
C
L
E
L
A
L
Q
A
P
T
G
S
N
S
Q
G
W
Q
W
V
F
V
E
D
A
A
K
K
K
A
I
A
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V
Y
L
A
N
A
R
G
Y
L
S
G
P
A
P
E
Y
P
D
G
D
T
R
G
E
R
M
G
R
V
R
D
S
A
T
Y
L
A
E
H
M
H
R
A
P
V
L
L
I
P
C
L
K
G
R
E
D
E
S
A
V
G
G
V
S
F
W
A
S
L
F
P
A
V
W
S
F
C
L
A
L
R
S
R
G
L
G
S
C
W
T
T
L
H
L
L
D
N
G
E
H
K
V
A
D
V
L
G
I
P
Y
D
E
Y
S
Q
G
G
L
L
P
I
A
Y
T
Q
G
I
D
F
R
P
A
K
R
L
P
A
E
S
V
T
H
W
N
G
W