@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 : T0760: (2014-05-01 )
MYMKKLKFITLTLAIIITLPMLQSCLDDNDHQSRSLVISTINQISEDSKEFYFTLDNGKTMFPSNSQAWGGEKFENGQRAFVIFNELEQPVNGYDYNIQVRDITKVLTKEIVTMDDEENTEEKIGDDKINATYMWISKDKKYLTIEFQYYSTHSEDKKHFLNLVINNKEADSAAENEDNTDDEYINLEFRHNSERDSPDHLGEGYVSFKLDKIEEQIEGKKGLNIRVRTLYDGIKNYKVQFP
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)
-----------------------------------------------------------------------------------------------------------------------------------------------MY
M
K
K
L
K
F
I
T
L
-
T
L
A
I
I
I
T
L
P
M
L
Q
S
C
LDDNDHQ
S
R
--
S
L
V
-
I
---
S
----
T
I
-
N
---
Q
ISEDS-------------
K
E
F
Y
-
F
T
LDNG
K
T
MFPSNS---QAW-----G----GEK-FE---NG
Q
R
A
F
--
V
I
F
N
E
L---EQPVNG--------------
Y
-
D
Y
N
I
Q
V
R
---------
D
I
T
K
---
V
L
T
----
K
--
E
I
VT-MDD--EEN
T
E
E
KIG-DD-------KI
N
A
--
T
---------
Y
------------
M
--
W
ISKD
K
-------------
K
-----
Y
L
T
I
E
F
Q
Y
YSTH--SE
D
---------
K
K
H
F
L
N
--
L
V
INNKE-----AD-----SAA----------ENEDN----------TDD
E
Y
I
N
L
------
E
-
F
R
HN-------SERDS------P-----DH--LGE
G
-
Y
V
S
F
-----
K
-------
L
D
K
I
E
E
----
Q
-IEG--KKGL
N
I
R
V
R
T
--
L
-------Y--DGIK--------
N
Y
---
K
VQF--P--------------------------
18
Fugue
93.41
26%
-59
- C8 -
3K0Y
2
?
A:
[10-228]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
I
W
-
I
---
A
----
V
A
-
T
---
V
V
P
E
G
N
-------------
N
V
Y
Y
-
L
R
L
D
D
G
D
K
L
W
P
A
A
T
---
N
Y
------
P
----
N
Y
Q
-
P
K
---
P
N
Q
R
A
L
--
V
N
F
T
I
L
---
A
D
--------------------
S
H
Y
I
K
V
N
---------
A
I
H
N
---
I
L
T
----
K
--
S
I
A
K
-
N
E
G
---
A
A
N
D
S
I
Y
G
-
T
D
-------
P
V
S
I
--
Y
---------
N
N-----------
N
M
-
W
I
G
D
G
--------------------
Y
L
N
I
Y
F
E
T
L
W
----
G
G
K
---------
T
A
H
F
I
N
--
L
I
--------------------------------
Q
P
D
----------
A
E
N
D
P
Y
T
L
------
E
-
F
R
H
N
-------
A
Y
D
D
P
------
Q
-----
Y
T
--
I
G
A
G
-
R
V
A
F
-----
N
-------
L
S
S
L
P
D
----
T
-
K
G
E
--
T
V
D
L
V
V
N
Y
W
T
----------
S
--
E
G
K
Q
--------
A
Y
---
K
L
K
Y
--
N
SDKTKMNITDMK--------------
2
PsiBlast_PDB
92.35
27%
-75
- C8 -
3K6O
4
?
A:
[14-206]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
V
T
-
I
---
A
----
M
A
-
T
V
E
K
Q
P
Q
Y
D
A
-------------
P
--
Y
-
L
V
L
D
N
G
E
K
L
W
-
V
V
Q
---
H
I
V
-----
P
----
Y
R
D
-
L
K
---
A
G
E
R
I
F
--
G
N
Y
S
F
L
---
E
A
G
E
S
G
--------------
F
-
A
Y
N
I
R
L
N
---------
D
Y
T
L
---
V
P
V
----
Q
--
K
I
I
G
-
L
N
----
P
D
N
M
D
S
I
G
-
N
M
-------
K
V
Q
I
--
K
---------
D
------------
M
--
W
P
S
D
D
--------------------
Y
L
N
V
R
F
M
L
--
N
F
--
P
S
P
---------
Q
K
P
I
L
N
--
L
V
V
N
----------------------------
E
M
I
P
W
----------
T
K
D
G
Y
A
H
L
------
E
-
L
R
Y
N
-------
N
-
N
G
S
------
Q
-----
G
R
--
L
V
P
G
-
M
V
S
F
-----
K
-------
L
D
D
Y
S
P
----
E
-
N
S
E
--
L
K
G
I
K
V
L
V
N
P
--
V
-------
D
--
G
E
E
K
--------
T
Y
---
I
F
S
Y
--
P
--------------------------
39
HHSearch
91.27
27%
-69
- C8 -
3K0Y
2
?
A:
[10-204]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
I
W
-
I
---
A
----
V
A
-
T
---
V
V
P
E
G
N
-------------
N
V
Y
Y
-
L
R
L
D
D
G
D
K
L
W
P
A
A
T
---
N
Y
P
----------
N
Y
Q
-
P
K
---
P
N
Q
R
A
L
--
V
N
F
T
I
L
---
A
D
S
--------------------
H
Y
I
K
V
N
---------
A
I
H
N
---
I
L
T
----
K
--
S
I
A
K
N
E
G
A
--
A
--
N
D
S
I
Y
G
-
T
D
-------
P
V
S
I
--
Y
---------
N
------------
N
N
M
W
I
G
--
D
-------------
G
-----
Y
L
N
I
Y
F
E
T
L
W
G
G
----
K
---------
T
A
H
F
I
N
--
L
I
Q
P
D
------------------------------------------
A
E
N
D
P
Y
T
L
------
E
-
F
R
H
N
-------
A
Y
D
D
P
------
Q
-----
Y
T
--
I
G
A
G
-
R
V
A
F
-----
N
-------
L
S
S
L
P
D
----
T
-
K
G
E
--
T
V
D
L
V
V
N
Y
W
T
----------
S
--
E
G
K
Q
--------
A
Y
---
K
L
K
Y
--
N
--------------------------
37
HHSearch
91.18
26%
-79
- C8 -
4J8Q
1
?
A:
[6-207]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
G
Y
S
L
G
--
D
I
A
-
V
---
D
----
W
A
-
T
---
V
R
V
V
G
G
-------------
D
T
Y
S
-
L
N
A
D
R
W
G
T
L
W
P
A
A
T
---
A
I
P
-----
F
-----
Y
K
-
P
I
---
D
G
Q
R
V
I
--
T
Y
F
N
P
L
---
Y
D
N
Y
E
G
--------------
Y
-
D
H
A
V
K
V
E
---------
H
N
Y
N
---
V
L
T
----
K
--
Q
V
E
D
-
L
T
A
--
E
--
N
E
S
E
F
G
-
N
D
-------
P
V
W
V
NK
D
---------
M
------------
M
--
W
I
G
--
G
-------------
G
-----
Y
L
N
V
I
F
R
Q
N
L
-----------------
K
H
L
V
S
--
L
V
R
D
M
R
A
-----
T
--------------------
A
A
E
G
----------
E
D
D
G
Y
I
H
L
------
E
-
L
R
Y
K
-------
T
Y
D
D
-----------------
Q
A
N
G
-
A
V
S
F
-----
N
-------
L
N
S
L
------
D
-
L
T
G
--
K
K
G
I
K
V
K
L
N
S
--
V
-------
K
--
D
G
E
T
--------
E
V
---
V
F
N
L
--
K
--------------------------
38
HHSearch
90.86
29%
-75
- C8 -
3K6O
4
?
A:
[14-206]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
V
T
-
I
---
A
----
M
A
-
T
---
V
E
K
Q
P
Q
Y------------
D
A
P
Y
-
L
V
L
D
N
G
E
K
L
W
V
V
Q
-----
H
I
-----
V
----
P
Y
R
D
L
K
---
A
G
E
R
I
F
G
N
Y
S
F
L
E
A
---
G
E
S
--
G
--------------
F
-
A
Y
N
I
R
L
N
---------
D
Y
T
L
---
V
P
V
----
Q
--
K
I
I
G
-
L
N
P
--
D
--
N
M
D
S
I
G
-
N
M
-------
K
V
Q
I
--
K
---------
D
------------
M
--
W
P
S
--
D
-------------
D
-----
Y
L
N
V
R
F
M
L
N
-
F
---
P
S
P
---------
Q
K
P
I
L
N
--
L
V
V
N
E
M
----------------------------
I
P
W
----------
T
K
D
G
Y
A
H
L
------
E
-
L
R
Y
N
-------
N
N
G
S
Q
------------
G
R
--
L
V
P
G
-
M
V
S
F
-----
K
-------
L
D
D
Y
S
P
----
E
-
N
S
E
--
L
K
G
I
K
V
L
V
N
P
--
V
-------
D
--
G
E
E
K
--------
T
Y
---
I
F
S
Y
--
P
--------------------------
1
PsiBlast_PDB
87.22
29%
-75
- C8 -
4J8Q
1
?
A:
[6-198]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
G
Y
S
L
--
G
D
I
-
A
V
D
W
A
----
T
V
-
R
---
V
V
G
G
D
T
---------------
Y
S
-
L
N
A
D
R
W
G
T
L
W
P
A
-
A
---
T
A
I
-----
P
----
F
Y
K
-
P
I
---
D
G
Q
R
V
I
--
T
Y
F
N
P
L
---
Y
D
N
Y
E
G
--------------
Y
-
D
H
A
V
K
V
E
---------
H
N
Y
N
---
V
L
T
----
K
--
Q
V
E
D
-
L
T
A
--
E
--
N
E
S
E
F
G
-
N
D
-------
P
V
------------------------------
W
V
N
K
D
M
-------------
M
W
I
G
GG
Y
L
N
V
I
F
R
Q
N
L
-----------------
K
H
L
V
S
--
L
V
R
D
M
R
A
------------
T
A
A
----------
E
G
E
-------------
D
D
G
Y
I
H
L
------
E
-
L
R
Y
K
-------
T
Y
D
D
-----------------
Q
A
N
G
-
A
V
S
F
-----
N
-------
L
N
S
L
D
-------
L
T
G
--
K
K
G
I
K
V
K
L
N
S
--
V
-------
K
--
D
G
------------------------------------------------
3
PsiBlast_PDB
78.53
28%
-44
- C8 -
3K0Y
2
?
A:
[10-178]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
I
W
-
I
---
A
----
V
A
-
T
---
V
V
P
E
G
N
-------------
N
V
Y
Y
-
L
R
L
D
D
G
D
K
L
W
P
A
A
T
---
N
Y
P
-----
N
----
Y
Q
P
-
K
P
---
N
-
Q
R
A
L
--
V
N
F
T
I
L
ADS-----------------------
H
Y
I
K
V
N
---------
A
I
H
N
---
I
L
T
----
K
--
S
I
A
K
-
N
E
G
--
A
A
N
-
D
S
I
Y
G
-
T
D
-------
P
V
S
I
Y
N
N
---------
N
------------
M
--
W
I
G
D
---------------
G
-----
Y
L
N
I
Y
F
E
--
T
L
W
--
G
G
K
---------
T
A
H
F
I
N
--
L
I
----
Q
-----
P
D
-------
A
----------
E
N
D
P
Y
----------
T
------
L
------
E
-
F
R
H
N
-------
A
Y
D
D
P
------
Q
-----
Y
T
--
I
G
A
G
-
R
V
A
F
-----
N
-------
L
S
S
L
P
D
------------------------------------------------------------------------------------
40
HHSearch
72.54
15%
-55
- C8 -
3QWN
-
?
A:
[7-210]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
P
--
S
V
K
-
L
---
E
----
F
V
-
T
---
V
K
A
G
T
D
-------------
G
S
I
Q
T
L
I
P
D
N
G
E
A
L
T
V
S
K
D
---
R
T
G
-----
S
----
A
I
S
-
P
N
---
T
S
R
R
V
M
--
S
N
Y
E
T
L
---
S
N
G
-----------------
H
-
T
A
T
A
V
I
Y
---------
S
L
Q
S
---
L
V
T
----
P
--
T
P
K
P
-
A
D
D
--
P
T
-
Y
R
D
G
L
K
-
H
D
-------
P
V
D
V
--
V
---------
S
------------
I
--
W
L
G
--
R
-------------
G
-----
Y
L
N
M
I
L
N
L
K
V
N
----
G
G
---------
K
Q
H
V
F
G
--
I
V
E
D
L
S
-----------------------------
E
F
----------
E
T
N
G
T
V
N
M
------
L
-
L
Y
H
D
-------
A
N
G
D
E
------
E
-----
Y
Y
--
N
R
R
A
-
Y
L
S
V
-----
P
-------
L
D
K
Y
A
D
----
A
-
E
N
P
G
Q
K
I
T
I
K
F
K
Y
Y
T
--
Y
-------
D
--
K
D
G
T
A
I
E
S
GKYC
N
P
---
G
F
E
Y
--
V
--------------------------
41
HHSearch
72.02
12%
-61
* C8 *
3NQI
4
?
A:
[9-242]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
--
Q
Q
W
-
A
---
G
----
V
V
-
K
---
V
N
D
R
M
G
-------------
Y
-
V
T
-
F
T
D
A
A
G
T
E
L
I
P
T
N
T
---
I
P
V
--------------
T
L
---
N
A
R
M
A
Y
--
I
Y
C
Q
V
D
---
E
G
Q
--------------------
K
S
I
K
I
T
---------
L
L
A
D
---
P
T
G
----
I
D
A
T
A
I
T
-
T
P
K
--
V
G
E
S
G
D
V
T
T
-
N
A
-------
P
V
G
S
--
L
S
F
V
S
GY
S
T
V
A
------------
P
--
F
Q
F
S
-
E
-------------
N
-----
T
I
V
L
P
V
L
Y
R
V
K
---
N
V
T
T
T
E
D
I
K
N
E
L
A
K
H
T
F
T
--
L
V
C
Y
T
D
----------------------------
D
I
K
----------
S
G
D
T
I
L
K
L
------
Y
-
L
R
Y
K
-------
V
E
D
E
P
------
A
A
I
A
E
R
A
T
--
R
T
S
S
-
F
K
A
Y
-----
E
-------
I
S
Q
I
L
R
E
Y
T
L
K
-
S
G
Q
TK
P
A
K
I
T
I
V
A
Q
Q
N
E
Y
NNKLEDT
S
--
T
I
E
K
--------
V
Y
---
E
I
E
Y
-----------------------------
25
Fugue
64.52
23%
-28
- C9 -
2XVO
1
CMR7B_SULSO
A:
[9-192]
----------------------------------------------------------------------------------------------------------------------------------------------------
S
Q
Q
V
E
W
-
V
F
I
P
V
I
K
D
V
T
Y
E
F
K
V
D
N
N
D
N
I
T
E
--
L
Y
V
-
N
G--
N
----
K
L
-
G
---
P
A
S
S
L
E
-------------
M
D
F
Y
-
F
D
V
D
------
V
S
N
N
---
Q
V
------------
R
K
-
F
N
---
N
---
V
F
--
V
L
F
G
V
I
---
A
T
K
D
S
N
--------------------------------
K
I
K
M
---
Q
L
T
----
L
--
N
P
C
------------------
D
-------
F
V
R
G
------------
F
------------
V
--
F
P
S
Q
D
P
-------------
S
-----
Q
L
N
N
I
F
A
S
N
N
K
V
--
S
V
S
---------
E
K
A
F
-----
A
I
L
N
R
K
-----
K
E
-----
G
A
V
----------
S
S
-----------------
T
I
N
V
------
Y
-
I
T
Q
N
-------
T
Y
T
G
N
------
T
-----------------------
K
-------
I
E
K
I
Q
Q
----
N
T
I
I
I
--
E
K
N
T
G
I
V
F
K
I
--
P
-------
N
--
D
M
L
N
--------
I
F
---
R
Y
S
T
--
T
--------------------------
26
Fugue
54.09
15%
20
* C7 *
3BOE
-
?
A:
[2-210]
----------------------------------------------------------------------------------------------------------------------------------------------------------------
I
S
P
A
Q
I
A
E
A
L
Q
G
R
G
W
D
A
E
--
I
V
T
-
D
---
A
----
S
M
A
G
---
Q
L
V
D
V
R
-------------
P
E
G
I
-
L
K
C
V
D
G
R
---
G
S
D
N
---
T
R
M
-----
G
----
G
P
K
-
M
P
---
G
G
I
Y
A
I
--
A
H
N
R
G
V
---
T
---
S
I
--------------
E
-
G
L
K
Q
I
T
K
---------
E
V
A
S
---
K
G
H
----
L
--
P
S
V
H
-
G
D
H
--
S
S
---------
D
-------
M
L
G
C
--
G
---------
F
------------
F
--
K
L
W
V
T
G
-------------
R
-----
F
D
D
M
G
Y
P
R
P
Q
F
D
--
A
D
Q
---------
G
A
N
A
V
K
--
D
A
G
G
I
I
E
-----
M
H
-----
H
G
S
----------
H
T
E
K
-------------
V
V
Y
I
N
L
------
L
-
A
N
K
T
-------
L
E
P
N
E
------
N
-----
D
Q
R
F
I
V
D
G
-
W
A
A
D
-----
K
-------
F
G
----------
L
D
V
--
P
K
F
L
I
A
A
A
A
T
--
V
-------
E
M
L
G
G
P
K
--------
N
A
---
K
I
V
V
--
P
--------------------------
31
SP3
49.31
12%
-10
- C7 -
1JS3
3
DDC_PIG
A:
[1-476]
MN
A
S
D
F
R
R
R
G
K
E
M
V
D
Y
M
A
D
Y
L
E
G
IEGRQVYPDVQPGYLRPLIPATAPQ
E
P
D
T
F
E
D
I
L
Q
D
V
E
K
IIMPGVTHWHSPYFFAY
F
P
T
A
S
S
Y
P
A
M
L
A
D
M
L
C
G
A
I
GCIGFSWAAS
P
A
C
T
E
L
E
T
V
M
M
D
W
L
G
K
M
L
QLPEAFLAGEAGE
G
G
G
V
I
Q
G
S
A
S
E
A
T
L
V
-
A
L
L
A
A
R
T
K
V
V
R
R
L
Q
A
A
S
P
G
L
T
Q
G
--
A
V
L
-
E
---
K
----
L
V
-
A
---
Y
A
S
D
Q
A
HS
S
V
E
R
A
G
L
I
G
G
V
K
L
K
A
-
I
P
S
D
G
K
F
A
M
R
A
S
A
L
---
Q
E
A
-----
L
----
E
R
D
-
K
A
---
A
G
L
I
P
F
--
F
V
V
A
T
L
---
G
T
T
S
C
C
SFDN
L
L
E
V
G
P
I
C
H
E
E
-
D
I
W
L
H
V
D
---------
A
A
Y
A
GSA
F
I
C
----
P
--
E
F
R
H
-
L
L
N
--
G
V
E
F
A
D
S
F
N
-
F
N
PHKWLLV
N
F
D
C
--
S
---------
A
------------
M
--
W
V
-
K
R
R
-------------
T
-----
D
L
T
G
A
F
K
S
G
L
----
I
T
D
---------
Y
R
H
W
Q
----
L
P
L
G
R
R
-----
F
R
-----
S
L
K
M
W
F
V
F
R
M
Y
G
V
K
G
L
Q
A
----------
Y
I
R
K
H
V
Q
L
S
H
E
F
E
A
F
-
V
L
Q
D
-------
P
R
F
E
V
------
C
-----
A
E
--
V
T
L
G
-
L
V
C
F
-----
R
L
KGS
D
G
L
N
E
A
L
L
E
----
R
-
I
N
S
--
A
R
K
I
H
L
-
V
P
C
--
R
-------
L
--
R
G
Q
F
--------
V
L
---
R
F
A
I
CS
R
KVE
S
G
H
V
R
L
A
W
E
H
I
R
G
L
A
A
E
L
L
A---
33
SP3
49.13
9%
-2
- C6 -
1I58
1
CHEA_THEMA
A:
[1-189]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
S
-------------
H
M
V
P
-
I
-----
S
F
V
F
N
R
F
P
---
R
M
V
-----
R
----
D
L
A
-
K
K
---
M
N
K
E
V
N
--
F
I
M
R
G
E
---
D
T
E
L
D
R
--------------
T
-
F
V
E
E
I
G
E
---------
P
L
L
H
---
L
L
R
----
N
--
A
I
D
H
-
G
I
E
--
P
K
E
E
R
I
A
K
G
-
K
P
-------
P
I
G
T
--
L
---------
I
------------
L
--
S
A
R
H
E
G
-------------
N
-----
N
V
V
I
E
V
E
D
D
G
R
G
--
I
-
D
---------
K
E
K
I
I
R
--
K
A
I
E
K
G
L
-----
I
D
-----
E
S
-----------
K
A
A
T
L
----------
S
D
Q
E
I
L
N
F
------
L
-
F
V
P
G
-------
F
S
T
K
E
------
K
-----
V
S
--
E
V
S
G
-
R
-
G
V
-----
G
-------
M
D
V
V
K
N
----
V
-
V
E
---
S
L
N
G
S
I
S
I
E
S
--
E
-------
K
--
D
K
G
T
--------
K
V
---
T
I
R
L
--
P
LT------------------------
27
SP3
49.00
12%
-5
* C12 *
1EYS
3
?
H:
[7-259]
---------------------------------------------------------------------------------------------------------------------------------------------HY
I
D
A
A
Q
I
T
I
W
A
F
-
W
L
F
F
F
G
L
I
I
Y
L
R
R
E
D
K
R
E
G
Y
P
L
D
--
S
P
D
-
L
------------------
P
D
P
-------------
K
T
F
V
-
L
P
H
N
G
G
T
V
V
A
P
R
V
E
---
A
P
V
-----
A
VNAT
P
F
S
-
P
A
---
P
G
S
P
L
V
--
P
N
G
D
P
M
---
L
S
G
F
G
P
--------------
A
-
A
S
P
D
R
P
K
---------
H
C
D
-----
L
T
FEGL
P
--
K
I
V
P
-
M
R
V
--
A
K
E
F
S
I
A
E
G
D
P
D
-------
P
R
G
M
--
T
---------
V
------------
V
----
G
L
D
G
-------------
E
-----
V
A
G
T
V
S
D
V
W
V
D
R
--
S
E
P
-----------
Q
I
R
Y
--
L
E
V
E
V
A
A
-----
N
K
KKVLL
P
I
G
----------
F
S
R
F
D
----------
K
K
A
R
K
V
K
V
------
D
A
I
K
A
A
-------
H
F
A
N
V
------
P
-----
T
L
--
S
N
P
D
-
Q
V
T
-----------------
L
Y
E
----
E
-
D
----------
K
V
C
A
--
Y
-------
Y
--
A
G
G
K
--------
L
Y
ATA
E
R
A
G
--
P
LL------------------------
24
Fugue
48.62
8%
-5
- C8 -
3NQI
4
?
A:
[9-246]
---------------------------------------------------------------------------------------------------------------------------------------------P
Q
Q
W
A
G
V
V
K
V
N
D
R
M
G
Y
V
T
F
T
D
A
A
G
T
E
L
I
P
T
N
T
I
P
V
T
L
--
N
A
R
M
A
---
Y
----
I
Y
-
C
---
Q
V
D
E
G
Q
-------------
K
S
I
K
-
I
T
L
L
A
D
P
T
G
I
D
A
T
A
---
I
T
T
-----
P
----
K
V
G
-
E
S
---
G
D
V
T
T
N
--
A
P
V
G
S
L
---
S
F
V
S
G
Y
--------------
S
-
T
V
A
P
F
Q
F
---------
S
E
N
T
---
I
V
L
----
P
--
V
L
Y
R
-
V
K
N
--
V
T
T
T
E
D
I
K
N
-
E
L
-------
A
K
H
T
--
F
---------
T
------------
L
--
V
C
Y
T
D
D
---------------------------
I
K
S
G
--
D
T
I
---------
L
K
L
Y
L
R
--
Y
K
V
E
D
E
P
-----
A
A
-----
I
A
E
----------
R
A
T
R
T
----------
S
S
F
K
A
Y
E
I
------
S
-
Q
I
L
R
-------
E
Y
T
L
K
------
S
-----
G
Q
--
T
K
P
A
-
K
I
T
I
-----
V
-------
A
Q
Q
N
E
Y
----
N
-
N
K
L
--
E
D
T
S
T
I
E
K
V
Y
--
E
-------
I
--
E
------------
Y
---
K
T
A
E
-----------------------------
15
PsiBlast_PDB
47.32
25%
27
- C4 -
1D2P
-
CNA_STAAU
A:
[636-737]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
D
N
N
N
Q
D
G
--
K
R
P
-
T
---
E
----
I
K
-
V
---
E
L
Y
Q
D
G
-------------
K
A
-------
T
G
K
T
A
I
L
N
E
S
---
N
N
W
T
H
T
W
T
G
----
L
D
E
-
K
A
---
K
G
Q
Q
V
K
--
Y
T
V
E
E
L
---
T
K
-
V
K
G
--------------
Y
-
T
T
H
V
D
N
N
---------
D
M
G
N
---
L
I
T
----
T
--
N
K
Y
T
-
P
E
T
--
T
S
S
I
G
E
K
V
W
-
D
D
-------
K
D
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
Fugue
45.72
19%
9
* C6 *
2B2A
-
TERT_TETTH
A:
[13-191]
-----------------------------------------------------------------------------------------------------------------------------------------------
M
L
T
R
K
E
D
L
L
T
V
-
L
K
Q
I
-------------------------------------
S
---
A
L
K
Y
V
S
-------------
N
L
Y
E
-
F
L
L
A
T
E
K
I
V
Q
T
S
E
L
---
D
-------------
T
Q
-
F
Q
---
E
F
L
T
T
T
--
I
I
A
S
E
----
Q
N
L
V
E
N
--------------
Y
-----
K
Q
M
---------
T
I
K
Q
---
V
I
D
----
D
--
S
I
I
L
-
L
G
N
--
K
Q
N
Y
V
Q
Q
I
G
-
T
T
-------
T
I
G
--------------------------
F
--
Y
V
E
Y
R
Q
-------------
T
-----
L
Y
S
S
N
F
R
N
L
L
N
I
F
G
E
E
D
---------
F
K
Y
F
L
I
D
F
L
V
F
T
K
V
E
-----
Q
N
-----
G
Y
L
----------
Q
V
A
G
V
----------
C
L
N
Q
Y
F
S
V
------
Q
-
V
K
Q
K
-------
K
W
Y
K
N
------
N
-------------------------------------------------------------------------------------------------------------------------
21
Fugue
43.68
11%
-16
- C8 -
2BHV
-
?
A:
[166-376]
---------------------------------------------------------------------------------------------------------------------------------------------------
N
K
L
L
R
T
I
-
T
A
D
K
M
I
P
A
F
L
I
T
P
I
S
S
Q
I
A
G
K
V
I
--
A
Q
V
-
E
---
S
----
D
I
-
F
----------------------------
A
H
M
G
K
A
V
L
I
P
K
G
S
---
K
V
I
-----
G
----
Y
Y
S
-
N
N
NKM
G
E
Y
R
L
D
--
I
V
W
S
R
I
---
I
T
P
--------------------------------------------
H
----
G
--
I
N
I
M
-
L
T
N
--
A
Y
N
G
L
V
G
E
L
-
I
E
-------
R
N
F
Q
--
R
---------
Y
------------------
G
V
P
-------------
L
-----
L
L
S
T
L
T
N
G
L
L
I
G
--
I
T
S
---------
A
F
---------
G
D
Y
L
-----
L
M
-----
Q
L
M
----------
R
Q
S
G
M
----------
G
I
N
Q
V
V
N
Q
------
I
-
L
R
D
K
-------
S
K
I
A
P
------
I
-----
V
V
--
I
R
E
G
S
R
V
F
I
-----
S
-------
P
N
T
-------
D
-
I
F
F
--
P
I
P
R
E
N
E
V
I
A
--
E
-------
F
--
L
K
------------------------------------------------
35
SP3
42.87
8%
3
- C9 -
1GVH
2
HMP_ECOLI
A:
[1-396]
--------------------------MLD
A
Q
T
I
A
T
V
K
A
T
I
P
L
L
V
E
T
G
P
K
L
T
A
H
F
Y
D
R
M
F
T
H
N
PELKEIFNMSNQRNG
D
Q
R
E
A
L
F
N
A
I
A
A
Y
A
S
N
IENLPAL
L
P
A
V
E
K
I
A
Q
K
H
T
S
F
QIK
P
E
Q
Y
N
I
V
G
E
H
L
L
A
T
L
D
E
M
FSPG
Q
E
V
L
D
A
W
G
K
A
Y
G
V
L
A
-
N
V
F
I
N
R
E
A
E
I
Y
N
E
N
A
S
K
A
G
G
W
E
G
T
R
D
F
R
-
I
---
V
----
A
K
-
T
---
P
R
S
A
L
I
-------------
T
S
F
E
-
L
E
P
V
D
G
G
A
V
A
E
Y
R
P
G
Q
Y
L
G
V
-----
W
----
L
K
P
-
E
G
---
F
P
H
Q
E
I
--
R
Q
Y
S
L
T
---
R
K
P
D
G
K
--------------
G
--
Y
R
I
A
V
K
REEGGQ
V
S
N
W
L
H
N
---
H
A
N
----
V
G-
D
V
V
K
-
L
V
A
PA
G
D
F
F
M
A
V
A
D
-
D
T
-------
P
V
T
L
--
I
---------
S
A
G
VGQ
T
P
M
L
A
M
L
D
--
T
L
A
K
A
G
-------------
H
-----
T
A
Q
V
N
W
F
H
A
A
E
N
--
G
D
V
HAF------
A
D
E
V
K
E
--
L
G
Q
S
L
P
R
F
T
A
H
T
W
Y
-----
R
Q
P
----------
S
E
A
D
R
----------
A
K
G
Q
F
D
S
E
------
G
-
L
M
D
L
-------
S
K
L
E
G
------
A
-----
F
S
--
D
P
T
M
-
Q
F
Y
L
C
G
P
V
G
F
-------
M
Q
F
T
A
K
----
Q
-
L
V
---
D
L
G
V
-------------------
K
Q
E
N
--------
I
H
---
Y
E
C
F
G-
P
HKVL----------------------
32
SP3
42.25
9%
9
- C8 -
1K32
-
TRI_THEAC
A:
[320-679]
--------------------------------------------------------------------------------------
S
I
PSKFA
E
D
F
S
P
L
D
GD
L
I
A
F
V
S
RG
Q
A
F
I
Q
D
VSGT
Y
V
L
K
VPEPLRIRYVRRGGDT
K
V
A
F
I
H
G
T
R
E
G
D
F
L
-
G
I
Y
D
Y
R
T
G
-
K
A
E
K
F
E
E
N
L
G
N
V
F
---
A
M
G
-
V
---
D
RNGK
F
A
-
V
---
V
A
N
D
R
F
-------------
E
I
M
T
-
V
D
L
E
T
G
K
P
T
V
I
E
R
S
---
R
E
A
-----
M
----
I
T
D
-
F
T
I
S
D
N
S
R
F
I
A
--
Y
G
F
P
L
K
---
H
G
E
T
D
G
--------------
Y
V
M
Q
A
I
H
V
Y
---------
D
M
E
------
G
----
R
--
K
I
F
A
-
A
T
T
--
E
N
S
H
D
Y
A
P
A
-
F
D
-------
A
-
D
S
--
K
---------
N
------------
L
--
Y
Y
L
S
Y
R
S
L
D
P
S
P
D
RVVL
N
F
S
-----
F
E
V
V
S
K
P
F
V
I
P
L
--
I
P
G
---------
S
P
N
P
T
K
--
L
V
P
R
S
M
T
-----
S
E
-----
A
G
E
----------
Y
D
L
N
D
MYKR
S
S
P
I
NV
D
P
G
D
Y
R
M
I
------
I
-
P
L
E
S
S
I
L
I
Y
S
V
P
V
H
G
E
FAAYYQ
G
-----
A
P
--
E
K
G
V
-
L
L
K
Y
-----
D
-------
V
K
T
R
K
V
----
T
-
E
V
K
--
N
N
L
T
D
L
R
L
S
A
-------------
D
R
-
K
--------
T
V
---
M
V
R
K
--
D
DG
K
I
Y
T
F
P
LEKPED
E
R
T
V
E
TDK
R
P
L
V
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)
MY
M
K
K
L
K
F
I
T
L
T
L
A
I
I
I
T
L
P
M
L
Q
S
C
LDDNDHQ
S
R
S
L
V
I
S
T
I
N
Q
ISEDS
K
E
F
Y
F
T
LDNG
K
T
MFPSNSQAWGGEKFENG
Q
R
A
F
V
I
F
N
E
LEQPVNG
Y
D
Y
N
I
Q
V
R
D
I
T
K
V
L
T
K
E
I
VTMDDEEN
T
E
E
KIGDDKI
N
A
T
Y
M
W
ISKD
K
K
Y
L
T
I
E
F
Q
Y
YSTHSE
D
K
K
H
F
L
N
L
V
INNKEADSAAENEDNTDD
E
Y
I
N
L
E
F
R
HNSERDSPDHLGE
G
Y
V
S
F
K
L
D
K
I
E
E
Q
IEGKKGL
N
I
R
V
R
T
L
YDGIK
N
Y
K
VQFP
67
99.49
100%
-68
- C- -
M067
-
A:
[29-247]
----------------------------
N
D
H
Q
S
R
S
L
V
I
S
T
I
N
Q
I
S
E
D
S
K
E
F
Y
F
T
L
D
N
G
K
T
M
F
P
S
N
S
Q
A
W
G
G
E
K
F
E
N
G
Q
R
A
F
V
I
F
N
E
L
E
Q
P
V
N
G
Y
D
Y
N
I
Q
V
R
D
I
T
K
V
L
T
K
E
I
V
T
M
D
D
E
E
N
T
E
E
K
I
G
D
D
K
I
N
A
T
Y
M
W
I
S
K
D
K
K
Y
L
T
I
E
F
Q
Y
Y
S
T
H
S
E
D
K
K
H
F
L
N
L
V
I
N
N
K
E
A
D
S
A
A
E
N
E
D
N
T
D
D
E
Y
I
N
L
E
F
R
H
N
S
E
R
D
S
P
D
H
L
G
E
G
Y
V
S
F
K
L
D
K
I
E
E
Q
I
E
G
K
K
G
L
N
I
R
V
R
T
L
Y
D
G
I
K
N
Y
K
V
Q
F
P
69
98.43
100%
-68
- C- -
M069
-
A:
[29-259]
----------------------------
N
D
H
Q
S
R
S
L
V
I
S
T
I
N
Q
I
S
E
D
S
K
E
F
Y
F
T
L
D
N
G
K
T
M
F
P
S
N
S
Q
A
W
G
G
E
K
F
E
N
G
Q
R
A
F
V
I
F
N
E
L
E
Q
P
V
N
G
Y
D
Y
N
I
Q
V
R
D
I
T
K
V
L
T
K
E
I
V
T
M
D
D
E
E
N
T
E
E
K
I
G
D
D
K
I
N
A
T
Y
M
W
I
S
K
D
K
K
Y
L
T
I
E
F
Q
Y
Y
S
T
H
S
E
D
K
K
H
F
L
N
L
V
I
N
N
K
E
A
D
S
A
A
E
N
E
D
N
T
D
D
E
Y
I
N
L
E
F
R
H
N
S
E
R
D
S
P
D
H
L
G
E
G
Y
V
S
F
K
L
D
K
I
E
E
Q
I
E
G
K
K
G
L
N
I
R
V
R
T
L
Y
D
G
I
K
N
Y
K
V
Q
F
P
79
98.21
100%
-77
- C- -
M079
-
A:
[29-284]
----------------------------
N
D
H
Q
S
R
S
L
V
I
S
T
I
N
Q
I
S
E
D
S
K
E
F
Y
F
T
L
D
N
G
K
T
M
F
P
S
N
S
Q
A
W
G
G
E
K
F
E
N
G
Q
R
A
F
V
I
F
N
E
L
E
Q
P
V
N
G
Y
D
Y
N
I
Q
V
R
D
I
T
K
V
L
T
K
E
I
V
T
M
D
D
E
E
N
T
E
E
K
I
G
D
D
K
I
N
A
T
Y
M
W
I
S
K
D
K
K
Y
L
T
I
E
F
Q
Y
Y
S
T
H
S
E
D
K
K
H
F
L
N
L
V
I
N
N
K
E
A
D
S
A
A
E
N
E
D
N
T
D
D
E
Y
I
N
L
E
F
R
H
N
S
E
R
D
S
P
D
H
L
G
E
G
Y
V
S
F
K
L
D
K
I
E
E
Q
I
E
G
K
K
G
L
N
I
R
V
R
T
L
Y
D
G
I
K
N
Y
K
V
Q
F
P
75
96.11
100%
-68
- C- -
M075
-
A:
[29-254]
----------------------------
N
D
H
Q
S
R
S
L
V
I
S
T
I
N
Q
I
S
E
D
S
K
E
F
Y
F
T
L
D
N
G
K
T
M
F
P
S
N
S
Q
A
W
G
G
E
K
F
E
N
G
Q
R
A
F
V
I
F
N
E
L
E
Q
P
V
N
G
Y
D
Y
N
I
Q
V
R
D
I
T
K
V
L
T
K
E
I
V
T
M
D
D
E
E
N
T
E
E
K
I
G
D
D
K
I
N
A
T
Y
M
W
I
S
K
D
K
K
Y
L
T
I
E
F
Q
Y
Y
S
T
H
S
E
D
K
K
H
F
L
N
L
V
I
N
N
K
E
A
D
S
A
A
E
N
E
D
N
T
D
D
E
Y
I
N
L
E
F
R
H
N
S
E
R
D
S
P
D
H
L
G
E
G
Y
V
S
F
K
L
D
K
I
E
E
Q
I
E
G
K
K
G
L
N
I
R
V
R
T
L
Y
D
G
I
K
N
Y
K
V
Q
F
P