@TOME V2.3
(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 : bsu25070: (2016-07-09 )
MQVSEITHRTKTRPVKVGPLTIGGNNEVVIQSMTTTKTHDVEATVAEINRLAEAGCQIVRVACPDERAANAIADIKKRISIPLVVDIHFDYKLALKAIEGGADKIRINPGNIGRREKVEAVVKAAKDKGIPIRIGVNAGSLEKRILEKYGYPTADGMVESALHHIKILEDLDFHDIIVSMKASDVNLAIEAYEKAAKAFDYPLHLGITESGTLFAGTVKSAAGLGAILSKGIGNTMRISLSADPVEEVKVARELLKSFGLASNAATLISCPTCGRIEIDLISIANEVEEYISKIKAPIKVAVLGCAVNGPGEAREADIGIAGARGEGLLFRKGKIVRKVPEETMVEELKKEIDILAEEHYAKLEAEKAKLKEETQKA
Atome Classification :
(21 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
Q
V
S
E
I
THRTKTR
P
V
K
V
G
P
L
T
IGGN
N
E
V
V
I
Q
SMTTTKTHD
V
E
A
T
V
A
E
I
N
R
L
A
EAG
C
Q
I
V
R
V
ACP
D
E
R
A
A
N
A
I
A
D
I
K
K
R-----I-----SI
P
L
V
V
D
I
HFD
Y
K
L
A
L
K
---AIEGGA---
D
K
I
R
INPGNIG
R
-
R
----
E
K
V
E
---
A
V
V
K
A
AKDKG
I
P
I
R
I
GVN
A
G
S
L
E
K
R
I
L
E
KYGY-------------PTA-------------
D
G
M
V
E
S
A
L
H
H
I
K
I
L
E
DL
D
F
H
--
D
--
I
I
V
S
M
KASDV
N
L
A
I
E
A
Y
E
K
A
A
K
AFDYP
L
H
LGITESG
T
L
F
A
G
T
V
K
SAA
G
L
G
A
I
L
S
KGIG
N
T
M
R
I
S
LSAD
P
----
V
E
----
E
V
K
V
A
R
E
L
L
K
SFGLASN
A
A
T
L
I
SCPTC
G
R
I
E
I
D
-
L
I
S
-----
I
A
N
E
V
E
E
Y
I
S
K
I----------KA------
P
I
K
V
A
V
L
G
C
AVNGPGEAREADIGI----AGA-RGE---
G
L
L
FRK
G
K
I
V
R
KV
P
E
E
T
M
V
E
E
L
K
K
E
I
D
I
L
A
E
E
H
Y
A
K
L
E
A
E
K
A
K
L
K
E
E
TQKA
24
PsiBlast_CBE
77.76
50%
-100
- C1 -
3NOY
2
ISPG_AQUAE
C:
[10-357]
-----
M
I
Q
K
R
K
T
R
Q
I
R
V
G
N
V
K
I
G
G
D
A
P
I
V
V
Q
S
M
T
S
T
K
T
H
D
V
E
A
T
L
N
Q
I
K
R
L
Y
E
A
G
C
E
I
V
R
V
A
V
P
H
K
E
D
V
E
A
L
E
E
I
V
K
K
-----
S
-----
P
M
P
V
I
A
D
I
H
F
A
P
S
Y
A
F
L
---
S
M
E
K
G
V
---
H
G
I
R
I
N
P
G
N
I
G
K
-
E
----
E
I
V
R
---
E
I
V
E
E
A
K
R
R
G
V
A
V
R
I
G
V
N
S
G
S
L
E
K
D
L
L
E
K
Y
G
Y
-------------
P
S
A
-------------
E
A
L
A
E
S
A
L
R
W
S
E
K
F
E
K
W
G
F
T
--
N
--
Y
K
V
S
I
K
G
S
D
V
L
Q
N
V
R
A
N
L
I
F
A
E
R
T
D
V
P
L
H
I
G
I
T
E
A
G
M
G
T
K
G
I
I
K
S
S
V
G
I
G
I
L
L
Y
M
G
I
G
D
T
V
R
V
S
L
T
D
D
P
----
V
V
----
E
V
E
T
A
Y
E
I
L
K
S
L
G
L
R
R
R
G
V
E
I
V
A
C
P
T
C
G
R
I
E
V
D
-
L
P
K
-----
V
V
K
E
V
Q
E
K
L
S
G
V
----------
K
T
------
P
L
K
V
A
V
M
G
C
V
V
N
A
I
G
E
A
R
E
A
D
I
G
L
----
A
C
G
-
R
G
F
---
A
W
L
F
K
H
G
K
P
I
K
K
V
D
E
S
E
M
V
D
E
L
L
K
E
I
Q
------------------------
22
PsiBlast_CBE
77.60
90%
-100
- C1 -
4MWA
5
ISPG_BACAN
F:
[8-266]
------
T
H
R
T
K
T
R
P
V
K
V
G
N
L
T
I
G
G
N
N
E
L
I
I
Q
S
M
T
T
T
K
T
H
D
V
E
A
T
V
A
E
I
K
R
L
E
E
A
G
C
Q
V
V
R
V
A
V
P
D
E
R
A
A
N
A
I
A
D
I
K
K
Q
-----
I
-----
N
I
P
L
V
A
D
I
H
F
D
Y
R
L
A
L
K
---
A
I
E
G
G
I
---
D
K
V
R
I
N
P
G
N
I
G
R
-
R
----
H
K
V
E
---
A
V
V
N
A
A
K
E
R
G
I
P
I
R
I
G
V
N
A
G
S
L
E
R
H
I
L
E
K
Y
G
Y
-------------
P
T
A
-------------
D
G
M
V
E
S
A
L
H
H
I
K
I
L
E
D
L
D
F
H
--
D
--
I
I
V
S
M
K
A
S
D
V
N
L
A
I
E
A
Y
E
K
A
A
R
A
F
D
Y
P
L
H
L
G
I
T
E
S
G
T
L
F
A
G
T
V
K
S
A
A
G
L
G
A
I
L
N
K
G
I
G
N
T
L
R
I
S
L
S
A
D
P
----
V
E
----
E
V
K
V
A
R
E
L
L
K
S
F
G
L
A
S
N
A
A
----------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
77.29
50%
-96
- C1 -
3NOY
2
ISPG_AQUAE
D:
[11-357]
------
I
Q
K
R
K
T
R
Q
I
R
V
G
N
V
K
I
G
G
D
A
P
I
V
V
Q
S
M
T
S
T
K
T
H
D
V
E
A
T
L
N
Q
I
K
R
L
Y
E
A
G
C
E
I
V
R
V
A
V
P
H
K
E
D
V
E
A
L
E
E
I
V
K
K
-----
S
-----
P
M
P
V
I
A
D
I
H
F
A
P
S
Y
A
F
L
---
S
M
E
K
G
V
---
H
G
I
R
I
N
P
G
N
I
G
K
-
E
----
E
I
V
R
---
E
I
V
E
E
A
K
R
R
G
V
A
V
R
I
G
V
N
S
G
S
L
E
K
D
L
L
E
K
Y
G
Y
-------------
P
S
A
-------------
E
A
L
A
E
S
A
L
R
W
S
E
K
F
E
K
W
G
F
T
--
N
--
Y
K
V
S
I
K
G
S
D
V
L
Q
N
V
R
A
N
L
I
F
A
E
R
T
D
V
P
L
H
I
G
I
T
E
A
G
M
G
T
K
G
I
I
K
S
S
V
G
I
G
I
L
L
Y
M
G
I
G
D
T
V
R
V
S
L
T
D
D
P
----
V
V
----
E
V
E
T
A
Y
E
I
L
K
S
L
G
L
R
R
R
G
V
E
I
V
A
C
P
T
C
G
R
I
E
V
D
-
L
P
K
-----
V
V
K
E
V
Q
E
K
L
S
G
V
----------
K
T
------
P
L
K
V
A
V
M
G
C
V
V
N
A
I
G
E
A
R
E
A
D
I
G
L
----
A
C
G
-
R
G
F
---
A
W
L
F
K
H
G
K
P
I
K
K
V
D
E
S
E
M
V
D
E
L
L
K
E
I
Q
------------------------
25
PsiBlast_CBE
77.16
50%
-101
- C1 -
3NOY
2
ISPG_AQUAE
B:
[10-357]
-----
M
I
Q
K
R
K
T
R
Q
I
R
V
G
N
V
K
I
G
G
D
A
P
I
V
V
Q
S
M
T
S
T
K
T
H
D
V
E
A
T
L
N
Q
I
K
R
L
Y
E
A
G
C
E
I
V
R
V
A
V
P
H
K
E
D
V
E
A
L
E
E
I
V
K
K
-----
S
-----
P
M
P
V
I
A
D
I
H
F
A
P
S
Y
A
F
L
---
S
M
E
K
G
V
---
H
G
I
R
I
N
P
G
N
I
G
K
-
E
----
E
I
V
R
---
E
I
V
E
E
A
K
R
R
G
V
A
V
R
I
G
V
N
S
G
S
L
E
K
D
L
L
E
K
Y
G
Y
-------------
P
S
A
-------------
E
A
L
A
E
S
A
L
R
W
S
E
K
F
E
K
W
G
F
T
--
N
--
Y
K
V
S
I
K
G
S
D
V
L
Q
N
V
R
A
N
L
I
F
A
E
R
T
D
V
P
L
H
I
G
I
T
E
A
G
M
G
T
K
G
I
I
K
S
S
V
G
I
G
I
L
L
Y
M
G
I
G
D
T
V
R
V
S
L
T
D
D
P
----
V
V
----
E
V
E
T
A
Y
E
I
L
K
S
L
G
L
R
R
R
G
V
E
I
V
A
C
P
T
C
G
R
I
E
V
D
-
L
P
K
-----
V
V
K
E
V
Q
E
K
L
S
G
V
----------
K
T
------
P
L
K
V
A
V
M
G
C
V
V
N
A
I
G
E
A
R
E
A
D
I
G
L
----
A
C
G
-
R
G
F
---
A
W
L
F
K
H
G
K
P
I
K
K
V
D
E
S
E
M
V
D
E
L
L
K
E
I
Q
------------------------
47
HHSearch
76.40
50%
-97
- C1 -
3NOY
2
ISPG_AQUAE
A:
[10-358]
-----
M
I
Q
K
R
K
T
R
Q
I
R
V
G
N
V
K
I
G
G
D
A
P
I
V
V
Q
S
M
T
S
T
K
T
H
D
V
E
A
T
L
N
Q
I
K
R
L
Y
E
A
G
C
E
I
V
R
V
A
V
P
H
K
E
D
V
E
A
L
E
E
I
V
K
K
-----
S
-----
P
M
P
V
I
A
D
I
H
F
A
P
S
Y
A
F
L
---
S
M
E
K
G
V
---
H
G
I
R
I
N
P
G
N
I
G
K
-
E
----
E
I
V
R
---
E
I
V
E
E
A
K
R
R
G
V
A
V
R
I
G
V
N
S
G
S
L
E
K
D
L
L
E
K
Y
G
Y
-------------
P
S
A
-------------
E
A
L
A
E
S
A
L
R
W
S
E
K
F
E
K
W
G
F
T
--
N
--
Y
K
V
S
I
K
G
S
D
V
L
Q
N
V
R
A
N
L
I
F
A
E
R
T
D
V
P
L
H
I
G
I
T
E
A
G
M
G
T
K
G
I
I
K
S
S
V
G
I
G
I
L
L
Y
M
G
I
G
D
T
V
R
V
S
L
T
D
D
P
----
V
V
----
E
V
E
T
A
Y
E
I
L
K
S
L
G
L
R
R
R
G
V
E
I
V
A
C
P
T
C
G
R
I
E
V
D
-
L
P
K
-----
V
V
K
E
V
Q
E
K
L
S
G
V
----------
K
T
------
P
L
K
V
A
V
M
G
C
V
V
N
A
I
G
E
A
R
E
A
D
I
G
L
----
A
C
G
-
R
G
F
---
A
W
L
F
K
H
G
K
P
I
K
K
V
D
E
S
E
M
V
D
E
L
L
K
E
I
Q
N
-----------------------
37
Fugue
76.40
50%
-97
- C1 -
3NOY
2
ISPG_AQUAE
A:
[10-358]
-----
M
I
Q
K
R
K
T
R
Q
I
R
V
G
N
V
K
I
G
G
D
A
P
I
V
V
Q
S
M
T
S
T
K
T
H
D
V
E
A
T
L
N
Q
I
K
R
L
Y
E
A
G
C
E
I
V
R
V
A
V
P
H
K
E
D
V
E
A
L
E
E
I
V
K
K
-----
S
-----
P
M
P
V
I
A
D
I
H
F
A
P
S
Y
A
F
L
---
S
M
E
K
G
V
---
H
G
I
R
I
N
P
G
N
I
G
K
-
E
----
E
I
V
R
---
E
I
V
E
E
A
K
R
R
G
V
A
V
R
I
G
V
N
S
G
S
L
E
K
D
L
L
E
K
Y
G
Y
-------------
P
S
A
-------------
E
A
L
A
E
S
A
L
R
W
S
E
K
F
E
K
W
G
F
T
--
N
--
Y
K
V
S
I
K
G
S
D
V
L
Q
N
V
R
A
N
L
I
F
A
E
R
T
D
V
P
L
H
I
G
I
T
E
A
G
M
G
T
K
G
I
I
K
S
S
V
G
I
G
I
L
L
Y
M
G
I
G
D
T
V
R
V
S
L
T
D
D
P
----
V
V
----
E
V
E
T
A
Y
E
I
L
K
S
L
G
L
R
R
R
G
V
E
I
V
A
C
P
T
C
G
R
I
E
V
D
-
L
P
K
-----
V
V
K
E
V
Q
E
K
L
S
G
V
----------
K
T
------
P
L
K
V
A
V
M
G
C
V
V
N
A
I
G
E
A
R
E
A
D
I
G
L
----
A
C
G
-
R
G
F
---
A
W
L
F
K
H
G
K
P
I
K
K
V
D
E
S
E
M
V
D
E
L
L
K
E
I
Q
N
-----------------------
21
PsiBlast_CBE
76.15
90%
-95
- C1 -
4MWA
2
ISPG_BACAN
H:
[8-260]
------
T
H
R
T
K
T
R
P
V
K
V
G
N
L
T
I
G
G
N
N
E
L
I
I
Q
S
M
T
T
T
K
T
H
D
V
E
A
T
V
A
E
I
K
R
L
E
E
A
G
C
Q
V
V
R
V
A
V
P
D
E
R
A
A
N
A
I
A
D
I
K
K
Q
-----
I
-----
N
I
P
L
V
A
D
I
H
F
D
Y
R
L
A
L
K
---
A
I
E
G
G
I
---
D
K
V
R
I
N
P
G
N
I
G
R
-
R
----
H
K
V
E
---
A
V
V
N
A
A
K
E
R
G
I
P
I
R
I
G
V
N
A
G
S
L
E
R
H
I
L
E
K
Y
G
Y
-------------
P
T
A
-------------
D
G
M
V
E
S
A
L
H
H
I
K
I
L
E
D
L
D
F
H
--
D
--
I
I
V
S
M
K
A
S
D
V
N
L
A
I
E
A
Y
E
K
A
A
R
A
F
D
Y
P
L
H
L
G
I
T
E
S
G
T
L
F
A
G
T
V
K
S
A
A
G
L
G
A
I
L
N
K
G
I
G
N
T
L
R
I
S
L
S
A
D
P
----
V
E
----
E
V
K
V
A
R
E
L
L
K
S
F
G
----------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
76.12
50%
-97
- C1 -
3NOY
2
ISPG_AQUAE
A:
[10-357]
-----
M
I
Q
K
R
K
T
R
Q
I
R
V
G
N
V
K
I
G
G
D
A
P
I
V
V
Q
S
M
T
S
T
K
T
H
D
V
E
A
T
L
N
Q
I
K
R
L
Y
E
A
G
C
E
I
V
R
V
A
V
P
H
K
E
D
V
E
A
L
E
E
I
V
K
K
-----
S
-----
P
M
P
V
I
A
D
I
H
F
A
P
S
Y
A
F
L
---
S
M
E
K
G
V
---
H
G
I
R
I
N
P
G
N
I
G
K
-
E
----
E
I
V
R
---
E
I
V
E
E
A
K
R
R
G
V
A
V
R
I
G
V
N
S
G
S
L
E
K
D
L
L
E
K
Y
G
Y
-------------
P
S
A
-------------
E
A
L
A
E
S
A
L
R
W
S
E
K
F
E
K
W
G
F
T
--
N
--
Y
K
V
S
I
K
G
S
D
V
L
Q
N
V
R
A
N
L
I
F
A
E
R
T
D
V
P
L
H
I
G
I
T
E
A
G
M
G
T
K
G
I
I
K
S
S
V
G
I
G
I
L
L
Y
M
G
I
G
D
T
V
R
V
S
L
T
D
D
P
----
V
V
----
E
V
E
T
A
Y
E
I
L
K
S
L
G
L
R
R
R
G
V
E
I
V
A
C
P
T
C
G
R
I
E
V
D
-
L
P
K
-----
V
V
K
E
V
Q
E
K
L
S
G
V
----------
K
T
------
P
L
K
V
A
V
M
G
C
V
V
N
A
I
G
E
A
R
E
A
D
I
G
L
----
A
C
G
-
R
G
F
---
A
W
L
F
K
H
G
K
P
I
K
K
V
D
E
S
E
M
V
D
E
L
L
K
E
I
Q
------------------------
1
PsiBlast_PDB
74.96
90%
-98
- C1 -
4MWA
2
ISPG_BACAN
D:
[5-263]
---
N
E
M
T
H
R
T
K
T
R
P
V
K
V
G
N
L
T
I
G
G
N
N
E
L
I
I
Q
S
M
T
T
T
K
T
H
D
V
E
A
T
V
A
E
I
K
R
L
E
E
A
G
C
Q
V
V
R
V
A
V
P
D
E
R
A
A
N
A
I
A
D
I
K
K
Q
-----
I
-----
N
I
P
L
V
A
D
I
H
F
D
Y
R
L
A
L
K
---
A
I
E
G
G
I
---
D
K
V
R
I
N
-------------
K
V
E
---
A
V
V
N
A
A
K
E
R
G
I
P
I
R
I
G
V
N
A
G
S
L
E
R
H
I
L
E
K
Y
G
Y
-------------
P
T
A
-------------
D
G
M
V
E
S
A
L
H
H
I
K
I
L
E
D
L
D
F
H
--
D
--
I
I
V
S
M
K
A
S
D
V
N
L
A
I
E
A
Y
E
K
A
A
R
A
F
D
Y
P
L
H
L
G
I
T
E
S
G
T
L
F
A
G
T
V
K
S
A
A
G
L
G
A
I
L
N
K
G
I
G
N
T
L
R
I
S
L
S
A
D
P
----
V
E
----
E
V
K
V
A
R
E
L
L
K
S
F
G
L
A
S
-------------------------------------------------------------------------------------------------------------------------------------------------
48
HHSearch
67.41
39%
-4
* C1 *
4S39
5
ISPG_THET8
A:
[4-403]
-------
M
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
L
L
A
E
G
A
-----
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
K
Y
P
K
M
A
E
A
L
---
D
-
F
R
I
N
P
G
T
L
G
R
-
G
R
H
K
D
E
H
F
A
---
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
R
N
A
R
RPEPKS
A
H
E
V
V
L
-------------
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
ED
K
--
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
GEPR
T
K
----
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
F
F
Q
E
-----
L
A
E
E
V
S
R
R
L
K
E
R
L
P
E
W
R
A
R
YPG
V
E
------
E
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
----
S
L
P
G
A
G
E
EP
K
A
P
V
Y
A
D
G
K
L
L
T
I
L
K
G
E
G
I
A
E
E
F
L
R
L
V
E
D
Y
V
K
T
R
F
A
----------------
26
PsiBlast_CBE
65.72
35%
1
- C1 -
4S23
5
ISPG_THETH
B:
[5-403]
--------
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
LLAEG
V
-----
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
---
K
Y
P
K
M
A
EAL
D
K
F
R
I
N
P
G
T
L
G
R
G
R
----
H
K
D
E
HFA
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
-------------
R
N
A
SRPEPKSAHEVVL
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
--
E
DK
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
S
P
----
K
E
PRTK
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
-
F
F
Q
ELAEE
V
S
R
R
L
K
E
R
L
P
E
W
----------
R
A
RYPGVE
E
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
SLPG
A
G
E
-
E
P
K
---
A
P
V
Y
A
D
G
K
L
L
T
I
L
K
G
E
G
I
A
E
E
F
L
R
L
V
E
D
Y
V
K
T
R
F
A
----------------
5
PsiBlast_PDB
65.28
35%
8
- C1 -
4S23
5
ISPG_THETH
A:
[5-403]
--------
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
L
L
A
E
G
V
-----
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
---
K
Y
P
K
M
A
E
A
L
D
K
F
R
I
N
P
G
T
L
G
R
G
R
----
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
-------------
R
N
A
S
RPEPKS
A
H
E
V
V
L
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
--
E
DK
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
S
P
----
K
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
-
F
F
Q
E
L
A
E
E
V
S
R
R
L
K
E
R
L
P
E
W
----------
R
A
R
Y
PGVE
E
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
-
E
P
K
---
A
P
V
Y
A
D
G
K
L
L
T
I
L
K
G
E
G
I
A
E
E
F
L
R
L
V
E
D
Y
V
K
T
R
F
A
----------------
7
PsiBlast_PDB
65.13
35%
2
- C1 -
4S39
5
ISPG_THET8
A:
[5-403]
--------
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
---
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
----
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
-------------
R
N
A
R
RPEPKS
A
H
E
V
V
L
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
--
E
DK
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
----
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
-
F
F
Q
E
L
A
E
E
V
S
R
R
L
K
E
R
L
P
E
W
----------
R
A
R
YPGVE
E
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
-
E
P
K
---
A
P
V
Y
A
D
G
K
L
L
T
I
L
K
G
E
G
I
A
E
E
F
L
R
L
V
E
D
Y
V
K
T
R
F
A
----------------
12
PsiBlast_PDB
65.09
35%
4
- C1 -
4S3A
4
ISPG_THET8
A:
[5-403]
--------
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
---
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
----
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
-------------
R
N
A
R
RPEPKS
A
H
E
V
V
L
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
--
E
DK
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
----
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
-
F
F
Q
E
L
A
E
E
V
S
R
R
L
K
E
R
L
P
E
W
----------
R
A
R
YPGVE
E
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
-
E
P
K
---
A
P
V
Y
A
D
G
K
L
L
T
I
L
K
G
E
G
I
A
E
E
F
L
R
L
V
E
D
Y
V
K
T
R
F
A
----------------
10
PsiBlast_PDB
65.00
35%
4
- C1 -
4S3E
5
ISPG_THET8
A:
[5-403]
--------
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
---
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
----
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
-------------
R
N
A
R
RPEPKS
A
H
E
V
V
L
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
--
E
DK
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
----
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
-
F
F
Q
E
L
A
E
E
V
S
R
R
L
K
E
R
L
P
E
W
----------
R
A
R
YPGVE
E
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
-
E
P
K
---
A
P
V
Y
A
D
G
K
L
L
T
I
L
K
G
E
G
I
A
E
E
F
L
R
L
V
E
D
Y
V
K
T
R
F
A
----------------
13
PsiBlast_PDB
64.84
35%
6
- C1 -
4S3C
3
ISPG_THET8
A:
[5-403]
--------
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
---
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
----
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
-------------
R
N
A
R
RPEPKS
A
H
E
V
V
L
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
--
E
DK
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
----
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
-
F
F
Q
E
L
A
E
E
V
S
R
R
L
K
E
R
L
P
E
W
----------
R
A
R
YPGVE
E
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
-
E
P
K
---
A
P
V
Y
A
D
G
K
L
L
T
I
L
K
G
E
G
I
A
E
E
F
L
R
L
V
E
D
Y
V
K
T
R
F
A
----------------
8
PsiBlast_PDB
64.70
35%
5
- C1 -
4S3B
2
ISPG_THET8
A:
[5-403]
--------
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
---
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
----
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
-------------
R
N
A
R
RP
E
P
K
S
A
H
E
V
V
L
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
--
E
DK
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
----
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
-
F
F
Q
E
L
A
E
E
V
S
R
R
L
K
E
R
L
P
E
W
----------
R
A
R
Y
PGVE
E
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
-
E
P
K
---
A
P
V
Y
A
D
G
K
L
L
T
I
L
K
G
E
G
I
A
E
E
F
L
R
L
V
E
D
Y
V
K
T
R
F
A
----------------
6
PsiBlast_PDB
64.64
35%
6
- C1 -
4S38
9
ISPG_THET8
A:
[5-403]
--------
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
---
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
----
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
-------------
R
N
A
R
RPEPKS
A
H
E
V
V
L
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
--
E
DK
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
----
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
-
F
F
Q
E
L
A
E
E
V
S
R
R
L
K
E
R
L
P
E
W
----------
R
A
R
YPGVE
E
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
-
E
P
K
---
A
P
V
Y
A
D
G
K
L
L
T
I
L
K
G
E
G
I
A
E
E
F
L
R
L
V
E
D
Y
V
K
T
R
F
A
----------------
11
PsiBlast_PDB
64.50
35%
3
- C1 -
4S3F
1
ISPG_THET8
A:
[5-403]
--------
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
---
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
----
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
-------------
R
N
A
R
RPEPKS
A
H
E
V
V
L
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
--
E
DK
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
----
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
-
F
F
Q
E
L
A
E
E
V
S
R
R
L
K
E
R
L
P
E
W
----------
R
A
R
YPGVE
E
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
-
E
P
K
---
A
P
V
Y
A
D
G
K
L
L
T
I
L
K
G
E
G
I
A
E
E
F
L
R
L
V
E
D
Y
V
K
T
R
F
A
----------------
9
PsiBlast_PDB
64.48
35%
7
- C1 -
4S3D
2
ISPG_THET8
A:
[5-403]
--------
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
-----
L
L
A
E
GA
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
---
K
Y
P
K
M
A
E
A
L
D
-
F
R
I
N
P
G
T
L
G
R
G
R
----
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
-------------
R
N
A
R
RPEPKS
A
H
E
V
V
L
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
--
E
DK
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
A
P
----
G
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
-
F
F
Q
E
L
A
E
E
V
S
R
R
L
K
E
R
L
P
E
W
----------
R
A
R
YPGVE
E
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
-
E
P
K
---
A
P
V
Y
A
D
G
K
L
L
T
I
L
K
G
E
G
I
A
E
E
F
L
R
L
V
E
D
Y
V
K
T
R
F
A
----------------
4
PsiBlast_PDB
64.19
35%
8
- C1 -
4G9P
7
ISPG_THET2
A:
[5-403]
--------
R
R
P
T
P
T
V
Y
V
G
R
V
P
I
G
G
A
H
P
I
A
V
Q
S
M
T
N
T
P
T
R
D
V
E
A
T
T
A
Q
V
L
E
L
H
R
A
G
S
E
I
V
R
L
T
V
N
D
E
E
A
A
K
A
V
P
E
I
K
R
R
L
L
A
E
G
V
-----
E
V
P
L
V
G
D
F
H
F
N
G
H
L
L
L
R
---
K
Y
P
K
M
A
E
A
L
D
K
F
R
I
N
P
G
T
L
G
R
G
R
----
H
K
D
E
H
F
A
E
M
I
R
I
A
M
D
L
G
K
P
V
R
I
G
A
N
W
G
S
L
D
P
A
L
L
T
E
L
M
D
-------------
R
N
A
S
RPEPKS
A
H
E
V
V
L
E
A
L
V
E
S
A
V
R
A
Y
E
A
A
L
E
M
G
L
G
--
E
DK
L
V
L
S
A
K
V
S
K
A
R
D
L
V
W
V
Y
R
E
L
A
R
R
T
Q
A
P
L
H
L
G
L
T
E
A
G
M
G
V
K
G
I
V
A
S
A
A
A
L
A
P
L
L
L
E
G
I
G
D
T
I
R
V
S
L
T
P
S
P
----
K
E
PRT
K
E
V
E
V
A
Q
E
I
L
Q
A
L
G
L
R
A
F
A
P
E
V
T
S
C
P
G
C
G
R
T
T
S
T
-
F
F
Q
E
L
A
E
E
V
S
R
R
L
K
E
R
L
P
E
W
----------
R
A
R
Y
PGVE
E
L
K
V
A
V
M
G
C
V
V
N
G
P
G
E
S
K
H
A
H
I
G
I
S
L
PG
A
G
E
-
E
P
K
---
A
P
V
Y
A
D
G
K
L
L
T
I
L
K
G
E
G
I
A
E
E
F
L
R
L
V
E
D
Y
V
K
T
R
F
A
----------------