@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 : T0796: (2014-05-28 )
MIFLAILDLKSLVLNAINYWGPKNNNGIQGGDFGYPISEKQIDTSIITSTHPRLIPHDLTIPQNLETIFTTTQVLTNNTDLQQSQTVSFAKKTTTTTSTSTTNGWTEGGKISDTLEEKVSVSIPFIGEGGGKNSTTIEANFAHNSSTTTFQQASTDIEWNISQPVLVPPRKQVVATLVIMGGNFTIPMDLMTTIDSTEHYSGYPILTWISSPDNSYNGPFMSWYFANWPNLPSGFGPLNSDNTVTYTGSVVSQVSAGVYATVRFDQYDIHNLRTIEKTWYARHATLHNGKKISINNVTEMAPTSPIKTN
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..--.-----....----------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
I
F
L
A
---
I
-----
L
D
L
K
S
L
--
V
-------
L
------
N
A
I
NY-WGPKNNNGIQG----GDFG-YPIS-E------K-Q---------I
D
---
T
S
IITS-TH---PR--------------------LIPH--------DLTIPQ
N
-
L
E
----
T
-----
I
F
T
T
T
Q
V
LTNNT--DLQQS-Q
T
V
-
S
F
AKKTTTTTSTSTT--NGW-TEGGK
I
-----
S
D
T
----
L
E
EK
V
S
--------------
V
S--I
P
F
---
I
GEGGGK----NS
T
T
I
---
E
----
A
N
FAHNSST
T
T
F
Q
QAST
D
I
E
WNI-S--QPVLVP
P
R
K
Q
V
V
----
A
T
L
V
I
MGG
N
F
T
I
P
M
D
L
M
TTI--DST-----EHY----SG
Y
---------------
P
-----------------
I
L
--
T
W
ISS-PDNSY----NGP
F
----
M
S
W
Y
----------FA--NWPNLPSG---FGPLN-------SD
N
T
V
T
Y---
T
G
S
V
V
S
-
Q
VS---------------A
G
V
Y
A
T
V
R
F
DQYDIHN
L
R
T
I
E
K
--
T
W
Y
A
R-HATLHNG-
K
--
K
I
S
----------I-NN------V-TEMAPTS--P-----IKTN----------------
28
SP3
88.23
13%
-43
- C5 -
1UYJ
2
?
A:
[16-295]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------SYDNV
D
T
L
I
E
K
G
---
R
-----
Y
N
T
K
Y
N
--
Y
-------
L
------
K
R
M
E
K
-
Y
Y
P
----
N
A
M
A
----
Y
F
D
K
-
V
T
I
N
-
P
------
Q
-
G
---------
N
D
---
F
Y
I
N
-
N
-
P
K
---
V
E
--------------------
L
D
G
E
--------
P
S
M
N
Y
L
E
-
D
V
-----------
Y
V
G
K
A
L
L
T
N
D
T
--
Q
Q
E
Q
K
-
L
K
S
Q
S
F
T
C
K
N
T
D
T
V
T
A
T
T
T
--
H
T
V
-
G
T
S
I
Q
A
-----
T
A
K
----
F
T
V
P
--------------------------
F
N
E
T
G
V
S
--------
L
---
T
----
T
S
Y
S
F
A
N
T
N
T
N
T
N
S
K
E
I
T
H
N
V
-
P
-
S
--
Q
D
I
L
V
P
A
N
T
T
V
E
----
V
I
A
Y
L
K
K
V
N
V
K
G
N
V
K
L
V
G
Q
V
--
S
G
S
E
W
G
E
I
P
S
Y
----
L
A
F
---------------
P
-----------------
R
D
--
G
Y
K
F
S
-
L
S
D
T
V
----
N
K
S
D
----
L
N
---------------------------------------
E
D
G
T
I
N
I
---
N
G
K
G
N
Y
-
S
A
V
---------------
M
G
D
E
L
I
V
K
V
R
N
L
----
N
T
N
N
V
Q
--
E
Y
V
I
P
-----
V
D
S
-
N
--
I
V
K
----------
Y
-
R
S
------
L
-
S
I
K
A
P
G
I
----------------------------
19
Fugue
88.11
15%
-39
- C5 -
1UYJ
2
?
A:
[16-295]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------S
Y
D
N
V
D
---
T
-----
L
I
E
K
G
R
--
Y
-------
N
------
T
K
Y
N
Y
-
L
K
R
M
E
K
Y
Y
P
N
A
----
M
A
Y
F
-
D
K
V
T
-
I
------
N
-
P
---------
Q
G
---
N
D
F
Y
I
N
-
N
P
---
K
V
--------------------
E
L
D
G
--------
E
P
S
M
N
Y
L
-
E
D
----
V
-----
Y
V
G
K
A
L
L
T
N
D
T
Q
--
Q
E
Q
K
L
-
K
S
Q
-
S
F
T
C
K
N
T
D
T
V
T
A
T
T
T
--
H
T
V
-
G
T
S
I
---------------
Q
A
T
A
K
--------------
F
T
--
V
P
F
---
N
E
T
G
-------
V
S
L
T
T
---
S
----
Y
S
F
A
N
T
N
T
N
T
N
S
K
E
I
T
H
N
V
P
----
S
--
Q
D
I
L
V
P
A
N
T
T
V
E
----
V
I
A
Y
L
K
K
V
N
V
K
G
N
V
K
L
V
G
Q
V
--
S
G
S
-----
E
W
G
----
E
I
-----------------------------------
P
--
S
Y
L
A
F
-
P
R
D
G
Y
----
K
F
S
L
----
S
D
T
V
---------------------
N
---
K
S
D
L
N
-------
E
D
G
T
I
N
I
---
N
G
K
G
N
Y
-
S
A
V
---------------
M
G
D
E
L
I
V
K
V
R
N
L
N
T
N
N
V
Q
E
Y
V
I
--
P
---------
V
D
S
-
N
--
I
V
K
----------
Y
-
R
S
------
L
-
S
I
K
A
P
G
I
----------------------------
38
HHSearch
85.78
16%
-55
- C5 -
2D42
-
?
A:
[2-249]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
---
I
-----
I
N
L
L
R
E
--
L
-------
E
------
I
Y
G
M
Q
-
Y
A
N
S
H
Q
Y
T
--
Y
----
G
S
S
--
Y
S
-----------------------
D
---
D
T
N
P
I
R
-
I
A
---
G
L
--------------------
D
A
R
I
--------
P
D
P
I
V
T
D
P
V
N
----
H
-----
I
V
L
D
R
R
I
I
T
N
T
T
--
S
N
S
L
E
-
G
V
F
-
S
F
S
N
A
Y
T
S
R
T
S
S
Q
T
R
--
D
G
V
-
T
A
G
T
N
I
-----
T
G
K
----
Y
----
F
--------------
A
N
--
L
F
F
---
E
Q
V
G
---------
L
S
G
---
R
----
I
A
F
E
G
A
V
T
N
E
N
K
Y
T
L
D
A
T
Q
D
F
R
D
-
S
--
Q
T
I
R
V
P
P
F
H
R
A
T
----
G
V
Y
T
L
E
Q
G
A
F
E
K
M
T
V
L
E
C
V
V
--
S
G
N
-----
G
I
I
----
R
Y
Y
---------------
R
T
----------------
L
P
--
D
N
S
Y
T
-
E
I
-------
V
Q
------
R
V
N
I
----------
I
D
V
L
Q
A
N
G
T
P
-
G
---
F
T
I
S
K
-------
E
Q
N
R
A
Y
F
---
T
G
E
G
T
I
-
S
G
Q
---------------
I
G
L
Q
T
F
I
D
V
V
I
E
P
L
P
G
H
------------------------------------------------------------------------------------
25
Fugue
79.16
12%
-23
- C4 -
3W4S
-
?
A:
[1-273]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
K
---
C
-----
L
V
V
G
H
V
--
V
-------
R
------
D
I
V
K
K
---
G
N
K
V
L
E
R
L
G
----
G
-------------------------------------------------------------------------------
G
A
Y
Y
S
A
L
-
A
L
----
S
-----
R
F
C
D
V
E
I
L
T
S
F
S
--
N
L
P
E
E
-
W
I
K
-
E
L
E
S
M
A
K
L
Q
V
V
P
S
E
T
--
T
-
T
-
T
Y
E
L
T
Y
-----
L
D
G
----
N
R
R
R
L
K
--------------
L
L
--
E
R
A
SPI
E
E
L
P
D
G
E
----
Y
D
V
L
L
---
M
----
N
P
V
A
R
E
V
P
P
A
L
V
T
S
A
L
K
K
F
P
F
V
A
-
V
D
I
Q
G
F
I
R
S
S
S
P
G
E
I
Q
Y
Q
P
I
D
G
S
F
L
K
G
V
K
I
L
H
A
D
L
G
E
Y
Q
--
Y
L
Q
-----
G
F
S
----
P
E
F
---------------
V
-----------------
D
V
--
L
L
L
S
N
-----------
G
P
E
----
P
G
K
A
----------
F
L
--
H
G
R
E
Y
T
F
E
---
P
V
H
V
G
-------
V
D
E
S
------
T
G
--
A
G
-
D
V
F
---------------
L
G
A
F
T
G
F
Y
S
Q
C
P
F
V
Q
A
L
K
R
A
----
A
A
F
T
A
-
L
F
L
K
N
R
S
-
V
--
D
F
S
----------
M
-
D
D
------
V
-
N
E
L
A
M
K
V
--
E
-----
V
K
R
V
----------------
29
SP3
77.83
10%
-35
- C5 -
1W3A
5
?
A:
[3-314]
-------------------------------------------------------------------------------------D
I
Y
I
P
P
EG
L
Y
F
R
L
L
G
FASR
Q
V
I
F
A
R
NSPSPD
V
G
L
S
P
V
NDQATDQ
Y
F
S
L
I
Y
G
T
GEHAG
L
Y
A
I
K
S
KATG
K
V
L
F
S
R
R
PAEPY
V
G
Q
I
D
G
DGRYPDN
W
F
K
I
E
P
G
---
K
-----
T
Y
L
S
K
Y
F
R
L
-------
V
------
Q
P
S
T
G
-
T
A
L
V
S
R
T
H
L
Q
P
----
Y
F
W
N
-
H
P
Q
T
-
E
------
V
-
F
DDQ
Y
F
T
F
LF
E
D
---
M
S
I
D
K
I
-
E
Y
--------------------------
D
L
K
--------
D
G
R
I
L
S
S
--
T
----
P
-----
N
V
L
A
T
Q
T
L
E
N
T
S
--
S
Q
T
Q
E
-
M
S
F
-
N
L
S
Q
T
L
T
Q
T
S
T
F
A
Y
T
--
A
G
F
-
T
I
A
V
G
T
-----
A
F
K
------------------------
A
G
--
V
P
I
---
F
A
E
T
E
F
K
----
V
D
I
S
V
---
D
----
N
Q
W
N
W
G
E
E
N
T
F
S
K
T
Y
T
A
T
F
S
---------
V
R
A
G
P
G
E
T
V
K
----
A
V
S
T
V
D
S
G
I
I
N
V
P
F
T
A
Y
L
S
S
--
K
S
T
-----
G
F
E
V
T
T
E
G
I
W
---------------
R
-----------------
G
V
--
S
S
W
D
L
-
R
H
T
L
T
----
S
V
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
77.50
19%
-25
* C5 *
3G4N
-
AERA_AERHY
A:
[141-365]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
--
V
-------
T
------
R
D
G
D
G
-
W
V
I
R
G
N
N
--
D
G
----
G
C
D
G
-
Y
R
C
G
-
D
------
K
T
A
---------
I
K
---
V
S
N
F
A
Y
N
L
D
---
P
D
--------------------
S
F
K
H
--------
G
D
V
T
Q
S
D
-
R
Q
----
L
-----
V
K
T
V
V
G
W
A
V
N
D
S
--
D
T
P
Q
S
G
Y
D
V
-
T
L
R
Y
D
T
A
--
T
N
W
S
K
T
--
N
T
Y
-
G
L
S
E
K
V
-----
T
T
K
----
N
----
K
--------------
F
K
--
W
P
L
---
V
G
E
T
E
--------
L
S
I
---
E
----
I
A
A
N
Q
S
W
A
S
Q
N
G
G
S
T
T
T
S
--
L
S
Q
-
S
--
V
R
P
T
V
P
A
R
S
K
I
P
----
V
K
I
E
L
Y
K
A
D
I
S
Y
P
Y
E
F
K
A
D
V
--
S
Y
D
-----
L
T
L
----
S
G
F
---------------
L
-----------------
R
W
--
G
G
N
A
W
-
Y
T
H
P
D
----
N
R
P
N
----
W
N
H
T
----------
F
V
--
I
G
P
Y
K
D
K
A
---
S
S
I
R
Y
-------
Q
W
D
K
R
Y
I
---
P
-----------------------------------------------------------------------------------------------------------------------------
26
Fugue
77.40
13%
-17
- C5 -
1PRE
-
AERA_AERHY
A:
[85-470]
----------------------------------------------------------------------------------------------------------------------------------------------------------------
I
P
T
L
S
A
L
D
I
P
D
GD
E
V
D
V
Q
W
R
L
V
H
D
---
S
-----
A
N
F
I
K
P
--
T
-------
S
------
Y
L
A
H
Y
-
L
G
Y
A
W
V
G
G
N
H
S
----
Q
Y
V
G
-
E
D
M
D
-
V
------
T
-
R
---------
D
G
---
D
G
W
V
I
R
-
G
N
---
N
D
--------------------
G
G
C
D
G
YRCGD
K
T
A
I
K
V
S
N
F
-
A
Y
----
N
-----
L
D
P
D
S
F
K
H
G
D
V
T
Q
S
D
R
Q
L
V
-
K
T
V
-
V
G
W
A
V
N
D
P
Q
S
G
Y
D
V
T
--
L
R
Y
-
D
T
A
T
N
W
-----
S
K
T
N
TYG
L
S
E
K
V
T
--------------
T
K
--
N
K
F
---
K
W
P
L
V
G
E
----
T
E
L
S
I
---
E
I
A
A
N
Q
S
W
A
S
Q
N
G
G
S
T
T
T
S
L
S
Q
S
V
R
P
T
---------
V
P
A
R
S
K
I
P
----
V
K
I
E
L
Y
K
A
D
I
S
Y
P
Y
E
F
K
A
D
V
--
S
Y
D
-----
L
T
L
----
S
G
F
---------------
L
R
WGGNAWYTHPDNRPN
W
N
H
--
T
F
V
I
G
-
P
Y
K
D
K
----
A
S
S
I
----
R
Y
Q
W
D
K
RYIPGEVK
W
W
--
D
W
N
W
T
I
Q
Q
---
N
G
L
S
T
-------
M
Q
N
N
L
A
R
---
V
L
R
P
V
R
-
A
G
I
---------------
T
G
D
F
S
A
E
S
Q
F
A
G
N
I
E
I
G
A
P
V
P
L
--
G
L
R
L
E
I
P
L
D
A
Q
E
L
-
S
--
G
L
G
----------
F
-
N
N
------
V
-
S
L
S
V
T
P
A
--
A
-----
N
Q
------------------
1
PsiBlast_PDB
73.00
26%
-25
- C5 -
2D42
-
?
A:
[37-191]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
--------------------
I
A
G
L
--------
D
A
R
I
P
D
P
-
I
V
----
T
D
P
V
N
H
I
V
L
D
R
R
I
I
T
N
T
T
--
S
N
S
L
E
-
G
V
F
-
S
F
S
N
A
Y
T
S
R
T
S
S
Q
T
R
--
D
G
V
-
T
A
G
T
N
I
T
G
K
Y
F
A
N
L
----
F
F
E
Q
V
G
--------------
L
S
G
R
I
A
F
---
E
G
A
V
T
N
E
----
N
K
Y
T
L
---
D
----
A
-------
T
Q
D
F
R
D
----------
S
--
Q
T
I
R
V
P
P
F
H
R
A
T
----
G
V
Y
T
L
E
Q
G
A
F
----
E
K
M
T
V
L
--
E
C
V
-------
V
----
S
G
N
---------------
G
-----------------
I
I
--
R
Y
Y
R
T
L
P
D
N
S
Y
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
SP3
72.87
14%
-28
- C5 -
1PRE
-
AERA_AERHY
A:
[85-470]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
P
T
L
S
A
L
D
I
P
D
GD
E
-----
V
D
V
Q
W
R
--
L
VHDSANF
I
------
K
P
T
S
Y
-
L
A
H
Y
L
G
Y
A
W
V
G
----
G
N
H
S
-
Q
Y
V
G
-
E
D
M
D
V
T
R
D
-
G
---------
D
G
---
W
V
I
R
G
N
-
N
D
---
G
G
C
D
G
YRCGD
K
T
A
I
K
V
S
N
F
A
Y
N
L
D
P
D
--------
S
F
K
H
G
D
V
-
T
Q
S
D
R
Q
L
-----
V
K
T
V
V
G
W
A
V
N
D
P
----
Q
S
G
-
Y
D
V
-
T
L
R
Y
D
T
A
T
N
W
S
K
T
N
T
----
Y
-
G
L
S
E
K
V
-----
T
T
K
----
N
K
F
K
W
P
--------------
L
-----------
V
G
E
T
E
----
L
S
I
E
I
---
A
----
A
N
Q
S
W
A
S
Q
N
G
G
S
T
T
T
S
L
S
Q
S
V
R
P
-
T
------
V
P
A
R
S
K
I
P
----
V
K
I
E
L
Y
K
A
D
I
S
Y
P
Y
E
F
K
A
D
V
--
S
Y
D
-----
L
T
L
----
S
G
F
L
R
WGGNAWYTHPDNR
P
-----------------
N
W
--
N
H
T
F
V
-
I
G
P
Y
K
----
D
K
A
S
----
S
I
R
Y
----------
Q
W
--
D
K
R
Y
I
P
G
E
---
V
K
W
W
D
W
N
W
T
I
--
Q
Q
N
G
L
S
T
---
M
Q
N
N
L
A
-
R
V
L
---------------
R
P
V
R
A
G
I
T
G
D
F
S
A
E
S
Q
F
A
G
N
I
E
--
I
--
G
A
-
P
V
P
L
G
L
R
-
L
--
E
I
P
LD
A
Q
E
L
S
G
L
G
F
-
N
N
------
V
S
L
S
V
T
P
A
A
--
N
-----
Q
-------------------
31
SP3
72.22
14%
-24
- C5 -
1PRE
-
AERA_AERHY
A:
[2-470]
----------------------------------------------------------------------------------------EPVYPDQ
L
R
L
F
SLGQGVCGDK
Y
R
P
V
N
R
E
E
A
Q
S
V
K
S
N
I
V
G
M
MGQW
Q
I
S
G
L
A
NG
W
V
I
M
G
PGYNGEI
K
P
G
T
A
SNTWCYPTNPVTGE
I
P
T
L
S
A
L
D
I
P
D
G
D
---
E
-----
V
D
V
Q
W
R
--
L
VHDSANF
I
------
K
P
T
S
Y
-
L
A
H
Y
L
G
Y
A
W
V
G
----
G
N
H
S
-
Q
Y
V
G
-
E
D
M
D
V
T
R
D
-
G
---------
D
G
---
W
V
I
R
G
N
-
N
D
---
G
G
C
D
G
YRCGD
K
T
A
I
K
V
S
N
F
A
Y
N
L
D
P
D
--------
S
F
K
H
G
D
V
-
T
Q
S
D
R
Q
L
-----
V
K
T
V
V
G
W
A
V
N
D
P
----
Q
S
G
-
Y
D
V
-
T
L
R
Y
D
T
A
T
N
W
S
K
T
N
T
----
Y
-
G
L
S
E
K
V
-----
T
T
K
----
N
K
F
K
W
P
--------------
L
-----------
V
G
E
T
E
----
L
S
I
E
I
---
A
----
A
N
Q
S
W
A
S
Q
N
G
G
S
T
T
T
S
L
S
Q
S
V
R
P
-
T
------
V
P
A
R
S
K
I
P
----
V
K
I
E
L
Y
K
A
D
I
S
Y
P
Y
E
F
K
A
D
V
--
S
Y
D
-----
L
T
L
----
S
G
F
L
R
WGGNAWYTHPDNR
P
-----------------
N
W
--
N
H
T
F
V
-
I
G
P
Y
K
----
D
K
A
S
----
S
I
R
Y
----------
Q
W
--
D
K
R
Y
I
P
G
E
---
V
K
W
W
D
W
N
W
T
I
--
Q
Q
N
G
L
S
T
---
M
Q
N
N
L
A
-
R
V
L
---------------
R
P
V
R
A
G
I
T
G
D
F
S
A
E
S
Q
F
A
G
N
I
E
--
I
--
G
A
-
P
V
P
L
G
L
R
-
L
--
E
I
P
LD
A
Q
E
L
S
G
L
G
F
-
N
N
------
V
S
L
S
V
T
P
A
A
--
N
-----
Q
-------------------
35
SP3
68.11
11%
-9
- C3 -
1X9Y
-
SSPB_STAAU
A:
[41-397]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------K
Q
L
E
I
N
V
KSDKVP
Q
K
V
K
D
L
A
---
Q
-----
Q
Q
F
A
G
Y
--
A
-------
K
------
A
L
D
K
Q
-
S
N
A
K
T
G
K
Y
E
L
G
----
E
A
F
K
I
Y
K
F
N
-
G
------
E
-
E
---------
D
N
S
Y
Y
Y
P
V
I
K
D
------
G
K
--------------------
I
----------------
V
Y
-
T
L
----
T
-----
L
S
P
K
N
K
D
D
L
N
K
S
--
K
E
D
M
N
-
Y
S
V
-
K
I
S
N
F
I
A
K
D
L
D
Q
I
K
D
--
K
N
-----
S
N
I
-----
T
V
L
----
T
D
E
K
-----------------
G
--
F
Y
F
---
E
E
D
G
--
K
----
V
R
L
V
K
---
A
----
T
P
L
A
N
N
I
K
E
K
E
S
A
K
T
V
S
P
Q
L
K
Q
E
-
L
--
K
T
T
V
T
P
T
K
V
Q
Y
E
----
N
T
L
K
--------
N
F
K
I
R
E
Q
Q
--
F
D
N
-----
S
W
C
----
A
G
F
---------------
S
-----------------
M
A
--
A
L
L
N
A
-
T
K
N
T
D
----
T
Y
N
A
----
H
D
I
M
----------
R
T
--
L
Y
P
E
V
S
E
Q
DLP
N
C
A
T
F
-------
P
N
Q
M
I
E
Y
G
K
S
Q
G
R
D
I
H
-
Y
Q
E
G
VPS
Y
N
Q
V
D
Q
L
T
K
D
N
V
G
I
M
I
L
A
Q
S
V
S
Q
N
P
N
D
P
H
L
G
H
A
--
L
A
V
V
G
-
N
A
K
I
N
D
Q
-
E
--
K
L
I
----------
Y
-
W
N
PWDT
E
L
S
-
I
Q
D
A
D
S
S
L
L
H
-----
L
S
F
N
R
D
Y
N
WY
G
S
M
I
G
Y
L
EVP
41
HHSearch
64.12
15%
-34
- C5 -
1W3F
3
?
A:
[130-308]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
-
W
N
H
P
Q
T
---
E
V
----
F
D
D
Q
-
Y
F
T
F
-
L
------
F
E
D
---------
M
S
---
I
D
K
I
E
Y
------------------------------
D
L
--------
K
D
G
R
I
L
S
-
S
T
----
P
-----
N
V
L
A
T
Q
T
L
E
N
T
S
--
S
Q
T
Q
E
-
M
S
F
-
N
L
S
Q
T
L
T
Q
T
S
T
F
A
Y
T
--
A
G
F
-
T
I
A
V
G
T
---------------
A
F
K
--------------
A
G
--
V
P
I
---
F
A
E
T
E
F
K
------
V
D
I
---
S
----
V
D
N
Q
----
W
N
W
G
E
E
N
T
F
S
K
T
Y
T
A
-
T
--
F
S
V
R
A
G
P
G
E
T
V
K
----
A
V
S
T
V
D
S
G
I
I
N
V
P
F
T
A
Y
L
S
S
KS
T
G
F
-----
E
V
-----------------------------------------
T
T
--
E
G
I
W
R
-
G
V
S
S
W
----
D
L
R
H
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
Fugue
61.65
12%
-30
- C5 -
2ZTB
4
?
A:
[2-248]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
V
I
R
E
---
Y
-----
L
M
F
N
E
L
--
S
-------
A
LSSS
P
E
S
V
R
S
R
-
F
S
S
I
Y
G
T
N
P
D
G
----
I
A
L
N
-
N
E
T
Y
-
F
------
N
-
A
---------
V
K
---
P
P
I
T
A
Q
-
Y
G
---
Y
Y
--------------------
C
Y
K
N
--------
V
G
T
V
Q
Y
V
-
N
R
----
P
-----
T
D
I
N
P
N
V
I
L
A
Q
D
--
T
L
T
N
N
-
T
N
E
-
P
F
T
T
T
I
T
I
T
G
S
F
T
N
T
--
S
T
V
-
T
S
S
T
T
T
-----
G
------
F
K
F
T
S
K
--------------
L
S
--
I
K
K
---
V
F
E
I
G
G
E
----
V
S
F
S
T
---
T
----
I
G
T
S
E
T
T
T
E
T
I
T
V
S
K
S
V
T
V
T
V
-----------
P
A
Q
S
R
R
T
----
I
Q
L
T
A
K
I
A
K
E
S
A
D
F
S
A
P
I
T
V
--
D
------------------------------------------------------------------------------------------------------------------------
G
Y
F
G
A
---
N
F
P
K
R
V
-
G
P
G
---------------
G
H
Y
F
W
F
N
P
A
R
D
V
L
N
T
T
S
G
T
L
R
G
--
T
V
T
N
V
-
S
S
F
-----------------------
D
F
------
Q
-
T
I
V
Q
P
A
R
--
S
-----
L
-------------------
36
SP3
60.58
10%
-28
- C1 -
1QAS
-
PLCD1_RAT
A:
[205-756]
YKMLTQR
A
E
I
D
R
A
F
E
E
A
A
GSAE
T
L
S
V
E
R
L
V
T
F
L
Q
HQQREEEAG
P
A
L
A
L
S
L
I
E
R
YEPS
E
T
A
K
A
Q
RQMT
K
D
G
F
L
M
Y
L
L
SADGNAFSLAHRRVYQDMDQPLSHYLVS
S
S
H
NTYLLEDQLT
G
P
S
S
T
E
A
Y
I
R
A
L
C
K
GCR
C
L
E
L
D
C
W
D
G
P
NQ
E
P
I
I
Y
HGYTFT
S
K
I
L
F
C
D
V
L
R
A
I
R
D
Y
A
FKASP
Y
P
V
I
L
S
---
L
ENHCS
L
E
Q
Q
R
V
--
M
-------
A
------
R
H
L
R
A
I
L
G
P
I
L
L
D
Q
P
L
D
----
G
V
T
T
-
S
L
P
S
-
P
------
E
-
Q
---------
L
K
---
G
K
I
L
L
K
-
G
K
KLG
G
K
--------------------
L
V
P
E
--------
L
S
D
M
I
I
Y
-
C
K
----
S
-----
V
H
F
G
G
F
S
S
P
G
T
S
--
G
Q
A
F
Y
-
E
M
A
-
S
F
S
E
S
R
A
L
R
L
L
Q
E
S
G
--
N
G
F
V
R
H
N
V
S
C
-----
L
S
R
----
I
Y
P
A
G
W
RTDSSNYSP
V
E
M
W
N
G
G
--
C
Q
I
---
V
A
L
N
F
Q
T
----
P
G
P
E
M
D
V
Y
L
----
G
C
F
Q
D
N
G
G
C
G
Y
V
L
K
P
A
F
L
R
D
P
N
T
-
T
------
F
N
S
R
A
L
T
Q
----
G
P
---
W
W
R
P
E
R
L
R
V
R
I
I
S
G
Q
--
Q
L
P
-----
K
V
N
----
I
V
D
---------------
P
-----------------
K
V
--
I
V
E
I
H
-
G
V
G
R
D
----
T
G
S
R
----
Q
T
A
V
----------
I
T
--
N
N
G
F
N
P
----------------------
R
W
---
D
M
E
F
E
F
-
E
V
T
---------------
V
P
D
L
A
L
V
R
F
M
V
E
D
Y
D
S
S
S
K
N
D
F
I
G
Q
S
T
I
P
-
W
N
S
L
K
Q
G
Y
R
--
H
V
H
----------
L
-
L
S
------
K
-
N
G
D
Q
H
P
S
--
A
T
L
F
V
K
I
S
I
Q
D---------------
32
SP3
59.45
10%
-6
- C4 -
1JP4
2
BPNT1_RAT
A:
[5-308]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HN
V
L
M
R
L
V
A
---
S
-------
A
Y
S
I
--
A
-------
Q
------
K
A
G
T
I
-
V
R
C
V
I
A
E
G
D
L
G
I
V
Q
K
T
S
A
T
-
D
L
Q
T
-
K
A
D
R
M
V
-
Q
-
M
---------
S
I
---
C
S
S
L
S
R
-
K
F
---
P
K
L
T
I
-----------------
I
G
E
E
--------
D
L
P
E
V
D
Q
-
E
L
----
I
-----
E
D
G
Q
S
E
E
I
L
K
Q
P
--
C
P
S
Q
Y
-
S
A
I
-
K
E
E
D
L
V
V
W
V
D
P
V
D
G
T
--
K
E
Y
-
T
E
G
---------------
L
L
D
N
V
T
--------------
V
L
--
I
G
I
---
A
Y
E
G
K
A
I
----
A
G
I
I
N
---
Q
----
P
Y
Y
N
Y
Q
A
G
P
D
A
V
L
G
R
T
I
W
G
V
L
G
L
-
G
--
A
F
G
F
Q
L
K
E
A
P
A
G
----
K
H
I
I
T
T
T
R
S
-----
H
S
N
K
L
V
--
T
D
C
-----
I
A
A
----
M
N
P
---------------
D
-----------------
N
V
--
L
R
V
G
G
-
A
G
N
K
I
I
Q
L
I
E
G
K
A
----
S
A
Y
V
----------
F
A
--
S
P
G
C
K
K
W
D
---
T
C
A
--------------------
P
E
V
I
L
-
H
-
A
---------------
V
G
G
K
L
T
---------
D
I
H
G
N
P
L
--
Q
Y
-
D
K
-
E
V
K
H
M
N
S
-
A
G
V
L
A
A
----------
L
-
R
N
------
Y
-
E
Y
Y
A
S
R
V
--
P
E
S
---
V
K
S
A
L
IP-------------
42
HHSearch
55.65
15%
-34
- C5 -
2ZTB
3
?
A:
[77-244]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
-
N
P
----
N
-----
V
I
L
A
Q
D
T
L
T
N
N
T
--
N
E
P
F
T
-
T
T
I
-
T
I
T
G
S
F
T
N
T
S
T
V
T
S
S
T
T
T
G
F
-
K
F
T
S
K
L
-----
S
I
K
----
K
--------------------
V
--
F
-----------------
E
I
G
G
---
E
----
V
S
F
S
T
T
I
G
T
S
--
E
T
T
T
E
T
I
T
V
S
K
-
S
--
V
T
V
T
V
P
A
Q
S
R
R
T
----
I
Q
L
T
A
K
I
A
K
E
S
A
D
F
S
A
P
I
T
V
--
D
G
Y
-----
F
G
A
----
N
F
P
---------------
K
-----------------
R
V
GP
G
G
H
Y
F
-
W
F
N
P
A
----
R
D
V
------------------------------------
L
N
T
-------
T
S
G
-------
T
L
R
G
T
V
-
T
N
V
---------------
S
S
F
D
F
Q
T
I
V
Q
P
------------------------------------------------------------------------------------------
18
PsiBlast_PDB
48.68
24%
5
- C5 -
1UYJ
1
?
A:
[80-177]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
----
D
-----
V
Y
V
G
K
A
L
L
T
N
D
T
----
Q
Q
E
-
Q
K
L
----
K
S
Q
S
F
T
C
K
N
T
D
T
--
V
T
A
-
T
T
T
H
T
V
-----
G
T
S
----
I
Q
A
T
A
K
--------------
F
T
--
V
P
F
--------------
N
E
T
G
V
---
S
----
L
T
T
S
Y
S
F
A
N
T
N
T
N
T
N
S
K
E
I
T
H
N
V
P
S
--
Q
D
I
L
V
P
A
N
T
T
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
SP3
47.71
9%
-28
- C2 -
2CBA
-
?
?:
[3-260]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
H
W
G
Y
G
------
K
-
H
---------
N
G
---
P
E
-----
H
W
---
H
K
--------------------
D
F
P
I
--------
A
K
G
E
R
Q
S
-
P
V
----
D
-----
I
D
T
H
T
A
K
Y
D
P
S
L
--
K
P
------
L
-
S
V
S
Y
D
Q
A
T
S
L
R
I
L
N
N
--
G
H
-------------
A
F
N
----
V
E
F
D
D
S
--------------
Q
D
--
K
A
V
---
L
K
G
G
P
L
D
----
G
T
Y
R
L
---
I
----
Q
F
H
F
H
W
G
S
L
D
G
Q
G
S
E
H
T
V
D
K
K
K
Y
-
A
------------
A
E
----
L
H
L
V
H
W
N
T
K
-------
Y
G
D
F
--
G
K
A
-----
V
Q
Q
----
P
D
G
---------------
L
-----------------
A
V
--
L
G
I
F
L
-
K
V
G
S
A
----
K
P
G
L
Q
K
V
V
D
V
L
D
----------
S
I
--
K
T
K
G
K
S
A
D
---
F
T
N
F
D
PRGLLPE
S
L
D
Y
W
T
Y
---
P
G
S
L
T
T
P
P
L
L
---------------
E
C
V
T
W
I
V
L
K
E
P
I
S
V
S
--
S
E
Q
V
L
--
K
F
R
K
L
-
N
F
N
G
E
G
E
-
P
--
E
E
L
----------
M
V
D
N
------
W
-
R
P
A
Q
P
L
K
N
R
Q
-----
I
K
A
S
FK--------------
17
PsiBlast_PDB
46.32
24%
18
- C5 -
3ZJX
1
?
A:
[69-166]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
E
----
D
-----
V
Y
V
G
K
A
L
L
T
N
D
T
----
Q
Q
E
-
Q
K
L
----
K
S
Q
S
F
T
C
K
N
T
D
T
--
V
T
A
-
T
T
T
H
T
V
-----
G
T
S
----
I
Q
A
T
A
K
--------------
F
T
--
V
P
F
---
N
E
T
G
-------
V
S
L
T
T
---
S
----
Y
S
F
A
N
T
N
T
N
T
N
S
K
E
I
T
A
N
V
P
----
S
--
Q
D
I
L
V
P
A
N
T
T
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
42.15
24%
47
- C6 -
3SGH
-
?
A:
[296-377]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
-----
V
Y
A
N
Y
S
K
L
F
I
A
T
--
D
K
T
L
P
-
Q
P
V
-
M
Y
A
A
E
A
A
F
L
R
A
E
G
A
L
--
K
G
W
-
N
M
G
G
D
A
-----
K
T
F
----
Y
E
K
G
V
R
--------------
L
S
--
F
E
E
---
F
G
V
S
G
A
D
D
Y
L
A
D
A
T
S
I
---
P
----
G
N
Y
V
D
N
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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.......220.......230.......240.......250.......260.......270.......280.......290.......300.......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
I
F
L
A
I
L
D
L
K
S
L
V
L
N
A
I
NYWGPKNNNGIQGGDFGYPISEKQI
D
T
S
IITSTHPRLIPHDLTIPQ
N
L
E
T
I
F
T
T
T
Q
V
LTNNTDLQQSQ
T
V
S
F
AKKTTTTTSTSTTNGWTEGGK
I
S
D
T
L
E
EK
V
S
V
SI
P
F
I
GEGGGKNS
T
T
I
E
A
N
FAHNSST
T
T
F
Q
QAST
D
I
E
WNISQPVLVP
P
R
K
Q
V
V
A
T
L
V
I
MGG
N
F
T
I
P
M
D
L
M
TTIDSTEHYSG
Y
P
I
L
T
W
ISSPDNSYNGP
F
M
S
W
Y
FANWPNLPSGFGPLNSD
N
T
V
T
Y
T
G
S
V
V
S
Q
VSA
G
V
Y
A
T
V
R
F
DQYDIHN
L
R
T
I
E
K
T
W
Y
A
RHATLHNG
K
K
I
S
INNVTEMAPTSPIKTN
56
81.67
100%
3
- C- -
M056
-
A:
[2-326]
M
I
F
L
A
I
L
D
L
K
S
L
V
L
N
A
I
N
Y
W
G
P
K
N
N
N
G
I
Q
G
G
D
F
G
Y
P
I
S
E
K
Q
I
D
T
S
I
I
T
S
T
H
P
R
L
I
P
H
D
L
T
I
P
Q
N
L
E
T
I
F
T
T
T
Q
V
L
T
N
N
T
D
L
Q
Q
S
Q
T
V
S
F
A
K
K
T
T
T
T
T
S
T
S
T
T
N
G
W
T
E
G
G
K
I
S
D
T
L
E
E
K
V
S
V
S
I
P
F
I
G
E
G
G
G
K
N
S
T
T
I
E
A
N
F
A
H
N
S
S
T
T
T
F
Q
Q
A
S
T
D
I
E
W
N
I
S
Q
P
V
L
V
P
P
R
K
Q
V
V
A
T
L
V
I
M
G
G
N
F
T
I
P
M
D
L
M
T
T
I
D
S
T
E
H
Y
S
G
Y
P
I
L
T
W
I
S
S
P
D
N
S
Y
N
G
P
F
M
S
W
Y
F
A
N
W
P
N
L
P
S
G
F
G
P
L
N
S
D
N
T
V
T
Y
T
G
S
V
V
S
Q
V
S
A
G
V
Y
A
T
V
R
F
D
Q
Y
D
I
H
N
L
R
T
I
E
K
T
W
Y
A
R
H
A
T
L
H
N
G
K
K
I
S
I
N
N
V
T
E
M
A
P
T
S
P
I
K
T
N
60
77.76
100%
7
- C- -
M060
-
A:
[2-330]
M
I
F
L
A
I
L
D
L
K
S
L
V
L
N
A
I
N
Y
W
G
P
K
N
N
N
G
I
Q
G
G
D
F
G
Y
P
I
S
E
K
Q
I
D
T
S
I
I
T
S
T
H
P
R
L
I
P
H
D
L
T
I
P
Q
N
L
E
T
I
F
T
T
T
Q
V
L
T
N
N
T
D
L
Q
Q
S
Q
T
V
S
F
A
K
K
T
T
T
T
T
S
T
S
T
T
N
G
W
T
E
G
G
K
I
S
D
T
L
E
E
K
V
S
V
S
I
P
F
I
G
E
G
G
G
K
N
S
T
T
I
E
A
N
F
A
H
N
S
S
T
T
T
F
Q
Q
A
S
T
D
I
E
W
N
I
S
Q
P
V
L
V
P
P
R
K
Q
V
V
A
T
L
V
I
M
G
G
N
F
T
I
P
M
D
L
M
T
T
I
D
S
T
E
H
Y
S
G
Y
P
I
L
T
W
I
S
S
P
D
N
S
Y
N
G
P
F
M
S
W
Y
F
A
N
W
P
N
L
P
S
G
F
G
P
L
N
S
D
N
T
V
T
Y
T
G
S
V
V
S
Q
V
S
A
G
V
Y
A
T
V
R
F
D
Q
Y
D
I
H
N
L
R
T
I
E
K
T
W
Y
A
R
H
A
T
L
H
N
G
K
K
I
S
I
N
N
V
T
E
M
A
P
T
S
P
I
K
T
N
51
74.73
100%
3
- C- -
M051
-
A:
[5-325]
M
I
F
L
A
I
L
D
L
K
S
L
V
L
N
A
I
N
Y
W
G
P
K
N
N
N
G
I
Q
G
G
D
F
G
Y
P
I
S
E
K
Q
I
D
T
S
I
I
T
S
T
H
P
R
L
I
P
H
D
L
T
I
P
Q
N
L
E
T
I
F
T
T
T
Q
V
L
T
N
N
T
D
L
Q
Q
S
Q
T
V
S
F
A
K
K
T
T
T
T
T
S
T
S
T
T
N
G
W
T
E
G
G
K
I
S
D
T
L
E
E
K
V
S
V
S
I
P
F
I
G
E
G
G
G
K
N
S
T
T
I
E
A
N
F
A
H
N
S
S
T
T
T
F
Q
Q
A
S
T
D
I
E
W
N
I
S
Q
P
V
L
V
P
P
R
K
Q
V
V
A
T
L
V
I
M
G
G
N
F
T
I
P
M
D
L
M
T
T
I
D
S
T
E
H
Y
S
G
Y
P
I
L
T
W
I
S
S
P
D
N
S
Y
N
G
P
F
M
S
W
Y
F
A
N
W
P
N
L
P
S
G
F
G
P
L
N
S
D
N
T
V
T
Y
T
G
S
V
V
S
Q
V
S
A
G
V
Y
A
T
V
R
F
D
Q
Y
D
I
H
N
L
R
T
I
E
K
T
W
Y
A
R
H
A
T
L
H
N
G
K
K
I
S
I
N
N
V
T
E
M
A
P
T
S
P
I
K
T
N