@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 : T0783: (2014-05-19 )
SMHPQAVAAVLPAGGCGERMGVPTPKQFCPILERPLISYTLQALERVCWIKDIVVAVTGENMEVMKSIIQKYQHKRISLVEAGVTRHRSIFNGLKALAEDQINSKLSKPEVVIIHDAVRPFVEEGVLLKVVTAAKEHGAAGAIRPLVSTVVSPSADGCLDYSLERARHRASEMPQAFLFDVIYEAYQQCSDYDLEFGTECLQLALKYCCTKAKLVEGSPDLWKVTYKRDLYAAESIIKERISQEICVVMDTEEDNKHVGHLLEEVLKSELNHVKVTSEALGHAGRHLQQIILDQCYNFVCVNVTTSDFQETQKLLSMLEESSLCILYPVVVVSVHFLDFKLVPPSQKMENLMQIREFAKEVKERNILLYGLLISYPQDDQKLQESLRQGAIIIASLIKERNSGLIGQLLIA
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.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400..-.....410------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
SM
H
P
Q
A
V
A
A
VLPAGGCGERMGVP
T
P
K
Q
F
C
P
I
L
ER
P
L
I
S
Y
T
L
Q
A
L
E
R
V
C
W
I
K
D
I
V
V
A
VTGE
N
M
E
V
M
K
S
I
I
Q
K
Y
---
Q
H
--
K
---
R
I
S
L
V
E
A
G
V
T
R
H
R
S
I
F
N
G
L
K
A
L
A
E
D
Q
I
NSKLSKP
E
-
V
V
I
I
H
D
A
V
R
P
F
V
EEG
V
L
L
K
V
V
T
A
A
K
E-H-GAA
G
A
I
R
P
L
V
S
T
VVSPSADG--
C
L
D
Y
S
L
E
R
A
R
H
R
A
S
EM
P
Q
A
F
L
F
D
V
I
Y
E
A
Y
Q
Q
CSDY
D
L
E
F
-
G
T
E
C
L
Q
L
A
L
-
K
Y
CC--TK
A
K
---LVEGSP
D
L
W
K
V
T
YKR
D
L
Y
A
A
E
S
I
I
K
E
R
ISQE
I
C
V
V
MDTEED
N
K
H
V
G
H
L
L
E
E
V
L
K
SELN
H
V
K
V
T
S
E
--
A
L
G
H
A
G
R
H
L
Q
Q
I
I
L
D
QCY
N
F
V
C
V
NVT
T
S
D
F
Q
E
T
Q
K
L
L
S
M
L
E
ESS
L
C
I
L
Y
P
V
V
V
V
S
V
H
F
L
D
F
K
LVP
P
S
Q
K
M
E
N
L
M
Q
I
R
E
F
A
K
E
V
K
ER
N
I
L
L
Y
G
L
L
ISYPQD
D
Q
K
L
Q
E
S
L
RQ
G
A
I
I
I
A
S
L
I
K
E
RNSGL-I
G
Q
L
LIA-------------------------------
48
HHSearch
85.44
31%
-105
- C1 -
1VPA
3
ISPD_THEMA
A:
[13-230]
-----
M
N
V
A
I
L
L
A
A
G
K
G
E
R
M
S
E
N
V
P
K
Q
F
L
E
I
E
G
R
M
L
F
E
Y
P
L
S
T
F
L
K
S
E
A
I
D
G
V
V
I
V
T
R
R
E
W
F
E
V
V
E
K
R
V
------
F
H
E-
K
---
V
L
G
I
V
E
G
G
D
T
R
S
Q
S
V
R
S
A
L
E
F
L
E
K
F
-------
S
P
S
-
Y
V
L
V
H
D
S
A
R
P
F
L
R
K
K
H
V
S
E
V
L
R
R
A
R
E
-
T
-
G
A
A
T
L
A
L
K
N
S
D
A
L
V
R
V
E
N
D
R
---
I
-
E
Y
I
P
R
K
G
V
Y
R
I
L
T
P
Q
A
F
S
Y
E
I
L
K
K
A
H
E
N
G
G
-----
E
-
W
A
D
D
T
E
P
V
--
Q
K
L
G
--
V
K
I
A
---
L
V
E
G
D
P
L
C
F
K
V
T
F
K
E
D
L
E
L
A
R
I
I
A
R
E
W
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
84.05
28%
-118
- C1 -
2VSH
5
?
A:
[3-234]
------
I
Y
A
G
I
L
A
G
----------
P
K
Q
F
L
E
L
G
D
R
P
I
L
I
H
T
I
E
K
F
V
L
E
P
S
I
E
K
I
V
V
G
V
H
G
D
W
V
S
H
A
E
D
L
V
D
K
Y
LPL
Y
K
--
E
---
R
I
I
I
T
K
G
G
A
D
R
N
T
S
I
K
N
I
I
E
A
I
---
D
A
Y
R
P
L
T
P
E
D
-
I
V
V
T
H
D
S
V
R
P
F
I
T
L
R
M
I
Q
D
N
I
Q
L
A
Q
N
-
H
-
D
A
V
D
T
V
V
E
A
V
D
T
I
V
E
S
T
N
G
Q
--
F
I
T
D
I
P
N
R
A
H
L
Y
Q
G
Q
T
P
Q
T
F
R
C
K
D
F
M
D
L
Y
G
S
L
S
D
E
E
K
E
I
-
L
T
D
----
A
C
-
K
I
F
V
--
I
K
G
K
D
V
A
L
A
K
G
E
Y
S
N
L
K
I
T
T
V
T
D
L
K
I
A
K
S
M
I
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
83.88
29%
-113
- C1 -
3Q7U
1
ISPD_MYCTU
A:
[8-230]
------
V
V
A
I
V
P
A
A
G
S
G
E
R
L
A
V
G
V
P
K
A
F
Y
Q
L
D
G
Q
T
L
I
E
R
A
V
D
G
L
L
D
S
G
V
V
D
T
V
V
V
A
V
P
A
D
R
T
D
E
A
R
Q
I
L
-------
G
--
H
---
R
A
M
I
V
A
G
G
S
N
R
T
D
T
V
N
L
A
L
T
V
L
------
S
G
T
A
E
P
E
-
F
V
L
V
H
D
A
A
R
A
L
T
P
P
A
L
V
A
R
V
V
E
A
L
R
D
G
Y
-
A
A
V
V
P
V
L
P
L
S
D
T
I
K
A
V
D
A
N
G
--
V
V
L
G
T
P
E
R
A
G
L
R
A
V
Q
T
P
Q
G
F
T
T
D
L
L
L
R
S
Y
Q
R
G
S
-
L
D
-----
E
Y
T
D
D
A
S
L
V
E
H
I
G
--
G
Q
V
Q
---
V
V
D
G
D
P
L
A
F
K
I
T
T
K
L
D
L
L
L
A
Q
A
I
V
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
HHSearch
83.80
29%
-118
- C1 -
4KT7
-
?
A:
[6-233]
--
D
G
K
F
I
S
A
I
I
T
A
A
G
S
G
L
R
M
------
P
Y
I
E
V
G
G
R
K
V
L
E
I
T
L
D
T
V
S
R
V
K
E
I
D
E
I
I
L
V
I
R
K
D
D
E
D
I
I
K
D
I
L
E
K
Y
---
D
---
G
---
N
I
R
Y
V
Y
G
S
T
T
R
E
L
S
T
F
E
G
L
K
A
L
D
P
--------
Q
S
E
-
L
V
L
T
H
D
G
V
R
P
F
A
S
E
E
L
F
L
K
T
I
N
A
L
R
K
-
N
-
K
A
V
I
T
A
T
K
S
K
D
T
V
K
I
I
D
D
D
M
--
Y
V
D
F
T
P
N
R
D
Y
V
Y
N
I
Q
T
P
Q
A
F
D
K
K
L
I
Y
A
M
Y
E
K
Y
L
A
S
E
F
-
K
-
V
T
D
D
S
Q
L
F
--
E
F
F
D
RD
E
K
V
K
---
V
V
H
G
E
Y
S
N
I
K
I
T
T
Q
E
D
I
I
F
A
N
A
Y
L
Q
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
HHSearch
83.59
29%
-109
* C1 *
3Q80
2
ISPD_MYCTU
A:
[6-231]
----
G
E
V
V
A
I
V
P
A
A
G
S
G
E
R
L
A
V
G
V
P
K
A
F
Y
Q
L
D
G
Q
T
L
I
E
R
A
V
D
G
L
L
D
S
G
V
V
D
T
V
V
V
A
V
P
A
D
R
T
D
E
A
R
Q
I
L
G
H
------------
R
A
M
I
V
A
G
G
S
N
R
T
D
T
V
N
L
A
L
T
V
L
S
---------
E
P
E
-
F
V
L
V
H
D
A
A
R
A
L
T
P
P
A
L
V
A
R
V
V
E
A
L
R
D
-
G
Y
A
A
V
V
P
V
L
P
L
S
D
T
I
K
A
V
D
A
N
G
--
V
V
L
G
T
P
E
R
A
G
L
R
A
V
Q
T
P
Q
G
F
T
T
D
L
L
L
R
S
Y
Q
R
G
S
L
-----E
Y
T
D
D
A
S
L
V
--
E
H
I
G
--
G
Q
V
Q
---
V
V
D
G
D
P
L
A
F
K
I
T
T
K
L
D
L
L
L
A
Q
A
I
V
R
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
HHSearch
83.13
29%
-118
- C1 -
2VSH
5
?
A:
[3-234]
------
I
Y
A
G
I
L
A
G
----------
P
K
Q
F
L
E
L
G
D
R
P
I
L
I
H
T
I
E
K
F
V
L
E
P
S
I
E
K
I
V
V
G
V
H
G
D
W
V
S
H
A
E
D
L
V
D
K
Y
L--
P
L
YK
E
---
R
I
I
I
T
K
G
G
A
D
R
N
T
S
I
K
N
I
I
E
A
I
D
A
Y
R
P
----
L
T
P
E
D
I
V
V
T
H
D
S
V
R
P
F
I
T
L
R
M
I
Q
D
N
I
Q
L
A
Q
N
-
H
-
D
A
V
D
T
V
V
E
A
V
D
T
I
V
E
S
T
N
G
Q
--
F
I
T
D
I
P
N
R
A
H
L
Y
Q
G
Q
T
P
Q
T
F
R
C
K
D
F
M
D
L
Y
G
S
L
S
D
E
E
K
E
I
-
L
T
D
A
C
K
I
F
--
V
I
K
G
--
K
D
V
A
---
L
A
K
G
E
Y
S
N
L
K
I
T
T
V
T
D
L
K
I
A
K
S
M
I
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
HHSearch
82.68
32%
-110
- C1 -
2XWL
1
?
A:
[2-220]
-----
A
T
V
A
V
V
P
A
A
G
S
G
E
R
L
R
A
G
R
P
K
A
F
V
T
L
G
G
T
P
L
L
E
H
A
L
S
G
L
R
A
S
G
V
I
D
R
I
V
I
A
V
P
P
A
L
T
D
E
S
K
L
V
F
-
G
G
-------
E
---
D
S
V
I
V
S
G
G
V
D
R
T
E
S
V
A
L
A
L
E
A
-
A
--------
G
D
A
E
-
F
V
L
V
H
D
A
A
R
A
L
T
P
P
A
L
I
A
R
V
V
A
A
L
K
E
-
G
H
S
A
V
V
P
G
L
A
P
A
D
T
I
K
A
V
D
A
N
G
--
A
V
L
G
T
P
E
R
A
G
L
R
A
V
Q
T
P
Q
G
F
H
A
D
V
L
R
R
A
Y
A
R
A
T
A
---
G
G
-
V
T
D
D
A
S
L
V
--
E
Q
L
G
--
T
P
V
Q
---
I
V
D
G
D
P
L
A
F
K
I
T
T
P
L
D
L
V
L
A
E
A
V
L
A
H
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
82.57
29%
-109
- C1 -
3Q80
2
ISPD_MYCTU
A:
[8-230]
------
V
V
A
I
V
P
A
A
G
S
G
E
R
L
A
V
G
V
P
K
A
F
Y
Q
L
D
G
Q
T
L
I
E
R
A
V
D
G
L
L
D
S
G
V
V
D
T
V
V
V
A
V
P
A
D
R
T
D
E
A
R
Q
I
L
-------
G
--
H
---
R
A
M
I
V
A
G
G
S
N
R
T
D
T
V
N
L
A
L
T
V
L
------
S
---
E
P
E
-
F
V
L
V
H
D
A
A
R
A
L
T
P
P
A
L
V
A
R
V
V
E
A
L
R
D
G
Y
-
A
A
V
V
P
V
L
P
L
S
D
T
I
K
A
V
D
A
N
G
--
V
V
L
G
T
P
E
R
A
G
L
R
A
V
Q
T
P
Q
G
F
T
T
D
L
L
L
R
S
Y
Q
R
G
S
-
L
------
E
Y
T
D
D
A
S
L
V
E
H
I
G
--
G
Q
V
Q
---
V
V
D
G
D
P
L
A
F
K
I
T
T
K
L
D
L
L
L
A
Q
A
I
V
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
82.28
31%
-102
- C1 -
1VPA
3
ISPD_THEMA
A:
[16-229]
--------
A
I
L
L
A
A
G
K
G
E
R
M
S
E
N
V
P
K
Q
F
L
E
I
E
G
R
M
L
F
E
Y
P
L
S
T
F
L
K
S
E
A
I
D
G
V
V
I
V
T
R
R
E
W
F
E
V
V
E
K
R
V
--
F
---
H
E
--
K
---
V
L
G
I
V
E
G
G
D
T
R
S
Q
S
V
R
S
A
L
E
F
L
------
E
K
F
S
-
P
S
-
Y
V
L
V
H
D
S
A
R
P
F
L
R
K
K
H
V
S
E
V
L
R
R
A
R
E
-
T
-
G
A
A
T
L
A
L
K
N
S
D
A
L
V
R
V
E
N
D
---
R
I
E
Y
I
P
R
K
G
V
Y
R
I
L
-
T
P
Q
A
F
S
Y
E
I
L
K
K
A
H
E
N
G
G
E
W
A
D
D
---
T
E
P
V
Q
-----
K
L
G
--
V
K
I
A
---
L
V
E
G
D
P
L
C
F
K
V
T
F
K
E
D
L
E
L
A
R
I
I
A
R
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
81.28
28%
-113
- C1 -
2VSI
1
?
A:
[3-234]
------
I
Y
A
G
I
L
A
G
G
T
--------
P
K
Q
F
L
E
L
G
D
R
P
I
L
I
H
T
I
E
K
F
V
L
E
P
S
I
E
K
I
V
V
G
V
H
G
D
W
V
S
H
A
E
D
L
V
D
K
Y
LPL
Y
K
--
E
---
R
I
I
I
T
K
G
G
A
D
R
N
T
S
I
K
N
I
I
E
A
I
---
D
A
Y
R
P
L
T
P
E
D
-
I
V
V
T
H
D
S
V
R
P
F
I
T
L
R
M
I
Q
D
N
I
Q
L
A
Q
N
-
H
-
D
A
V
D
T
V
V
E
A
V
D
T
I
V
E
S
T
N
G
Q
--
F
I
T
D
I
P
N
R
A
H
L
Y
Q
G
Q
T
P
Q
T
F
R
C
K
D
F
M
D
L
Y
G
S
L
S
D
E
E
K
E
I
-
L
T
D
----
A
C
-
K
I
F
V
--
I
K
G
K
D
V
A
L
A
K
G
E
Y
S
N
L
K
I
T
T
V
T
D
L
K
I
A
K
S
M
I
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
81.06
29%
-118
- C1 -
2XWL
1
?
A:
[2-218]
-----
A
T
V
A
V
V
P
A
A
G
S
G
E
R
L
R
A
G
R
P
K
A
F
V
T
L
G
G
T
P
L
L
E
H
A
L
S
G
L
R
A
S
G
V
I
D
R
I
V
I
A
V
P
P
A
L
T
D
E
S
K
L
V
---
F
---
G
G
--
E
---
D
S
V
I
V
S
G
G
V
D
R
T
E
S
V
A
L
A
L
E
A
A
G
D
---------
A
E
-
F
V
L
V
H
D
A
A
R
A
L
T
P
P
A
L
I
A
R
V
V
A
A
L
K
E
G
H
-
S
A
V
V
P
G
L
A
P
A
D
T
I
K
A
V
D
A
N
G
--
A
V
L
G
T
P
E
R
A
G
L
R
A
V
Q
T
P
Q
G
F
H
A
D
V
L
R
R
A
Y
A
R
A
T
A
G
G
V
----
T
D
D
A
S
L
-
V
-
E
Q
L
G
--
T
P
V
Q
---
I
V
D
G
D
P
L
A
F
K
I
T
T
P
L
D
L
V
L
A
E
A
V
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
80.07
27%
-112
- C1 -
2YC3
1
ISPD_ARATH
A:
[3-226]
----
K
S
V
S
V
I
L
L
A
G
G
Q
G
-------
P
K
Q
Y
I
P
L
L
G
Q
P
I
A
L
Y
S
F
F
T
F
S
R
M
P
E
V
K
E
I
V
V
V
C
D
----
P
F
F
R
D
I
F
E
E
Y
---
E
E
--
S
ID
V
D
L
S
F
A
I
P
G
K
E
R
Q
D
S
V
Y
S
G
L
Q
E
I
---
D
V
N
S
-----
E
-
L
V
C
I
H
D
S
A
R
P
L
V
N
T
E
D
V
E
K
V
L
K
D
G
S
A
-
V
-
G
A
A
V
L
G
V
P
A
K
A
T
I
K
E
V
N
S
D
S
--
L
V
V
K
T
L
D
R
K
T
L
W
E
M
Q
T
P
Q
V
I
K
P
E
L
L
K
K
G
F
E
L
V
K
S
E
G
L
E
V
--
T
D
D
V
S
I
-
V
-
E
Y
L
K
--
H
P
V
Y
---
V
S
Q
G
S
Y
T
N
I
K
V
T
T
P
D
D
L
L
L
A
E
R
I
L
S
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
79.38
29%
-112
- C1 -
3OKR
-
ISPD_MYCTU
A:
[8-230]
------
V
V
A
I
V
P
A
A
----------
P
K
A
F
Y
Q
L
D
G
Q
T
L
I
E
R
A
V
D
G
L
L
D
S
G
V
V
D
T
V
V
V
A
V
P
A
D
R
T
D
E
A
R
Q
I
L
-------
G
--
H
---
R
A
M
I
V
A
G
G
S
N
R
T
D
T
V
N
L
A
L
T
V
L
------
S
---
E
P
E
-
F
V
L
V
H
D
A
A
R
A
L
T
P
P
A
L
V
A
R
V
V
E
A
L
R
D
G
Y
-
A
A
V
V
P
V
L
P
L
S
D
T
I
K
A
V
D
A
N
G
--
V
V
L
G
T
P
E
R
A
G
L
R
A
V
Q
T
P
Q
G
F
T
T
D
L
L
L
R
S
Y
Q
------------
Y
T
D
D
A
S
L
V
E
H
I
G
--
G
Q
V
Q
---
V
V
D
G
D
P
L
A
F
K
I
T
T
K
L
D
L
L
L
A
Q
A
I
V
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
78.84
29%
-116
- C1 -
2XWM
1
?
A:
[2-218]
-----
A
T
V
A
V
V
P
A
A
G
S
G
E
R
L
R
A
G
R
P
K
A
F
V
T
L
G
G
T
P
L
L
E
H
A
L
S
G
L
R
A
S
G
V
I
D
R
I
V
I
A
V
P
P
A
L
T
D
E
S
K
L
V
---
F
---
G
G
--
E
---
D
S
V
I
V
S
G
G
V
D
R
T
E
S
V
A
L
A
L
E
A
A
G
D
---------
A
E
-
F
V
L
V
H
D
A
A
R
A
L
T
P
P
A
L
I
A
R
V
V
A
A
L
K
E
G
H
-
S
A
V
V
P
G
L
A
P
A
D
T
I
K
A
V
D
A
N
G
--
A
V
L
G
T
P
E
R
A
G
L
R
A
V
Q
T
P
Q
G
F
H
A
D
V
L
R
R
A
Y
A
R
A
T
A
G
G
V
----
T
D
D
A
S
L
-
V
-
E
Q
L
G
--
T
P
V
Q
---
I
V
D
G
D
P
L
A
F
K
I
T
T
P
L
D
L
V
L
A
E
A
V
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
77.57
26%
-114
- C1 -
1VGT
-
ISPD_ECOLI
A:
[8-227]
------
V
C
A
V
V
P
A
A
----------
P
K
Q
Y
L
S
I
G
N
Q
T
I
L
E
H
S
V
H
A
L
L
A
H
P
R
V
K
R
V
V
I
A
I
S
---
S
R
F
A
Q
--
L
P
L
A
---
N
H
--
P
---
Q
I
T
V
V
D
G
G
D
E
R
A
D
S
V
L
A
G
L
K
A
A
G
D
A
Q
W
----------
V
L
V
H
D
A
A
R
P
C
L
H
Q
D
D
L
A
R
L
L
A
L
S
E
T
-
S
-
R
T
G
G
I
L
A
A
P
V
R
D
T
M
K
R
A
E
P
G
KN
A
I
A
H
T
V
D
R
N
G
L
W
H
A
L
T
P
Q
F
F
P
R
E
L
L
H
D
C
L
T
R
A
L
N
E
G
A
T
I
-
T
D
E
A
--
S
A
L
-
E
Y
C
G
--
F
H
P
Q
---
L
V
E
G
R
A
D
N
I
K
V
T
--
E
D
L
A
L
A
E
F
Y
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
HHSearch
77.45
27%
-107
- C1 -
2YC3
1
ISPD_ARATH
A:
[3-226]
----
K
S
V
S
V
I
L
L
A
G
G
Q
G
-------
P
K
Q
Y
I
P
L
L
G
Q
P
I
A
L
Y
S
F
F
T
F
S
R
M
P
E
V
K
E
I
V
V
V
C
D
P
F
F
R
D
I
F
E
E
Y
E
E
S
I
---
D
V
------
D
L
S
F
A
I
P
G
K
E
R
Q
D
S
V
Y
S
G
L
Q
E
I
D
V
--------
N
S
E
-
L
V
C
I
H
D
S
A
R
P
L
V
N
T
E
D
V
E
K
V
L
K
D
G
S
A
-
V
-
G
A
A
V
L
G
V
P
A
K
A
T
I
K
E
V
N
S
D
S
--
L
V
V
K
T
L
D
R
K
T
L
W
E
M
Q
T
P
Q
V
I
K
P
E
L
L
K
K
G
F
E
L
V
K
S
E
G
L
-
E
-
V
T
D
D
V
S
I
V
--
E
Y
L
K
--
H
P
V
Y
---
V
S
Q
G
S
Y
T
N
I
K
V
T
T
P
D
D
L
L
L
A
E
R
I
L
S
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
77.13
27%
-111
- C1 -
4NAL
2
?
A:
[3-226]
----
K
S
V
S
V
I
L
L
A
G
G
---------
P
K
Q
Y
I
P
L
L
G
Q
P
I
A
L
Y
S
F
F
T
F
S
R
M
P
E
V
K
E
I
V
V
V
C
D
----
P
F
F
R
D
I
F
E
E
Y
---
E
E
--
S
ID
V
D
L
S
F
A
I
P
G
K
E
R
Q
D
S
V
Y
S
G
L
Q
E
I
---
D
V
N
S
-----
E
-
L
V
C
I
H
D
S
A
R
P
L
V
N
T
E
D
V
E
K
V
L
K
D
G
S
A
-
V
-
G
A
A
V
L
G
V
P
A
K
A
T
I
K
E
V
N
S
D
S
--
L
V
V
K
T
----
T
L
W
E
M
Q
T
P
Q
V
I
K
P
E
L
L
K
K
G
F
E
L
V
K
S
E
G
L
E
V
--
T
D
D
V
S
I
-
V
-
E
Y
L
K
--
H
P
V
Y
---
V
S
Q
G
S
Y
T
N
I
K
V
T
T
P
D
D
L
L
L
A
E
R
I
L
S
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
SP3
77.07
16%
-90
- C1 -
1W55
4
ISPDF_CAMJE
A:
[2-370]
----
S
E
M
S
L
I
M
L
A
A
G
N
S
T
R
F
N
T
K
V
K
K
Q
F
L
R
L
G
N
D
P
L
W
L
Y
A
T
K
N
L
S
S
F
Y
P
F
K
K
I
V
V
T
S
--
S
N
I
T
Y
M
K
K
F
--------
T
--
K
---
N
Y
E
F
I
E
G
G
D
T
R
A
E
S
L
K
K
A
L
E
L
I
----------
D
S
E
-
F
V
M
V
S
D
V
A
R
V
L
V
S
K
N
L
F
D
R
L
I
E
N
L
D
K
-
A
-
D
C
I
T
P
A
L
K
V
A
D
T
T
L
F
D
N
--------
E
A
L
Q
R
E
K
I
K
L
I
Q
T
P
Q
I
S
K
T
K
L
L
K
K
A
L
-----
D
Q
N
L
E
-
F
T
D
-
D
S
T
A
I
-
A
A
M
G
--
G
K
I
W
---
F
V
E
G
E
E
N
A
R
K
L
T
F
K
E
D
L
K
K
L
---------
D
L
P
T
P
S
F
E
I
F
T
G
N
G
F
D
V
H
E
F
G
E
N
R
P
L
L
L
A
G
V
Q
I
H
P
T
M
G
L
K
A
H
S
D
G
D
----------------
V
L
A
--
H
S
L
T
D
A
I
L
G
A
A
---
G
L
G
D
------
I
G
E
L
Y
P
D
--
T
D
M
K
F
K
N
A
N
S
M
E
L
L
K
Q
A
Y
D
K
V
R
E
I
G
F
E
L
I
N
I
D
I
C
V
M
A
Q
S
P
K
L
K
D
F
K
Q
A
M
Q
S
N
I
A
H
T
L
-----
D
L
D
E
F
R
I
N
V
K
A
T
T
TEKLGFIGRKE
G
M
A
V
L
S
S
V
N
L
K
Y
FDWTR
17
PsiBlast_PDB
76.62
27%
-115
- C1 -
2YC5
1
ISPD_ARATH
A:
[3-225]
----
K
S
V
S
V
I
L
L
A
G
--------
S
M
P
K
Q
Y
I
P
L
L
G
Q
P
I
A
L
Y
S
F
F
T
F
S
R
M
P
E
V
K
E
I
V
V
V
C
D
----
P
F
F
R
D
I
F
E
E
Y
---
E
E
--
S
ID
V
D
L
S
F
A
I
P
G
K
E
R
Q
D
S
V
Y
S
G
L
Q
E
I
---
D
V
N
S
-----
E
-
L
V
C
I
H
D
S
A
R
P
L
V
N
T
E
D
V
E
K
V
L
K
D
G
S
A
-
V
-
G
A
A
V
L
G
V
P
A
K
A
T
I
K
E
V
N
S
D
S
--
L
V
V
K
T
L
D
R
K
T
L
W
E
M
Q
T
P
Q
V
I
K
P
E
L
L
K
K
G
F
E
L
V
K
S
E
G
L
E
V
--
T
D
D
V
S
I
-
V
-
E
Y
L
K
--
H
P
V
Y
---
V
S
Q
G
S
Y
T
N
I
K
V
T
T
P
D
D
L
L
L
A
E
R
I
L
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
76.13
26%
-104
- C1 -
1INI
1
ISPD_ECOLI
A:
[8-228]
------
V
C
A
V
V
P
A
A
G
F
G
R
R
M
Q
T
E
C
P
K
Q
Y
L
S
I
G
N
Q
T
I
L
E
H
S
V
H
A
L
L
A
H
P
R
V
K
R
V
V
I
A
I
S
P
G
D
S
R
F
A
Q
--
L
P
L
A
---
N
H
--
P
---
Q
I
T
V
V
D
G
G
D
E
R
A
D
S
V
L
A
G
L
K
A
A
G
D
A
Q
W
----------
V
L
V
H
D
A
A
R
P
C
L
H
Q
D
D
L
A
R
L
L
A
L
S
E
T
-
S
-
R
T
G
G
I
L
A
A
P
V
R
D
T
M
K
R
A
E
P
G
KN
A
I
A
H
T
V
D
R
N
G
L
W
H
A
L
T
P
Q
F
F
P
R
E
L
L
H
D
C
L
T
R
A
L
N
E
G
A
T
I
-
T
D
E
A
--
S
A
L
-
E
Y
C
G
--
F
H
P
Q
---
L
V
E
G
R
A
D
N
I
K
V
T
R
P
E
D
L
A
L
A
E
F
Y
L
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
SM
H
P
Q
A
V
A
A
VLPAGGCGERMGVP
T
P
K
Q
F
C
P
I
L
ER
P
L
I
S
Y
T
L
Q
A
L
E
R
V
C
W
I
K
D
I
V
V
A
VTGE
N
M
E
V
M
K
S
I
I
Q
K
Y
Q
H
K
R
I
S
L
V
E
A
G
V
T
R
H
R
S
I
F
N
G
L
K
A
L
A
E
D
Q
I
NSKLSKP
E
V
V
I
I
H
D
A
V
R
P
F
V
EEG
V
L
L
K
V
V
T
A
A
K
EHGAA
G
A
I
R
P
L
V
S
T
VVSPSADG
C
L
D
Y
S
L
E
R
A
R
H
R
A
S
EM
P
Q
A
F
L
F
D
V
I
Y
E
A
Y
Q
Q
CSDY
D
L
E
F
G
T
E
C
L
Q
L
A
L
K
Y
CCTK
A
K
LVEGSP
D
L
W
K
V
T
YKR
D
L
Y
A
A
E
S
I
I
K
E
R
ISQE
I
C
V
V
MDTEED
N
K
H
V
G
H
L
L
E
E
V
L
K
SELN
H
V
K
V
T
S
E
A
L
G
H
A
G
R
H
L
Q
Q
I
I
L
D
QCY
N
F
V
C
V
NVT
T
S
D
F
Q
E
T
Q
K
L
L
S
M
L
E
ESS
L
C
I
L
Y
P
V
V
V
V
S
V
H
F
L
D
F
K
LVP
P
S
Q
K
M
E
N
L
M
Q
I
R
E
F
A
K
E
V
K
ER
N
I
L
L
Y
G
L
L
ISYPQD
D
Q
K
L
Q
E
S
L
RQ
G
A
I
I
I
A
S
L
I
K
E
RNSGLI
G
Q
L
LIA
75
40.18
100%
1
- C- -
M075
-
A:
[3-416]
S
M
H
P
Q
A
V
A
A
V
L
P
A
G
G
C
G
E
R
M
G
V
P
T
P
K
Q
F
C
P
I
L
E
R
P
L
I
S
Y
T
L
Q
A
L
E
R
V
C
W
I
K
D
I
V
V
A
V
T
G
E
N
M
E
V
M
K
S
I
I
Q
K
Y
Q
H
K
R
I
S
L
V
E
A
G
V
T
R
H
R
S
I
F
N
G
L
K
A
L
A
E
--------
K
P
E
V
V
I
I
H
D
A
V
R
P
F
V
E
E
G
V
L
L
K
V
V
T
A
A
K
E
H
G
A
A
G
A
I
R
P
L
V
S
T
V
V
S
P
S
A
D
G
C
L
D
Y
S
L
E
R
A
R
H
R
A
S
E
M
P
Q
A
F
L
F
D
V
I
Y
E
A
Y
Q
Q
C
S
D
Y
D
L
E
F
G
T
E
C
L
Q
L
A
L
K
Y
C
C
T
K
A
K
L
V
E
G
S
P
D
L
W
K
V
T
Y
K
R
D
L
Y
A
A
E
S
I
I
K
E
R
I
S
Q
E
I
C
V
V
M
D
T
E
E
D
N
K
H
V
G
H
L
L
E
E
V
L
K
S
E
L
N
H
V
K
V
T
S
E
A
L
G
H
A
G
R
H
----------------
V
T
T
S
D
F
Q
E
T
Q
K
L
L
S
M
L
E
E
S
S
L
C
I
L
Y
P
V
V
V
V
S
V
H
F
L
D
F
K
L
V
P
P
S
Q
K
M
E
N
L
M
Q
I
R
E
F
A
K
E
V
K
E
R
N
I
L
L
Y
G
L
L
I
S
Y
P
Q
D
D
Q
K
L
Q
E
S
L
R
Q
G
A
I
I
I
A
S
L
I
K
E
R
N
S
G
L
I
G
Q
L
L
I
A
80
35.94
100%
7
- C- -
M080
-
A:
[3-418]
S
M
H
P
Q
A
V
A
A
V
L
P
A
G
G
C
G
E
R
M
G
V
P
T
P
K
Q
F
C
P
I
L
E
R
P
L
I
S
Y
T
L
Q
A
L
E
R
V
C
W
I
K
D
I
V
V
A
V
T
G
E
N
M
E
V
M
K
S
I
I
Q
K
Y
Q
H
K
R
I
S
L
V
E
A
G
V
T
R
H
R
S
I
F
N
G
L
K
A
L
A
E
D
Q
I
N
S
K
L
S
K
P
E
V
V
I
I
H
D
A
V
R
P
F
V
E
E
G
V
L
L
K
V
V
T
A
A
K
E
H
G
A
A
G
A
I
R
P
L
V
S
T
V
V
S
P
S
A
D
G
C
L
D
Y
S
L
E
R
A
R
H
R
A
S
E
M
P
Q
A
F
L
F
D
V
I
Y
E
A
Y
Q
Q
C
S
D
Y
D
L
E
F
G
T
E
C
L
Q
L
A
L
K
Y
C
C
T
K
A
K
L
V
E
G
S
P
D
L
W
K
V
T
Y
K
R
D
L
Y
A
A
E
S
I
I
K
E
R
I
S
Q
E
I
C
V
V
M
D
T
E
E
D
N
K
H
V
G
H
L
L
E
E
V
L
K
S
E
L
N
H
V
K
V
T
S
E
A
L
G
H
A
G
R
H
----------------
V
T
T
S
D
F
Q
E
T
Q
K
L
L
S
M
L
E
E
S
S
L
C
I
L
Y
P
V
V
V
V
S
V
H
F
L
D
F
K
L
V
P
P
S
Q
K
M
E
N
L
M
Q
I
R
E
F
A
K
E
V
K
E
R
N
I
L
L
Y
G
L
L
I
S
Y
P
Q
D
D
Q
K
L
Q
E
S
L
R
Q
G
A
I
I
I
A
S
L
I
K
E
R
N
S
G
L
I
G
Q
L
L
I
A
77
35.94
100%
6
- C- -
M077
-
A:
[3-418]
S
M
H
P
Q
A
V
A
A
V
L
P
A
G
G
C
G
E
R
M
G
V
P
T
P
K
Q
F
C
P
I
L
E
R
P
L
I
S
Y
T
L
Q
A
L
E
R
V
C
W
I
K
D
I
V
V
A
V
T
G
E
N
M
E
V
M
K
S
I
I
Q
K
Y
Q
H
K
R
I
S
L
V
E
A
G
V
T
R
H
R
S
I
F
N
G
L
K
A
L
A
E
D
Q
I
N
S
K
L
S
K
P
E
V
V
I
I
H
D
A
V
R
P
F
V
E
E
G
V
L
L
K
V
V
T
A
A
K
E
H
G
A
A
G
A
I
R
P
L
V
S
T
V
V
S
P
S
A
D
G
C
L
D
Y
S
L
E
R
A
R
H
R
A
S
E
M
P
Q
A
F
L
F
D
V
I
Y
E
A
Y
Q
Q
C
S
D
Y
D
L
E
F
G
T
E
C
L
Q
L
A
L
K
Y
C
C
T
K
A
K
L
V
E
G
S
P
D
L
W
K
V
T
Y
K
R
D
L
Y
A
A
E
S
I
I
K
E
R
I
S
Q
E
I
C
V
V
M
D
T
E
E
D
N
K
H
V
G
H
L
L
E
E
V
L
K
S
E
L
N
H
V
K
V
T
S
E
A
L
G
H
A
G
R
H
----------------
V
T
T
S
D
F
Q
E
T
Q
K
L
L
S
M
L
E
E
S
S
L
C
I
L
Y
P
V
V
V
V
S
V
H
F
L
D
F
K
L
V
P
P
S
Q
K
M
E
N
L
M
Q
I
R
E
F
A
K
E
V
K
E
R
N
I
L
L
Y
G
L
L
I
S
Y
P
Q
D
D
Q
K
L
Q
E
S
L
R
Q
G
A
I
I
I
A
S
L
I
K
E
R
N
S
G
L
I
G
Q
L
L
I
A
76
35.82
100%
11
- C- -
M076
-
A:
[3-417]
S
M
H
P
Q
A
V
A
A
V
L
P
A
G
G
C
G
E
R
M
G
V
P
T
P
K
Q
F
C
P
I
L
E
R
P
L
I
S
Y
T
L
Q
A
L
E
R
V
C
W
I
K
D
I
V
V
A
V
T
G
E
N
M
E
V
M
K
S
I
I
Q
K
Y
Q
H
K
R
I
S
L
V
E
A
G
V
T
R
H
R
S
I
F
N
G
L
K
A
L
A
E
D
-------
K
P
E
V
V
I
I
H
D
A
V
R
P
F
V
E
E
G
V
L
L
K
V
V
T
A
A
K
E
H
G
A
A
G
A
I
R
P
L
V
S
T
V
V
S
P
S
A
D
G
C
L
D
Y
S
L
E
R
A
R
H
R
A
S
E
M
P
Q
A
F
L
F
D
V
I
Y
E
A
Y
Q
Q
C
S
D
Y
D
L
E
F
G
T
E
C
L
Q
L
A
L
K
Y
C
C
T
K
A
K
L
V
E
G
S
P
D
L
W
K
V
T
Y
K
R
D
L
Y
A
A
E
S
I
I
K
E
R
I
S
Q
E
I
C
V
V
M
D
T
E
E
D
N
K
H
V
G
H
L
L
E
E
V
L
K
S
E
L
N
H
V
K
V
T
S
E
A
L
G
H
A
G
R
H
----------------
V
T
T
S
D
F
Q
E
T
Q
K
L
L
S
M
L
E
E
S
S
L
C
I
L
Y
P
V
V
V
V
S
V
H
F
L
D
F
K
L
V
P
P
S
Q
K
M
E
N
L
M
Q
I
R
E
F
A
K
E
V
K
E
R
N
I
L
L
Y
G
L
L
I
S
Y
P
Q
D
D
Q
K
L
Q
E
S
L
R
Q
G
A
I
I
I
A
S
L
I
K
E
R
N
S
G
L
I
G
Q
L
L
I
A
79
34.12
100%
2
- C- -
M079
-
A:
[3-417]
S
M
H
P
Q
A
V
A
A
V
L
P
A
G
G
C
G
E
R
M
G
V
P
T
P
K
Q
F
C
P
I
L
E
R
P
L
I
S
Y
T
L
Q
A
L
E
R
V
C
W
I
K
D
I
V
V
A
V
T
G
E
N
M
E
V
M
K
S
I
I
Q
K
Y
Q
H
K
R
I
S
L
V
E
A
G
V
T
R
H
R
S
I
F
N
G
L
K
A
L
A
E
D
-------
K
P
E
V
V
I
I
H
D
A
V
R
P
F
V
E
E
G
V
L
L
K
V
V
T
A
A
K
E
H
G
A
A
G
A
I
R
P
L
V
S
T
V
V
S
P
S
A
D
G
C
L
D
Y
S
L
E
R
A
R
H
R
A
S
E
M
P
Q
A
F
L
F
D
V
I
Y
E
A
Y
Q
Q
C
S
D
Y
D
L
E
F
G
T
E
C
L
Q
L
A
L
K
Y
C
C
T
K
A
K
L
V
E
G
S
P
D
L
W
K
V
T
Y
K
R
D
L
Y
A
A
E
S
I
I
K
E
R
I
S
Q
E
I
C
V
V
M
D
T
E
E
D
N
K
H
V
G
H
L
L
E
E
V
L
K
S
E
L
N
H
V
K
V
T
S
E
A
L
G
H
A
G
R
H
----------------
V
T
T
S
D
F
Q
E
T
Q
K
L
L
S
M
L
E
E
S
S
L
C
I
L
Y
P
V
V
V
V
S
V
H
F
L
D
F
K
L
V
P
P
S
Q
K
M
E
N
L
M
Q
I
R
E
F
A
K
E
V
K
E
R
N
I
L
L
Y
G
L
L
I
S
Y
P
Q
D
D
Q
K
L
Q
E
S
L
R
Q
G
A
I
I
I
A
S
L
I
K
E
R
N
S
G
L
I
G
Q
L
L
I
A