@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 : T0788: (2014-05-21 )
AENLWVTVYYGVPVWKDAETTLFCASDAKAYETEKHNVWATHACVPTDPNPQEIHLENVTEEFNMWKNNMVEQMHTDIISLWDQSLKPCVKLTPLCVTLQCTNVTNNITDDMRGELKNCSFNMTTELRDKKQKVYSLFYRLDVVQINENQGNRSNNSNKEYRLINCNTSAITQACPKVSFEPIPIHYCAPAGFAILKCKDKKFNGTGPCPSVSTVQCTHGIKPVVSTQLLLNGSLAEEEVMIRSENITNNAKNILVQFNTPVQINCTRPNNNTRKSIRIGPGQAFYATGDIIGDIRQAHCNVSKATWNETLGKVVKQLRKHFGNNTIIRFANSSGGDLEVTTHSFNCGGEFFYCNTSGLFNSTWISNTSVQGSNSTGSNDSITLPCRIKQIINMWQRIGQAMYAPPIQGVIRCVSNITGLILTRDGGSTNSTTETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTRCKRRVVGRRRRRR
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.......420.......---430........440.......450.......460.......470.......480
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
AE
N
L
W
V
T
V
Y
YGVPVWKDAE
T
T
L
F
CASDAKAYETEK
H
N
V
W
A
T
HACVPTDP
N
P
Q
E
I
H
L
E
N
V
T
E
E
F
N
M
W
K
N
N
M
V
E
Q
M
H
T
D
I
I
S
L
W
D
Q
S
LK
P
C
VKLT
P
L
C
V
T
L
Q
CTNVTNNI
T
D
D
M
R
G
E
L
KNCSFNM
T
T
E
L
R
D
K
K
Q
K
V
Y
S
L
F
Y
R
L
D
V
V
Q
INENQGNRSNNSNK
E
Y
R
L
I
NC
N
T
S
A
I
T
Q
ACPKVSFEP
I
P
I
H
Y
CAPA
G
F
A
I
L
K
CKDKKFNGTGPCPSV
S
T
V
Q
CTHGIKPV
V
S
T
Q
L
L
LNGSLAE
E
E
V
M
I
RSENITNNA
K
N
I
L
V
Q
FNT
P
V
Q
I
N
C
TRPNNNT
R
K
S
I
RIGPG
Q
A
F
Y
AT
G
D
I
I
G
D
I
R
Q
A
HCNVSKA
T
W
N
E
T
L
G
K
V
V
K
Q
L
R
K
HFG-NN
T
I
I
R
F
ANSSGG
D
L
E
V
T
T
H
S
FNCG
G
E
F
F
Y
CNTSGLFN
S
T
WISNTSVQGSNSTGSND
S
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
R
I
G
Q
A
MYAP
P
I
Q
G
V
I
R
C
V
S
NI
T
G
L
I
L
TRDGGST---NS-TT
E
T
FRPGGGDM
R
D
N
W
R
S
EL
Y
K
Y
K
V
V
K
I
EPLGV
A
P
T
R
C
K
R
R
V
V
G
R
R
RRRR
42
HHSearch
99.66
77%
-92
- C4 -
4JZZ
13
ENV_HV1Y2
A:
[25-376]
-------------
V
W
K
E
A
T
T
T
L
F
C
A
S
D
A
K
A
Y
D
T
E
V
H
N
V
W
A
T
H
A
C
V
P
T
D
P
N
P
Q
E
V
K
L
E
N
V
T
E
N
F
N
M
W
K
N
N
M
V
E
Q
M
H
E
D
I
I
S
L
W
D
Q
S
L
K
P
C
V
K
L
T
G
-------------------------------------------------------------------------
G
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
D
K
K
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
I
V
I
R
S
E
N
F
T
N
N
A
K
T
I
I
V
Q
L
N
E
S
V
V
I
N
C
T
R
P
N
N
----------------------
D
I
R
Q
A
H
C
N
L
S
K
T
Q
W
E
N
T
L
E
Q
I
A
I
K
L
K
E
Q
F
G
N
N
K
T
-
I
I
F
N
P
S
S
G
G
D
P
E
I
V
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
--
T
W
N
D
T
-----------
G
R
N
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
E
V
G
K
A
M
Y
A
P
P
I
R
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
------
N
-
G
T
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------
21
Fugue
92.14
68%
-82
- C4 -
3JWD
10
?
A:
[1-369]
T
E
K
L
W
V
T
V
Y
Y
G
V
P
V
W
K
E
A
T
T
T
L
F
C
A
S
D
A
K
A
Y
D
T
E
V
H
N
V
W
A
T
H
A
C
V
---------------------------------------------
P
T
D
P
N
P
Q
E
---------------
V
V
L
V
N
V
T
E
N
F
N
M
W
K
N
D
M
V
E
Q
M
H
E
D
I
I
S
L
W
D
Q
-------------
S
L
K
P
C
V
K
L
T
G
G
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
N
K
T
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
S
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
V
N
F
T
D
N
A
K
T
I
I
V
Q
L
N
T
S
V
E
I
N
C
T
------------
G
A
G
----------------
H
C
N
I
A
R
A
K
W
N
N
T
L
K
Q
I
A
S
K
L
R
E
Q
F
G
-
N
N
K
T
I
I
F
K
Q
S
S
G
G
D
P
E
I
V
T
H
W
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
N
S
T
W
--------
F
N
S
T
E
G
S
D
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
K
V
G
K
A
M
Y
A
P
P
I
S
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
N
S
---
N
N
-
E
S
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
P
L
G
V
A
P
T
K
A
------------
23
Fugue
89.39
77%
-85
- C4 -
1G9M
13
?
G:
[5-321]
----------------------------------------------------
E
V
V
L
V
N
V
T
E
N
F
N
M
W
K
N
D
M
V
E
Q
M
H
E
D
I
I
S
L
W
D
Q
S
L
K
P
C
V
K
L
T
P
L
C
V
G
A
G
S
----------------------------------------------------------------
C
N
T
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
N
K
T
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
V
N
F
T
D
N
A
K
T
I
I
V
Q
L
N
T
S
V
E
I
N
C
T
G
A
G
----------------------------
H
C
N
I
S
R
A
K
W
N
N
T
L
K
Q
I
A
S
K
L
R
E
Q
F
G
-
N
N
K
T
I
I
F
K
Q
S
S
G
G
D
P
E
I
V
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
N
S
T
W
-------
F
N
----
G
S
D
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
K
V
G
K
A
M
Y
A
P
P
I
S
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
N
S
---
N
N
-
E
S
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------
43
HHSearch
87.43
73%
-90
- C4 -
3LQA
4
?
G:
[4-323]
-------------------------------------------------------
L
E
N
V
I
E
N
F
N
M
W
K
N
D
M
V
D
Q
M
H
Q
D
I
I
S
L
W
D
Q
S
L
K
P
C
V
K
L
T
P
------------------------------------------------------------------------
N
T
S
T
I
A
Q
A
C
P
K
V
S
F
D
P
I
P
I
H
Y
C
A
P
A
G
Y
A
I
L
K
C
N
D
K
T
F
N
G
I
G
P
C
N
N
V
S
T
V
Q
C
T
H
G
I
K
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
E
N
I
S
N
N
V
K
T
I
I
V
H
L
T
E
S
V
N
I
T
C
I
-------------------------
G
----
G
H
C
N
I
N
E
K
A
W
N
E
T
L
K
K
V
V
E
K
L
V
K
Y
F
P
-
N
K
T
I
-
E
F
A
P
P
V
G
G
D
L
E
I
T
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
T
T
K
L
F
N
S
I
H
N
S
---------------
I
T
L
P
C
R
I
R
Q
I
I
N
M
W
Q
E
V
G
R
A
M
Y
A
P
P
S
K
G
N
I
T
C
I
S
D
I
T
G
L
L
L
T
R
D
G
G
E
N
KTE
N
N
-
D
T
E
I
F
R
P
G
G
G
D
M
K
D
N
W
R
S
E
L
Y
K
Y
K
V
V
E
I
----------------------
1
PsiBlast_PDB
87.17
75%
-98
- C4 -
2B4C
3
?
G:
[53-344]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
C
D
T
S
V
I
T
Q
A
C
P
K
I
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
D
K
T
F
N
G
K
G
P
C
K
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
D
N
F
T
N
N
A
K
T
I
I
V
Q
L
K
E
S
V
E
I
N
C
T
R
P
N
Q
N
T
R
K
S
I
H
I
G
P
G
R
A
F
Y
T
T
G
E
I
I
G
D
I
R
Q
A
H
C
N
I
S
R
A
K
W
N
D
T
L
K
Q
I
V
I
K
L
R
E
Q
F
E
-
N
K
T
I
V
-
F
N
H
S
S
G
G
D
P
E
I
V
M
H
S
F
N
C
G
G
E
F
F
Y
C
N
S
A
Q
L
F
N
S
T
W
N
N
N
T
--
E
G
S
N
N
T
E
G
N
-
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
E
V
G
K
A
M
Y
A
P
P
I
R
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
I
N
---
E
N
-
G
T
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------
22
Fugue
85.37
76%
-85
- C4 -
1GC1
7
ENV_HV1H2
G:
[12-321]
-----------------------------------------------------------
T
E
N
F
N
M
W
K
N
D
M
V
E
Q
M
H
E
D
I
I
S
L
W
D
Q
S
L
K
P
C
V
K
L
T
P
L
C
V
G
A
-----------------
G
S
C
N
T
S
V
I
T
-----------------------------------------------
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
N
K
T
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
V
N
F
T
D
N
A
K
T
I
I
V
Q
L
N
T
S
V
E
I
N
C
T
G
A
G
----------------------------
H
C
N
I
S
R
A
K
W
N
N
T
L
K
Q
I
A
S
K
L
R
E
Q
F
G
-
N
N
K
T
I
I
F
K
Q
S
S
G
G
D
P
E
I
V
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
N
S
T
W
------------
F
G
S
D
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
K
V
G
K
A
M
Y
A
P
P
I
S
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
N
S
---
N
N
-
E
S
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------
4
PsiBlast_PDB
83.82
72%
-92
- C4 -
4JM2
6
?
E:
[44-320]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
C
D
T
S
V
I
T
Q
A
C
P
K
I
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
D
K
T
F
N
G
K
G
P
C
K
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
D
N
F
T
N
N
A
K
T
I
I
V
Q
L
K
E
S
V
E
I
N
C
T
R
P
N
N
N
T
------------------
I
G
D
I
R
Q
A
H
C
N
I
S
R
A
K
W
N
D
T
L
K
Q
I
V
I
K
L
R
E
Q
F
E
-
N
K
T
I
V
-
F
N
H
S
S
G
G
D
P
E
I
V
M
H
S
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
N
S
T
W
N
N
N
T
--
E
G
S
N
N
T
E
G
N
-
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
E
V
G
K
A
M
Y
A
P
P
I
R
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
I
N
---
E
N
-
G
T
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
----------------------
6
PsiBlast_PDB
83.41
73%
-92
- C4 -
4J6R
13
?
G:
[83-359]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
A
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
T
P
A
G
F
A
I
L
K
C
K
D
E
G
F
N
G
T
G
L
C
K
N
V
S
T
V
Q
C
T
H
G
I
K
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
K
N
I
T
I
R
S
E
N
I
T
N
N
A
K
I
I
I
V
Q
L
V
Q
P
V
T
I
K
C
I
R
-------------------------
D
I
R
Q
A
H
C
N
V
T
R
S
R
W
N
K
T
L
Q
E
V
A
E
K
L
R
T
Y
F
G
-
N
K
T
I
I
-
F
A
N
S
S
G
G
D
L
E
I
T
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
T
S
G
L
F
N
S
T
W
Y
V
N
S
T
W
N
D
T
-----
N
D
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
R
A
G
Q
A
M
Y
A
P
P
I
P
G
V
I
K
C
E
S
N
I
T
G
L
L
L
T
R
D
G
G
K
D
---
N
N
-
V
N
E
T
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
E
I
E
---------------------
31
SP3
82.66
48%
-85
- C4 -
1G9M
13
?
G:
[5-321]
----------------------------------------------------
E
V
V
L
V
N
V
T
E
N
F
N
M
W
K
N
D
M
V
E
Q
M
H
E
D
I
I
S
L
W
D
Q
S
L
K
P
C
V
K
L
T
----------------------------------------------------------------
P
L
C
V
G
A
G
S
C
N
T
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
N
K
T
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
V
N
F
T
D
N
A
K
T
I
I
V
Q
L
N
T
S
V
E
I
N
C
T
------------
G
A
G
----------------
H
C
N
I
S
R
A
K
W
N
N
T
L
K
Q
I
A
S
K
L
R
E
Q
F
G
-
N
N
K
T
I
I
F
K
Q
S
S
G
G
D
P
E
I
V
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
N
S
T
W
F
-----------
N
G
S
D
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
K
V
G
K
A
M
Y
A
P
P
I
S
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
N
S
---
N
N
-
E
S
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------
2
PsiBlast_PDB
82.52
75%
-95
- C4 -
2QAD
26
ENV_HV1Y2
A:
[38-322]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
D
K
K
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
I
V
I
R
S
E
N
F
T
N
N
A
K
T
I
I
V
Q
L
N
E
S
V
V
I
N
C
T
R
P
N
N
N
T
R
K
S
I
N
I
G
P
G
R
A
L
Y
T
T
G
E
I
I
G
D
I
R
Q
A
H
C
N
L
S
K
T
Q
W
E
N
T
L
E
Q
I
A
I
K
L
K
E
Q
F
G
-
N
N
K
T
I
I
F
N
P
S
S
G
G
D
P
E
I
V
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
--
T
W
---
N
D
T
R
--
N
N
T
G
R
N
--
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
E
V
G
K
A
M
Y
A
P
P
I
R
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
K
D
---
T
N
-
G
T
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------
18
PsiBlast_PDB
81.86
67%
-95
- C4 -
3IDX
18
?
G:
[49-317]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
C
N
T
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
N
K
T
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
S
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
C
N
F
T
D
N
A
K
T
I
I
V
Q
L
N
T
S
V
E
I
N
C
T
------------
G
A
G
----------------
H
C
N
I
A
R
A
K
W
N
N
T
L
K
Q
I
A
S
K
L
R
E
Q
F
G
-
N
N
K
T
I
I
F
K
Q
S
S
G
G
D
P
E
I
V
T
H
W
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
N
S
T
W
F
N
S
----------
G
S
D
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
C
K
V
G
K
M
M
Y
A
P
P
I
S
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
N
S
---
N
N
-
E
S
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------
3
PsiBlast_PDB
81.47
75%
-92
- C4 -
3HI1
14
ENV_HV1Y2
G:
[37-321]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
D
K
K
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
I
V
I
R
S
E
N
F
T
N
N
A
K
T
I
I
V
Q
L
N
E
S
V
V
I
N
C
T
R
P
N
N
------------------------
R
Q
A
H
C
N
L
S
K
T
Q
W
E
N
T
L
E
Q
I
A
I
K
L
K
E
Q
F
G
-
N
N
K
T
I
I
F
N
P
S
S
G
G
D
P
E
I
V
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
--
T
W
---
N
D
--------
R
N
--
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
E
V
G
K
A
M
Y
A
P
P
I
R
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
K
D
---
T
N
-
G
T
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------
15
PsiBlast_PDB
81.40
67%
-101
- C4 -
2NY1
13
?
A:
[49-317]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
C
N
T
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
N
K
T
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
S
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
V
N
F
T
D
N
A
K
T
I
I
V
Q
L
N
T
S
V
E
I
N
C
T
------------
G
A
G
----------------
H
C
N
I
A
R
A
K
W
N
N
T
L
K
Q
I
A
S
K
L
R
E
Q
F
G
-
N
N
K
T
I
I
F
K
Q
S
S
G
G
D
P
E
I
V
T
H
W
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
N
S
T
W
F
N
-----------
G
S
D
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
C
K
V
G
K
A
M
Y
A
P
P
I
S
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
N
S
---
N
N
-
E
S
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------
5
PsiBlast_PDB
81.13
67%
-89
- C4 -
3JWD
9
?
A:
[96-369]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
N
K
T
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
S
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
V
N
F
T
D
N
A
K
T
I
I
V
Q
L
N
T
S
V
E
I
N
C
T
------------
G
A
G
----------------
H
C
N
I
A
R
A
K
W
N
N
T
L
K
Q
I
A
S
K
L
R
E
Q
F
G
-
N
N
K
T
I
I
F
K
Q
S
S
G
G
D
P
E
I
V
T
H
W
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
N
S
T
W
F
N
S
--------
T
E
G
S
D
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
K
V
G
K
A
M
Y
A
P
P
I
S
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
N
S
---
N
N
-
E
S
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
P
L
G
V
A
P
T
K
A
------------
20
PsiBlast_PDB
80.96
67%
-100
- C4 -
2NY4
13
ENV_HV1MF
A:
[49-316]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
C
N
T
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
N
C
T
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
S
Q
L
L
L
N
G
S
L
A
E
C
E
V
V
I
R
S
V
N
F
T
D
N
A
K
T
I
I
V
Q
L
N
T
S
V
E
I
N
C
T
------------
G
A
G
----------------
H
C
N
I
A
R
A
K
W
N
N
T
L
K
Q
I
A
S
K
L
R
E
Q
F
G
-
N
N
K
T
I
I
F
K
Q
S
S
G
G
D
P
E
I
V
T
H
W
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
N
S
T
W
F
N
S
T
---------
G
S
D
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
K
V
G
K
A
M
Y
A
P
P
I
S
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
N
S
---
N
N
-
E
S
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
----------------------
7
PsiBlast_PDB
80.79
71%
-95
- C4 -
4LSS
12
?
G:
[83-359]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
A
I
T
Q
A
C
P
K
V
T
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
K
D
E
E
F
N
G
T
G
L
C
K
N
V
S
T
V
Q
C
T
H
G
I
K
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
K
E
I
R
I
K
S
E
N
I
S
D
N
A
K
T
I
I
V
Q
L
T
K
P
V
L
I
N
C
A
R
P
S
-------
G
---------------
D
I
R
Q
A
Y
C
V
V
N
R
T
Q
W
N
D
T
L
G
Q
V
A
I
Q
L
R
K
H
W
---
N
T
T
I
I
F
N
E
P
S
G
G
D
L
E
I
T
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
T
S
D
L
F
N
S
T
W
--------------
N
D
N
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
R
V
G
Q
A
M
Y
A
P
P
I
Q
G
V
I
R
C
Q
S
N
I
T
G
I
L
L
T
R
D
G
G
N
T
-----R
T
N
E
T
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------
11
PsiBlast_PDB
80.78
68%
-97
- C4 -
2NXY
16
?
A:
[50-316]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
C
N
T
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
N
K
T
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
V
N
F
T
D
N
A
K
T
I
I
V
Q
L
N
T
S
V
E
I
N
C
T
------------
G
A
G
----------------
H
C
N
I
A
R
A
K
W
N
N
T
L
K
Q
I
A
S
K
L
R
E
Q
F
G
-
N
N
K
T
I
I
F
K
Q
S
S
G
G
D
P
E
I
V
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
N
S
T
W
F
N
-----------
G
S
D
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
K
V
G
K
A
M
Y
A
P
P
I
S
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
N
S
---
N
N
-
E
S
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
----------------------
14
PsiBlast_PDB
80.75
67%
-98
- C4 -
2NY2
13
ENV_HV1MF
A:
[49-316]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
C
N
T
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
N
K
T
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
S
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
V
N
F
T
D
N
A
K
T
I
I
V
Q
L
N
T
S
V
E
I
N
C
T
------------
G
A
G
----------------
H
C
N
I
A
R
A
K
W
N
N
T
L
K
Q
I
A
S
K
L
R
E
Q
F
G
-
N
N
K
T
I
I
F
K
Q
S
S
G
G
D
P
E
I
V
T
H
W
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
N
S
T
W
F
N
-----------
G
S
D
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
K
V
C
K
A
M
Y
A
P
P
I
S
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
N
S
---
N
N
-
E
S
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
----------------------
13
PsiBlast_PDB
80.41
67%
-98
- C4 -
2NY0
12
ENV_HV1MF
A:
[50-316]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
C
N
T
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
N
K
T
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
S
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
C
N
F
T
D
N
A
K
T
I
I
V
Q
L
N
T
S
V
E
I
N
C
T
------------
G
A
G
----------------
H
C
N
I
A
R
A
K
W
N
N
T
L
K
Q
I
A
S
K
L
R
E
Q
F
G
-
N
N
K
T
I
I
F
K
Q
S
S
G
G
D
P
E
I
V
T
H
W
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
N
S
T
W
F
N
S
T
---------
G
S
D
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
K
V
G
K
M
M
Y
A
P
P
I
S
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
N
S
---
N
N
-
E
S
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
----------------------
17
PsiBlast_PDB
80.40
67%
-102
- C4 -
2NY5
9
ENV_HV1MF
G:
[49-316]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
C
N
T
S
V
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
N
N
K
T
F
N
G
T
G
P
C
T
N
V
S
T
V
Q
C
T
H
G
I
R
P
V
V
S
S
Q
L
L
L
N
G
S
L
A
E
E
E
V
V
I
R
S
C
N
F
T
D
N
A
K
T
I
I
V
Q
L
N
T
S
V
E
I
N
C
T
------------
G
A
G
----------------
H
C
N
I
A
R
A
K
W
N
N
T
L
K
Q
I
A
S
K
L
R
E
Q
F
G
-
N
N
K
T
I
I
F
K
Q
S
S
G
G
D
P
E
I
V
T
H
W
F
N
C
G
G
E
F
F
Y
C
N
S
T
Q
L
F
N
S
T
W
F
N
-----------
G
S
D
T
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
C
K
V
G
K
M
M
Y
A
P
P
I
S
G
Q
I
R
C
S
S
N
I
T
G
L
L
L
T
R
D
G
G
N
S
---
N
N
-
E
S
E
I
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
----------------------
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.......380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
AE
N
L
W
V
T
V
Y
YGVPVWKDAE
T
T
L
F
CASDAKAYETEK
H
N
V
W
A
T
HACVPTDP
N
P
Q
E
I
H
L
E
N
V
T
E
E
F
N
M
W
K
N
N
M
V
E
Q
M
H
T
D
I
I
S
L
W
D
Q
S
LK
P
C
VKLT
P
L
C
V
T
L
Q
CTNVTNNI
T
D
D
M
R
G
E
L
KNCSFNM
T
T
E
L
R
D
K
K
Q
K
V
Y
S
L
F
Y
R
L
D
V
V
Q
INENQGNRSNNSNK
E
Y
R
L
I
NC
N
T
S
A
I
T
Q
ACPKVSFEP
I
P
I
H
Y
CAPA
G
F
A
I
L
K
CKDKKFNGTGPCPSV
S
T
V
Q
CTHGIKPV
V
S
T
Q
L
L
LNGSLAE
E
E
V
M
I
RSENITNNA
K
N
I
L
V
Q
FNT
P
V
Q
I
N
C
TRPNNNT
R
K
S
I
RIGPG
Q
A
F
Y
AT
G
D
I
I
G
D
I
R
Q
A
HCNVSKA
T
W
N
E
T
L
G
K
V
V
K
Q
L
R
K
HFGNN
T
I
I
R
F
ANSSGG
D
L
E
V
T
T
H
S
FNCG
G
E
F
F
Y
CNTSGLFN
S
T
WISNTSVQGSNSTGSND
S
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
R
I
G
Q
A
MYAP
P
I
Q
G
V
I
R
C
V
S
NI
T
G
L
I
L
TRDGGSTNSTT
E
T
FRPGGGDM
R
D
N
W
R
S
EL
Y
K
Y
K
V
V
K
I
EPLGV
A
P
T
R
C
K
R
R
V
V
G
R
R
RRRR
85
99.31
100%
-80
- C- -
M085
-
A:
[14-461]
-------------
V
W
K
D
A
E
T
T
L
F
C
A
S
D
A
K
A
Y
E
T
E
K
H
N
V
W
A
T
H
A
C
V
P
T
D
P
N
P
Q
E
I
H
L
E
N
V
T
E
E
F
N
M
W
K
N
N
M
V
E
Q
M
H
T
D
I
I
S
L
W
D
Q
S
L
K
P
C
V
K
L
T
P
L
C
V
T
L
Q
C
--------------------------------------------------------
N
K
E
Y
R
L
I
N
C
N
T
S
A
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
K
D
K
K
F
N
G
T
G
P
C
P
S
V
S
T
V
Q
C
T
H
G
I
K
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
V
M
I
R
S
E
N
I
T
N
N
A
K
N
I
L
V
Q
F
N
T
P
V
Q
I
N
C
T
R
P
N
N
--------
G
P
G
-----------
D
I
R
Q
A
H
C
N
V
S
K
A
T
W
N
E
T
L
G
K
V
V
K
Q
L
R
K
H
F
G
N
N
T
I
I
R
F
A
N
S
S
G
G
D
L
E
V
T
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
T
S
G
L
F
N
S
T
W
I
S
N
T
S
V
Q
G
S
N
S
T
G
S
N
D
S
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
R
I
G
Q
A
M
Y
A
P
P
I
Q
G
V
I
R
C
V
S
N
I
T
G
L
I
L
T
R
D
G
G
S
T
N
S
T
T
E
T
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------
83
99.11
100%
-84
- C- -
M083
-
A:
[14-461]
-------------
V
W
K
D
A
E
T
T
L
F
C
A
S
D
A
K
A
Y
E
T
E
K
H
N
V
W
A
T
H
A
C
V
P
T
D
P
N
P
Q
E
I
H
L
E
N
V
T
E
E
F
N
M
W
K
N
N
M
V
E
Q
M
H
T
D
I
I
S
L
W
D
Q
S
L
K
P
C
V
K
L
T
P
----------------------------------------------------------------------
N
C
N
T
S
A
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
K
D
K
K
F
N
G
T
G
P
C
P
S
V
S
T
V
Q
C
T
H
G
I
K
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
V
M
I
R
S
E
N
I
T
N
N
A
K
N
I
L
V
Q
F
N
T
P
V
Q
I
N
C
T
R
P
N
N
--------
G
P
G
-----------
D
I
R
Q
A
H
C
N
V
S
K
A
T
W
N
E
T
L
G
K
V
V
K
Q
L
R
K
H
F
G
N
N
T
I
I
R
F
A
N
S
S
G
G
D
L
E
V
T
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
T
S
G
L
F
N
S
T
W
I
S
N
----------
S
N
D
S
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
R
I
G
Q
A
M
Y
A
P
P
I
Q
G
V
I
R
C
V
S
N
I
T
G
L
I
L
T
R
D
G
G
S
T
N
S
T
T
E
T
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------
84
97.68
100%
-80
- C- -
M084
-
A:
[14-461]
-------------
V
W
K
D
A
E
T
T
L
F
C
A
S
D
A
K
A
Y
E
T
E
K
H
N
V
W
A
T
H
A
C
V
P
T
D
P
N
P
Q
E
I
H
L
E
N
V
T
E
E
F
N
M
W
K
N
N
M
V
E
Q
M
H
T
D
I
I
S
L
W
D
Q
S
L
K
P
C
V
K
L
T
P
---------------------------------------------------------------
N
K
E
Y
R
L
I
N
C
N
T
S
A
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
K
D
K
K
F
N
G
T
G
P
C
P
S
V
S
T
V
Q
C
T
H
G
I
K
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
V
M
I
R
S
E
N
I
T
N
N
A
K
N
I
L
V
Q
F
N
T
P
V
Q
I
N
C
T
R
P
N
N
--------
G
P
G
-----------
D
I
R
Q
A
H
C
N
V
S
K
A
T
W
N
E
T
L
G
K
V
V
K
Q
L
R
K
H
F
G
N
N
T
I
I
R
F
A
N
S
S
G
G
D
L
E
V
T
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
T
S
G
L
F
N
S
T
W
I
S
N
---------
G
S
N
D
S
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
R
I
G
Q
A
M
Y
A
P
P
I
Q
G
V
I
R
C
V
S
N
I
T
G
L
I
L
T
R
D
G
G
S
T
N
S
T
T
E
T
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------
88
95.95
100%
-79
- C- -
M088
-
A:
[14-461]
-------------
V
W
K
D
A
E
T
T
L
F
C
A
S
D
A
K
A
Y
E
T
E
K
H
N
V
W
A
T
H
A
C
V
P
T
D
P
N
P
Q
E
I
H
L
E
N
V
T
E
E
F
N
M
W
K
N
N
M
V
E
Q
M
H
T
D
I
I
S
L
W
D
Q
S
L
K
P
C
V
K
L
T
P
L
C
V
T
L
Q
C
--------------------------------------------------------
N
K
E
Y
R
L
I
N
C
N
T
S
A
I
T
Q
A
C
P
K
V
S
F
E
P
I
P
I
H
Y
C
A
P
A
G
F
A
I
L
K
C
K
D
K
K
F
N
G
T
G
P
C
P
S
V
S
T
V
Q
C
T
H
G
I
K
P
V
V
S
T
Q
L
L
L
N
G
S
L
A
E
E
E
V
M
I
R
S
E
N
I
T
N
N
A
K
N
I
L
V
Q
F
N
T
P
V
Q
I
N
C
T
R
P
N
N
--------
G
P
G
-----------
D
I
R
Q
A
H
C
N
V
S
K
A
T
W
N
E
T
L
G
K
V
V
K
Q
L
R
K
H
F
G
N
N
T
I
I
R
F
A
N
S
S
G
G
D
L
E
V
T
T
H
S
F
N
C
G
G
E
F
F
Y
C
N
T
S
G
L
F
N
S
T
W
I
S
N
T
S
V
Q
G
S
N
S
T
G
S
N
D
S
I
T
L
P
C
R
I
K
Q
I
I
N
M
W
Q
R
I
G
Q
A
M
Y
A
P
P
I
Q
G
V
I
R
C
V
S
N
I
T
G
L
I
L
T
R
D
G
G
S
T
N
S
T
T
E
T
F
R
P
G
G
G
D
M
R
D
N
W
R
S
E
L
Y
K
Y
K
V
V
K
I
E
---------------------