@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 : T0774: (2014-05-12 )
MEVKSLLMVMATLTIAGCSQNEMTEMNPDTNRTIGLDVYTEVQTRGTETTTSTLKANAGFGIFAYQTSSAGWNSEKGNTTPNFMYNEHATWTSDSWGYTNLRFWPIDDKKITFFAYAPYESKPEVGTDQKITLSGQNAKGAPTITFEVKTSNNWKDMIDLVTDCHTAIQDQTNESNKGTVQFKFSHVLTQIANIKVKPDVNLGTDTKIFVTGLKLDPGSTTLYNKAVYKFDNDTWEAISPDASYFSTEQDLSDFLNKTTTDQWGYNKSSINVSDDQNATALFSDTEALYFIPVNNKNGTTNAGDLKLKINYDIVTKVTDTSNLTSTITNKEVSLPKNTFKKGTKHTYVLTIKMNAIKITVEDNMEGWTDDSDSDINVEK
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.......----------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------M
E
V
K
-----
S
L
L
M
V
M
---
A
T
L
T
IAGCSQNEMTEMNPDTN
R
T
I
G
L
-
D
V
--
Y
--
T
---
E
-----
V
Q-TR-GTET---
T
-
T
S
T
L
KANA--
G
F
G
I
F
-
A
Y
Q
TSSAGWNSE--------KGNTTPN
F
M
Y-NEHATWT----SDSW-GY--T
N
--
L
R
F
W
PIDD
K
K
I
T
F
F
A
YAPYESKPEVG-TD
Q
K
I
T
LSGQNAKG-A
P
T
I
-
T
F
E
V
KT-SN
N
W
---
K
-
D
M
I
D
L
V
T
D
C
H
T
A
I
Q-DQTNESNK
G
T
V
Q
F
K-
F
-
S
H
V
L
T
Q
-
I
AN
I
K
-
V
KPD---V-N----L-G-T-D
T
--
K
I
F
V
T
G
L
K
LDPGST
T
L
-
Y
N
K
A
V
Y
K
FDN-DT-WEAISPD-ASYFS
T
E
Q
D
L
S
-
D
F
L
NKTTTDQ--WGYNKSS-INVSDDQN
A
T
----
A
L
-FSD-T
E
A
L
Y
F
I
PVNNKNGT--TNA
G
-
D
L
K
L
K
----
I
N
Y
D
I
-
V
T
K
VTDTSNLTSTITNKEVS-LP----
K
---
N
--
T
FKKGT
K
H
T
Y
V
L
T
I
K
M
N
A
I
K
I
T
V
E-D-NMEGWTDDSDSDINVEK----------
26
HHSearch
84.92
16%
-59
- C1 -
4K4K
-
?
A:
[8-270]
----------------------------------------
P
T
D
G
R
V
A
L
E
A
-
T
S
--
G
---------------------------
D
K
T
W
E
A
G
D
--
A
I
G
I
Y
-
M
L
N
G
D
A
T
-------------------
D
G
N
G
-
N
R
K
Y
T
T
A
QTAE
N
G
S
F
-
T
A
A
E
G
Q
--
T
I
Y
F
P
V
D
A
S
Q
R
D
F
V
A
Y
Y
P
Y
R
E
T
L
A
---------------
D
G
--
N
V
Y
-
T
V
D
V
S
--
V
Q
T
P
---
Q
-
K
D
I
D
L
M
G
A
A
K
V
E
G
K
-----
D
K
T
D
P
K
V
A
F
V
-
F
-
T
H
K
L
V
K
-
L
D
I
T
I
K
A
D
G
T
---
S
-
L
----
T
D
A
-
D
-
L
A
G
T
T
V
S
I
S
N
---------
Q
-
Q
T
A
A
T
Y
N
V
V
T
-
G
G
D
A
T
V
T
T
G
T
--
T
K
E
I
V
--
L
-------------------------------------
H
T
-
D
G
L
-
K
A
E
G
I
V
L
P
A
A
S
T
--------
A
-
G
M
A
L
T
----
F
T
V
P
-----
G
L
E
-------
G
Q
A
F
H
W
D
-
V
N
SAAQ
S
---
K
--
A
F
V
A
G
S
K
Y
L
Y
T
I
T
I
S
K
A
G
V
E
V
--
S
-
S
-
K
V
E
D
W
T
---------------------
11
Fugue
81.99
18%
-17
* C1 *
4K4K
-
?
A:
[7-270]
----------------------------------------
Q
P
T
D
G
R
V
------------------------
A
L
-
E
A
T
S
---
G
-
D
K
T
W
E
A
G
D
--
A
I
G
I
Y
M
L
N
G
D
A
T
D
G
N
G
N
R
--------
K
Y
T
T
A
Q
T
----
A
E
N
G
S
F
T
----
A
A
E
------
G
Q
--
T
I
Y
F
P
V
D
A
S
Q
R
D
F
V
A
Y
Y
P
Y
R
E
T
L
A
D
G
-
N
V
Y
T
V
D
V
S
V
Q
T
P
Q
K
-
D
I
D
L
M
G
A
A
K
V
E
-
G
K
D
--------------------------
K
T
D
P
K
V
A
F
V
-
F
-
T
H
K
L
V
K
-
L
-
D
I
T
-
I
K
A
D
---
G
-
T
----
S
-
L
-
T
-
D
A
--
D
L
A
G
T
T
V
S
I
S
N
----
Q
-
Q
T
A
A
T
Y
N
V
V
T
-
G
-------------------------------------
G
D
A
T
-
V
T
T
G
T
T
K
E
I
V
----
L
H
-
T
D
G
-
L
K
A
E
G
I
V
L
----
P
A
A
--
S
T
A
G
M
A
L
T
F
T
----
V
-------
P
G
L
E
G
Q
A
F
H
W
D
V
N
S
A
A
----
Q
----
S
---
K
--
A
F
V
A
G
S
K
Y
L
Y
T
I
T
I
S
K
A
--
G
V
E
V
S
-
S
-
K
V
E
D
W
T
---------------------
24
HHSearch
80.07
18%
-73
- C1 -
3T2L
3
?
A:
[17-297]
-------------------------------------------
L
R
V
P
L
Q
V
-
S
S
--
A
--
V
I
K
Q
E
-----
V
V
-
T
R
L
A
P
-----
D
-
P
V
P
L
T
E
G
---
A
I
G
I
F
-
L
S
G
T
E
P
E
--------------
D
S
G
Y
-
K
V
I
D
-
N
R
K
Y
V
Y
S
----
E
G
H
W
-
G
P
--
P
T
AN
D
T
I
Y
L
V
-
G
N
D
A
D
V
C
A
Y
Y
P
Y
K
D
S
Y
----------------
T
D
-
K
T
V
I
-
P
L
Q
S
Q
----
D
Y
---
V
-
E
T
E
D
I
Y
Y
A
L
N
T
M
I
------
N
G
F
T
P
A
I
T
F
D
-
M
-
V
H
A
Y
S
L
-
V
E
L
K
I
-
S
R
E
N
---
Y
-
F
----
M
---------
P
C
E
I
S
K
I
T
L
K
N
--
S
N
L
-
I
K
K
G
T
I
N
I
A
V
D
G
S
-
I
H
S
S
E
T
--
G
N
Y
D
L
--
T
T
V
-----
T
D
-----------
A
S
P
-
H
T
L
--
S
V
--------
G
-
E
S
Y
-
V
C
R
V
L
M
I
P
V
P
L
K
I
E
R
TD
A
E
G
G
-
E
F
G
L
S
----
V
S
L
V
I
----
D
G
---------
Q
Q
M
L
V
E
-
I
P
----
Y
SEL
G
--
E
F
R
Q
G
E
K
Y
V
I
G
L
K
I
K
G
T
E
I
V
--
P
T
-
V
-
K
A
L
E
W
E
D
E
-------------------
25
HHSearch
75.29
15%
-41
- C1 -
3SY6
2
?
A:
[8-279]
------------------------------------------
S
G
E
K
T
L
A
V
V
S
A
--
S
--
S
---
D
DR---
P
S
-
T
R
-
G
I
I
---------
N
D
N
T
Y
--
A
L
G
V
F
-
R
T
T
A
N
T
------------------
Y
A
-
P
L
Y
-
N
V
K
H
I
Y
S
----
G
G
E
W
-
G
A
--
D
D
--
V
I
K
V
D
Y
--
R
N
A
S
F
F
A
Y
Y
P
Y
H
T
A
T
G
N
Y
-----
A
-----
G
L
A
G
-
G
T
T
L
-
T
L
Q
A
Q
----
L
F
---
N
-
A
G
E
D
I
C
Y
G
A
G
E
A
S
G
-
G
G
P
V
S
V
Y
N
P
F
V
E
F
L
N
M
-
K
H
A
Y
A
R
-
L
R
L
T
L
-
T
R
G
E
---
K
-
F
DKTK
K
-
C
-
N
-
I
Q
--
N
I
-----
T
F
K
S
N
N
A
N
F
-
Y
L
T
R
S
L
D
I
A
S
-
T
A
-
G
A
T
G
G
S
A
V
A
A
G
Y
V
H
N
-------
P
N
----------------
V
N
I
A
T
----------
G
-
K
S
V
-
T
Y
E
Y
M
F
P
P
Q
P
L
D
G
S
----------
K
L
T
----
I
L
V
T
V
-
D
---
G
---------
V
T
R
S
C
D
-
I
S
TL--
G
---
S
--
S
L
D
S
G
K
Y
Y
G
V
S
L
T
F
T
D
V
G
I
I
L
S
S
A
V
V
-
T
V
N
N
F
----------------------
17
Fugue
72.56
17%
-7
- C1 -
2VDU
-
TRM82_YEAST
B:
[2-436]
SVIHPL
Q
N
L
L
T
S
RDG
S
L
V
F
A
I
I
KN
C
I
L
S
F
K
Y
Q
S
P
N
H
W
E
F
A
G
K
W
S
D
D
F
P
I
Y
-
S
Y
--
I
--
R
---
N
-----
L
R
L
T
S
-
D
E
S
R
---
L
-
I
A
C
A
D
S
D
K
--
S
L
L
V
F
-
D
V
D
K
T
S
K
N
V
------------
L
K
L
R
K
R
F
C
F
-
S
K
R
P
N
A
I
----
S
I
A
E
---------------
D
D
T
T
V
I
I
A
D
K
F
G
D
V
Y
S
I
D
I
N
-
S
I
P
E
E
K
F
T
Q
E
P
I
L
G
-
H
V
S
M
-
L
T
D
V
H
L
-
I
K
D
S
---
D
G
H
Q
F
I
I
T
S
D
R
D
E
H
I
K
-
I
S
H
Y
P
Q
C
F
I
V
D
K
W
L
-
F
-
G
H
K
-
H
F
-
V
S
S
I
C
-
C
G
K
D
Y
L
L
L
-
S
----
A
-
G
-
G
-
D
D
--
K
I
F
A
W
D
W
K
T
G
K
N
L
S
T
F
D
Y
N
S
L
I
K
P
Y
L
N
-
D
Q
-
H
L
A
I
I
E
F
-
A
---------------------------
V
S
K
-
I
I
K
S
K
N
L
P
F
V
----
A
F
-
F
V
E
A
T
K
C
I
I
I
L
E
M
S
E
K
Q
------
K
G
-
D
L
A
L
K
Q
I
I
T
F
P
Y
N
V
-
I
S
L
S
A
H
N
D
E
F
Q
V
T
L
D
N
K
E
S
S
G
V
Q
----
K
---
N
FA
K
F
I
E
Y
N
L
N
E
N
S
F
V
V
N
N
E
K
S
N
E
F
D
S
-
A
-
I
I
Q
S
V
Q
G
D
S
N
L
V
T
K
K
E
E
IYPLYNVSSL
10
Fugue
64.57
16%
-34
- C1 -
3T2L
3
?
A:
[17-297]
--------
L
R
-----
V
P
L
Q
V
S
---
S
A
V
I
K
Q
E
V
V
T
R
L
A
P
D
P
V
P
L
T
E
G
A
I
G
I
-
F
L
--
S
--
G
---
T
-----
E
P
-
E
D
-
S
G
Y
K
---
V
-
I
D
N
R
K
Y
V
Y
--
S
E
G
H
W
-
G
P
P
T
A
N
D
--------------------------------------------------
T
I
Y
L
V
G
N
D
A
D
V
C
A
Y
Y
P
Y
--
K
D
S
Y
T
-
D
K
T
V
I
P
L
Q
S
Q
D
Y
V
E
-
T
E
D
I
-
Y
Y
A
L
N
T
M
I
N
G
---------------------------
F
T
P
A
I
T
F
D
M
V
-
H
----
A
-
Y
S
L
V
E
-
L
K
I
S
---
R
-
E
----
N
-
Y
-
F
M
P
C
--
E
I
S
K
I
T
L
K
N
----
S
N
L
-
I
K
K
G
T
I
N
I
A
V
-
D
G
------------
S
I
H
S
S
E
T
G
-
N
Y
D
L
T
T
V
T
D
A
-----
S
P
H
T
-
L
S
V
G
E
S
Y
V
C
R
----
V
L
M
I
P
V
-
P
L
K
I
E
R
T
D
---
A
E
G
G
--
E
F
G
L
-
S
V
S
L
V
----
I
D
G
Q
Q
M
L
V
E
I
P
Y
S
E
L
----------------------
G
--
E
F
R
Q
G
E
K
Y
V
I
G
L
K
I
K
G
T
E
I
V
P
T
---
V
-
K
A
L
E
W
E
D
E
-------------------
8
Fugue
63.90
12%
-22
- C1 -
3SY6
2
?
A:
[8-279]
---------------------------------------
S
G
E
K
T
L
A
V
V
S
A
-
S
S
--
D
--
D
---
R
-----
P
S
-
T
R
-
G
I
---------
I
N
D
N
T
Y
--
A
L
G
V
F
-
R
T
T
A
N
T
Y
A
---------------------
P
-
L
Y
N
V
K
H
I
----
Y
S
G
G
-
E
W
--
G
A
--
D
D
V
I
K
V
D
Y
R
N
A
S
F
F
A
Y
Y
P
Y
H
T
A
------------
T
G
N
Y
A
G
L
-
A
G
G
T
-
T
L
T
L
Q
A
-
Q
L
F
N
---
A
-
G
E
-
D
I
C
Y
G
A
G
E
A
S
G
-
G
G
P
V
S
V
Y
N
P
F
V
E
F
L
-
N
M
K
H
A
Y
A
R
-
L
-
R
L
T
-
L
T
R
G
---
E
-
K
----
F
-
D
-
K
-
T
K
--
K
C
N
I
Q
N
I
T
F
K
S
N
N
A
N
F
-
Y
L
T
R
S
L
D
I
A
S
-
T
A
-
G
A
T
-------------------
G
G
S
A
V
A
A
G
--
Y
V
H
N
P
N
V
-
N
I
A
T
G
K
S
V
T
Y
----
E
Y
M
F
---------
P
P
Q
P
L
D
G
S
--------
K
L
T
I
L
----
V
T
V
D
-------------
G
V
T
R
S
C
D
I
S
-
T
L
----
G
---
S
--
S
L
D
S
G
K
Y
Y
G
V
S
L
T
F
T
D
V
G
I
I
L
S
S
A
-
V
V
T
V
N
N
F
----------------------
28
HHSearch
58.45
21%
-69
- C1 -
4EPS
10
?
A:
[8-169]
----------------------------------------
N
V
R
N
G
I
V
L
N
V
-
T
D
TG
I
IS
N
----------------
E
D
T
---
G
F
V
T
T
F
T
Q
G
D
--
Q
I
G
L
F
-
A
V
K
D
G
A
------------------
I
L
D
E
I
N
-
N
M
P
F
T
F
N
----
G
S
S
W
-
S
---
G
K
--
P
I
L
Y
D
D
R
L
V
G
V
N
F
Y
A
Y
Y
P
Y
Q
S
E
M
T
G
K
-
T
------
D
L
I
G
D
D
F
F
A
P
L
A
A
G
W
E
L
T
T
-
E
Q
S
D
Q
K
A
Y
-
A
K
Q
D
L
M
T
S
N
A
T
A
L
I
-
G
---
E
N
G
N
Y
S
L
S
F
Q
-
L
-
T
H
R
M
S
L
-
V
V
V
K
L
-
P
S
T
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
Fugue
54.46
14%
-4
- C1 -
4H40
-
?
A:
[13-324]
---------
R
-----
V
R
I
D
P
V
---
A
G
G
Y
Y
P
S
I
S
P
S
R
G
A
T
P
D
G
E
T
L
K
------------------------------
D
R
---
P
-
I
F
L
L
E
D
G
S
--
T
I
R
L
V
-
V
Y
D
------
D
A
K
--------
N
L
L
E
E
Y
S
K
A
Y
-
L
V
R
N
A
G
T
----
S
----
G
S
--
S
L
--
L
Y
P
C
E
V
D
D
N
-----
G
A
V
I
S
S
S
S
T
P
L
Y
M
K
A
G
T
Y
Y
F
R
I
L
S
P
A
K
-
A
L
N
S
-
K
G
F
V
N
I
-
G
N
G
------
E
Y
L
L
A
T
D
D
R
Y
T
Q
T
A
M
T
A
V
T
I
T
N
V
Q
T
L
Y
L
P
P
I
-
I
N
Q
T
A
R
M
Q
F
T
V
R
-
A
G
E
G
---
V
H
T
----
L
-
E
M
L
-
A
E
--
G
I
E
I
S
G
I
Q
Q
P
L
D
N
T
T
S
-
F
D
------------
W
V
N
G
D
V
L
-
P
V
K
V
G
-
D
Q
S
A
S
-
V
R
I
T
Q
A
T
R
N
A
--
D
N
S
L
V
A
H
-
T
G
V
------------------------
L
P
---------
T
D
A
R
-
S
H
S
I
S
----
V
L
L
N
L
-
K
V
N
G
N
P
T
Q
Y
Q
---------
L
-
L
T
----
G
---
L
--
Y
L
T
A
G
H
S
Y
N
Y
T
A
T
V
K
I
S
N
G
V
T
V
L
T
-
W
-
Q
N
R
S
W
T
E
N
V
V
-----------------
1
PsiBlast_PDB
48.02
27%
-43
- C1 -
4K4K
-
?
A:
[76-151]
------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
F
P
V
D
A
S
Q
R
D
F
V
A
Y
Y
P
Y
R
E
-----------
T
L
A
D
G
N
------
V
Y
-
T
V
D
V
S
V
-
Q
T
P
Q
---
K
-
D
-
I
D
L
M
G
A
A
K
V
E
G
K
-
D
K
T
D
P
K
----
V
A
F
V
-
F
-
T
H
K
L
V
K
-
L
-
D
I
T
-
I
K
A
D
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
Fugue
45.91
12%
21
- C2 -
1D3V
1
ARGI1_RAT
A:
[6-313]
------------------------
K
P
I
E
I
I
G
A
P
F
S
K
G
Q
-------------------------------
P
-
R
G
-
G
V
E
K
---
G
-
P
A
A
L
R
K
A
G
------
L
-
V
E
K
L
K
E
T
E
Y
N
V
R
--------
D
H
G
D
L
A
F
V
D
V
-
P
N
--
D
S
P
----
F
Q
I
V
-----
K
N
--
P
R
S
V
G
K
A
N
E
Q
L
A
A
V
V
A
E
T
Q
K
N
G
T
------
I
S
V
V
L
G
G
D
H
S
M
A
-
I
G
S
I
-
S
G
H
A
R
V
-
H
P
D
-------
L
C
V
I
W
V
D
A
H
T
D
I
N
-
T
P
L
T
T
S
S
G
N
L
H
G
Q
P
-
V
-
A
F
L
L
K
E
-
L
K
G
K
F
-
P
D
-
V
---
P
-
G
----
F
-
S
-
W
-
V
T
--
P
C
I
S
A
K
D
I
V
Y
I
G
L
R
D
V
-
D
P
G
E
H
Y
I
I
K
T
-
L
G
-
I
K
Y
F
S
----
M
T
E
V
D
K
L
G
I
G
-
K
V
M
E
E
T
F
S
Y
L
--
L
G
R
K
K
R
P
-
I
H
L
S
F
D
V
D
G
--------
L
D
P
-
V
F
T
-------
P
A
T
G
T
--
P
V
V
G
-
G
L
S
Y
R
----
E
G
L
Y
I
-
T
E
E
I
Y
K
T
G
L
L
S
G
L
D
I
M
-
E
V
N
-
P
T
----
L
---
G
--
K
T
P
E
E
V
T
R
T
V
N
T
A
V
A
L
T
L
S
C
F
--------------
G
T
K
R
E
G
N
H
K
----------
13
Fugue
45.73
8%
12
- C2 -
2CU2
-
?
A:
[1-335]
------
M
K
T
Y
-----
A
L
V
M
-------------
A
G
G
R
G
E
R
L
W
P
-
L
S
R
E
D
R
P
-
K
P
--
F
--
L
---
P
-----
L
F
-
E
G
-
K
T
-----------------------
L
L
E
A
T
L
E
R
L
A
P
L
--------
V
P
P
E
R
T
L
L
A
V
R
R
D
Q
E
A
V
A
----
R
P
Y
A
-
D
G
--
I
R
--
L
L
L
E
P
L
G
R
D
T
A
G
A
V
L
L
G
V
A
E
A
L
K
E
-
G
-
A
E
R
L
L
V
L
P
A
D
H
-----------
Y
V
G
D
-
D
E
A
Y
---
R
-
E
A
L
A
T
M
L
E
A
--------
A
E
E
G
F
V
V
A
L
G
L
R
-
P
-
T
R
P
E
T
E
-
Y
G
Y
I
R
-
L
G
P
R
---
E
-
G
----
A
-
W
-
Y
-
R
G
--
E
G
F
V
E
K
P
S
Y
A
E
A
L
E
Y
I
-
R
K
G
Y
V
W
N
G
G
V
-
F
A
-
F
A
P
A
T
M
A
-
E
L
F
R
R
H
L
P
S
H
H
-
E
A
L
E
R
L
L
A
G
A
---
S
L
E
E
V
Y
-
A
G
L
P
K
I
S
I
D
Y
----
G
V
-
M
E
K
-
A
E
R
V
R
V
V
L
G
R
-------
F
P
W
D
-
D
V
G
-------
N
W
R
A
-
L
E
R
V
F
S
Q
D
P
H
E
N
V
V
L
G
E
G
R
H
-
V
A
LDT-
F
---
G
--
C
V
V
Y
A
D
R
G
V
V
A
T
L
G
V
S
G
L
V
V
A
K
V
G
-
D
-
E
V
L
V
V
P
K
D
W
A
R
E
V
R
E
V
V
K
R
L
E
A-----
29
HHSearch
42.68
12%
-50
- C1 -
4DGU
-
?
A:
[12-173]
-----------------------------------------------
T
N
F
-
S
I
--
S
--
I
---
D
D
A
L
S
D
P
L
-
T
R
-
T
S
N
D
L
F
P
A
-
R
N
S
I
T
T
G
E
--
V
I
S
M
A
-
A
--
S
G
Q
-----------------------
D
-
Y
T
P
F
I
V
-----
G
--
K
-
D
S
--
R
A
--
W
N
E
I
G
T
A
T
G
T
V
T
F
Y
A
H
Y
P
A
L
T
D
E
A
A
------------
T
------
N
K
-
R
Y
-
L
K
---------
G
--
G
Q
E
H
L
F
G
T
A
E
-----
A
--
A
P
G
S
Q
N
V
S
L
K
-
F
-
K
R
M
T
V
P
-
V
I
I
L
D
-
E
N
D
R
---
P
-
Y
----
E
-----
G
E
--
A
K
V
E
L
S
L
K
----------
N
E
G
T
Q
D
L
L
N
-
G
T
-
I
E
I
N
E
N
A
-
L
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
HHSearch
28.80
8%
-14
- C1 -
4H40
-
?
A:
[52-209]
---------------------------------------------------------------------------------------
E
D
G
S
--
T
I
R
L
V
-
V
Y
D
D
A
K
N
L
L
E
E
Y
S
K
A
Y
L
V
R
N
A
G
T
S
G
S
S
L
L
Y
-
P
C
E
V
D
D
N
----
G
A
V
I
S
S
S
--
S
T
--
P
L
Y
M
K
A
--
G
T
Y
Y
F
R
I
L
S
P
A
K
A
L
N
S
K
G
----
F
----
V
N
I
G
N
G
-
E
Y
L
L
-
A
------
T
D
D
R
---
Y
-
T
Q
T
A
-
M
T
A
V
T
I
T
---------
N
V
Q
T
L
Y
L
P
P
I
-
I
N
Q
T
A
R
-
M
Q
F
T
V
-
R
A
G
E
---
G
-
V
----
H
-
T
----
L
--
E
M
L
A
E
G
I
E
I
S
G
I
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
SP3
23.11
3%
35
- C1 -
1JMX
1
?
A:
[364-494]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
V
E
E
V
K
V
V
P
A
F
S
I
A
-
R
I
G
E
----
N
G
-
A
S
-
V
P
K
V
Q
G
R
-
F
E
A
E
A
W
G
K
D
A
N
G
Q
P
L
R
I
G
Y
L
P
A
S
W
K
V
E
P
F
N
E
-
R
A
V
E
D
E
D
V
K
F
----
A
G
-
K
M
Q
-
A
D
G
-
V
F
V
P
G
G
A
G
P
N
P
--
E
R
K
M
-
M
T
N
N
A
----
G
N
L
K
V
-
I
A
T
L
A
D
G
G
Q
----
T
G
E
G
H
M
I
-
V
T
----
V
---
Q
--
R
W
N
N
P
P
L
P
----------------------------------------------
4
PsiBlast_PDB
22.90
39%
79
- C3 -
4IN9
2
?
A:
[9-62]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
K
T
T
L
K
Y
--
Y
I
Y
N
----
L
T
T
T
E
R
E
N
A
I
R
S
A
F
A
L
-
W
S
D
-
K
S
T
L
S
F
I
Q
V
Y
N
P
------
N
Q
A
-
D
I
K
I
K
--------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
21.95
39%
87
* C3 *
2XS4
-
?
A:
[9-62]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
K
T
T
L
K
Y
--
Y
I
Y
N
S
S
S
H
L
T
T
T
E
R
E
N
A
I
R
S
A
F
A
L
-
W
S
D
-
K
S
T
L
S
F
I
Q
V
Y
N
P
------
N
Q
A
-
D
I
K
I
K
--------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
21.92
39%
87
- C3 -
2XS3
-
?
A:
[9-62]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
K
T
T
L
K
Y
--
Y
I
Y
N
S
S
S
H
L
T
T
T
E
R
E
N
A
I
R
S
A
F
A
L
-
W
S
D
-
K
S
T
L
S
F
I
Q
V
Y
N
P
------
N
Q
A
-
D
I
K
I
K
--------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
18.28
30%
105
- C4 -
1ND3
-
?
B:
[17-79]
-----------------------------------------------------------------------
T
R
-
G
D
S
T
---
I
-
T
S
Q
D
V
A
N
A
V
V
G
Y
G
V
W
-
P
H
Y
L
T
P
Q
D
A
T
A
I
--------
D
K
P
T
Q
P
D
T
S
S
-
N
R
F
Y
T
L
D
----
S
K
M
W
-
N
S
--
T
S
--
K
G
W
W
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
Fugue
18.13
29%
68
* C2 *
2K6R
-
?
A:
[1-29]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
-
Q
Q
-
Y
T
A
I
K
G
R
-
T
--
F
R
N
E
K
E
L
R
-
D
F
I
E
K
F
G
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------
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.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
E
V
K
S
L
L
M
V
M
A
T
L
T
IAGCSQNEMTEMNPDTN
R
T
I
G
L
D
V
Y
T
E
V
QTRGTET
T
T
S
T
L
KANA
G
F
G
I
F
A
Y
Q
TSSAGWNSEKGNTTPN
F
M
YNEHATWTSDSWGYT
N
L
R
F
W
PIDD
K
K
I
T
F
F
A
YAPYESKPEVGTD
Q
K
I
T
LSGQNAKGA
P
T
I
T
F
E
V
KTSN
N
W
K
D
M
I
D
L
V
T
D
C
H
T
A
I
QDQTNESNK
G
T
V
Q
F
K
F
S
H
V
L
T
Q
I
AN
I
K
V
KPDVNLGTD
T
K
I
F
V
T
G
L
K
LDPGST
T
L
Y
N
K
A
V
Y
K
FDNDTWEAISPDASYFS
T
E
Q
D
L
S
D
F
L
NKTTTDQWGYNKSSINVSDDQN
A
T
A
L
FSDT
E
A
L
Y
F
I
PVNNKNGTTNA
G
D
L
K
L
K
I
N
Y
D
I
V
T
K
VTDTSNLTSTITNKEVSLP
K
N
T
FKKGT
K
H
T
Y
V
L
T
I
K
M
N
A
I
K
I
T
V
EDNMEGWTDDSDSDINVEK
63
95.60
100%
-43
- C- -
M063
-
A:
[27-400]
--------------------------
N
P
D
T
N
R
T
I
G
L
D
V
Y
T
E
V
Q
T
R
G
T
E
T
T
T
S
T
L
K
A
N
A
G
F
G
I
F
A
Y
Q
T
S
S
A
G
W
N
S
E
K
G
N
T
T
P
N
F
M
Y
N
E
H
A
T
W
T
S
D
S
W
G
Y
T
N
L
R
F
W
P
I
D
D
K
K
I
T
F
F
A
Y
A
P
Y
E
S
K
P
E
V
G
T
D
Q
K
I
T
L
S
G
Q
N
A
K
G
A
P
T
I
T
F
E
V
K
T
S
N
N
W
K
D
M
I
D
L
V
T
D
C
H
T
A
I
Q
D
Q
T
N
E
S
N
K
G
T
V
Q
F
K
F
S
H
V
L
T
Q
I
A
N
I
K
V
K
P
D
V
N
L
G
T
D
T
K
I
F
V
T
G
L
K
L
D
P
G
S
T
T
L
Y
N
K
A
V
Y
K
F
D
N
D
T
W
E
A
I
S
P
D
A
S
Y
F
S
T
E
Q
D
L
S
D
F
L
N
K
--------
N
K
S
S
I
N
V
S
D
D
Q
N
A
T
A
L
F
S
D
T
E
A
L
Y
F
I
P
V
N
N
K
N
G
T
T
N
A
G
D
L
K
L
K
I
N
Y
D
I
V
T
K
V
T
D
T
S
N
L
T
S
T
I
T
N
K
E
V
S
L
P
K
N
T
F
K
K
G
T
K
H
T
Y
V
L
T
I
K
M
N
A
I
K
I
T
V
E
D
N
M
E
G
W
T
D
D
---------
69
90.67
100%
-44
- C- -
M069
-
A:
[27-407]
--------------------------
N
P
D
T
N
R
T
I
G
L
D
V
Y
T
E
V
Q
T
R
G
T
E
T
T
T
S
T
L
K
A
N
A
G
F
G
I
F
A
Y
Q
T
S
S
A
G
W
N
S
E
K
G
N
T
T
P
N
F
M
Y
N
E
H
A
T
W
T
S
D
S
W
G
Y
T
N
L
R
F
W
P
I
D
D
K
K
I
T
F
F
A
Y
A
P
Y
E
S
K
P
E
V
G
T
D
Q
K
I
T
L
S
G
Q
N
A
K
G
A
P
T
I
T
F
E
V
K
T
S
N
N
W
K
D
M
I
D
L
V
T
D
C
H
T
A
I
Q
D
Q
T
N
E
S
N
K
G
T
V
Q
F
K
F
S
H
V
L
T
Q
I
A
N
I
K
V
K
P
D
V
N
L
G
T
D
T
K
I
F
V
T
G
L
K
L
D
P
G
S
T
T
L
Y
N
K
A
V
Y
K
F
D
N
D
T
W
E
A
I
S
P
D
A
S
Y
F
S
T
E
Q
D
L
S
D
F
L
N
K
---------
K
S
S
I
N
V
S
D
D
Q
N
A
T
A
L
F
S
D
T
E
A
L
Y
F
I
P
V
N
N
K
N
G
T
T
N
A
G
D
L
K
L
K
I
N
Y
D
I
V
T
K
V
T
D
-------
I
T
N
K
E
V
S
L
P
K
N
T
F
K
K
G
T
K
H
T
Y
V
L
T
I
K
M
N
A
I
K
I
T
V
E
D
N
M
E
G
W
T
D
D
---------
67
88.81
100%
-36
- C- -
M067
-
A:
[27-410]
--------------------------
N
P
D
T
N
R
T
I
G
L
D
V
Y
T
E
V
Q
T
R
G
T
E
T
T
T
S
T
L
K
A
N
A
G
F
G
I
F
A
Y
Q
T
S
S
A
G
W
N
S
E
K
G
N
T
T
P
N
F
M
Y
N
E
H
A
T
W
T
S
D
S
W
G
Y
T
N
L
R
F
W
P
I
D
D
K
K
I
T
F
F
A
Y
A
P
Y
E
S
K
P
E
V
G
T
D
Q
K
I
T
L
S
G
Q
N
A
K
G
A
P
T
I
T
F
E
V
K
T
S
N
N
W
K
D
M
I
D
L
V
T
D
C
H
T
A
I
Q
D
Q
T
N
E
S
N
K
G
T
V
Q
F
K
F
S
H
V
L
T
Q
I
A
N
I
K
V
K
P
D
V
N
L
G
T
D
T
K
I
F
V
T
G
L
K
L
D
P
G
S
T
T
L
Y
N
K
A
V
Y
K
F
D
N
D
T
W
E
A
I
S
P
D
A
S
Y
F
S
T
E
Q
D
L
S
D
F
L
N
K
--------
N
K
S
S
I
N
V
S
D
D
Q
N
A
T
A
L
F
S
D
T
E
A
L
Y
F
I
P
V
N
N
K
N
G
T
T
N
A
G
D
L
K
L
K
I
N
Y
D
I
V
T
K
V
T
D
T
S
N
L
T
S
T
I
T
N
K
E
V
S
L
P
K
N
T
F
K
K
G
T
K
H
T
Y
V
L
T
I
K
M
N
A
I
K
I
T
V
E
D
N
M
E
G
W
T
D
D
---------
83
88.32
100%
-49
- C- -
M083
-
A:
[29-394]
----------------------------
D
T
N
R
T
I
G
L
D
V
Y
T
E
V
Q
T
R
G
T
E
T
T
T
S
T
L
K
A
N
A
G
F
G
I
F
A
Y
Q
T
S
S
A
G
W
N
S
E
K
G
N
T
T
P
N
F
M
Y
N
E
H
A
T
W
T
S
D
S
W
G
Y
T
N
L
R
F
W
P
I
D
D
K
K
I
T
F
F
A
Y
A
P
Y
E
S
K
P
E
V
G
T
D
Q
K
I
T
L
S
G
Q
N
A
K
G
A
P
T
I
T
F
E
V
K
T
S
N
N
W
K
D
M
I
D
L
V
T
D
C
H
T
A
I
Q
D
Q
T
N
E
S
N
K
G
T
V
Q
F
K
F
S
H
V
L
T
Q
I
A
N
I
K
V
K
P
D
V
N
L
G
T
D
T
K
I
F
V
T
G
L
K
L
D
P
G
S
T
T
L
Y
N
K
A
V
Y
K
F
D
N
D
T
W
E
A
I
S
P
D
A
S
Y
F
S
T
E
Q
D
L
S
D
F
L
N
K
---------
K
S
S
I
N
V
S
D
D
Q
N
A
T
A
L
F
S
D
T
E
A
L
Y
F
I
P
V
N
N
K
N
G
T
T
N
A
G
D
L
K
L
K
I
N
Y
D
I
V
T
K
V
T
---------
T
N
K
E
V
S
L
P
K
N
T
F
K
K
G
T
K
H
T
Y
V
L
T
I
K
M
N
A
I
K
I
T
V
E
D
N
M
E
G
W
T
D
D
---------