@TOME V2.3
(Nov 2016)
Ref.
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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 : SA0848: (2016-03-19 )
MKNDEVLLSIKNLKQYFNAGKKNEVRAIENISFDIYKGETLGLVGESGCGKSTTGKSIIKLNDITSGEILYEGIDIQKIRKRKDLLKFNKKIQMIFQDPYASLNPRLKVMDIVAEGIDIHHLATDKRDRKKRVYDLLETVGLSKEHANRYPHEFSGGQRQRIGIARALAVEPEFIIADEPISALDVSIQAQVVNLLLKLQRERGITFLFIAHDLSMVKYISDRIAVMHFGKIVEIGPAEEIYQNPLHDYTKSLLSAIPQPDPESERSRKRFSYIDDEANNHLRQLHEIRPNHFVFSTEEEAAQLRENKLVTQN
Atome Classification :
(29 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.--------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MKND
E
V
L
L
S
I
K
N
L
K
Q
Y
F
NAGKKNE
V
R
A
I
EN
I
S
F
D
I
YKG
E
T
L
G
LVGESGCGKSTTG
K
S
I
I
K
L
----NDITSG
E
I
L
YEGI
D
I
Q
K
I
------
R
K
R
K
D
L
L
K
F
N
-
K
-
K
I
Q
---------
M
I
F
QDPYASLNPR
L
K
V
M
D
I
V
--AEGI
D
I
H
HL-ATD
K
R
D
R
K
K
---
R
V
Y
D
L
L
E
T
VGL
S
K
E
H
A
-NRYPHEFSGGQ
R
Q
R
I
G
I
A
R
A
LAVEP
E
F
I
I
ADEPI
S
A
L
D
V
S
I
Q
A
Q
V
V
N
L
L
L
K
L
Q
R
ERG
I
T
F
L
F
I
AH
D
L
S
M
V
K
Y
I
S
D
R
I
A
V
MHFG
K
I
V
EIG
P
A
E
E
I
Y
Q
N
P
--
L
H
D
Y
T
K
S
L
L
S
AIPQPDP
E
S
E
R
SRK-------------RFSYIDDE
A
N
N
H
L
R
Q
L
H
EIRPN
H
F
V
FS
T
E
E
E
A
A
Q
L
R
ENKLVTQN--------------------------
131
Fugue
86.36
28%
-89
- C1 -
3TUZ
3
METN_ECOLI
H:
[23-362]
-----
H
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
----
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
-------
S
E
S
E
L
T
K
A
R
-
R
-
Q
I
G
---------
M
I
F
Q
H
F
--
N
L
L
S
S
R
T
V
F
G
N
V
--
A
L
P
L
E
L
D
N
---
T
P
K
D
E
V
K
R
---
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
--
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
--
K
T
P
L
A
Q
K
F
I
Q
S
T
L
H
L
D
I
P
E
D
Y
Q
E
R
LQAEPFTDCVPML
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
TEMHGTQQDTQAAIAWLQEHHVKVEV
115
HHSearch
83.98
33%
-111
- C1 -
3TUI
1
METN_ECOLI
C:
[23-260]
-----
H
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
-
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
----
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
------
S
-
E
S
E
L
T
K
A
R
-
R
-
Q
I
G
---------
M
I
F
Q
H
F
N
--
L
L
S
S
R
T
V
F
G
N
V
--
A
L
P
L
E
L
D
N
T
-
P
--
K
D
E
V
K
R
---
R
V
T
E
L
L
S
L
V
G
L
G
-
D
K
H
-
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
--
K
T
P
L
A
------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
82.88
33%
-99
- C1 -
4FWI
3
?
B:
[3-268]
-----
I
I
I
R
V
E
D
L
R
A
V
Y
L
V
-
R
E
G
T
I
K
A
A
D
G
I
S
L
D
I
L
E
N
S
V
T
A
I
V
G
E
S
A
S
G
K
S
T
I
I
E
A
M
T
K
T
LPPN
G
R
I
L
S
G
R
V
L
Y
K
G
K
D
L
L
T
M
------
R
E
-
E
E
L
R
K
I
R
W
K
-
E
I
A
---------
L
V
P
Q
A
A
Q
Q
S
L
N
P
T
M
K
V
I
E
H
F
--
K
D
T
V
E
A
H
G
V
-
R
W
S
H
S
E
L
I
E
---
K
A
S
E
K
L
R
M
V
R
L
N
P
E
A
V
L
N
S
Y
P
L
Q
L
S
G
G
M
K
Q
R
V
L
I
A
L
A
L
L
L
D
P
V
V
L
I
L
D
E
P
T
S
A
L
D
V
L
T
Q
A
H
I
I
Q
L
L
K
E
L
K
K
M
L
K
I
T
L
I
F
V
T
H
D
I
A
V
A
A
E
L
A
D
K
V
A
V
I
Y
G
G
N
L
V
E
Y
N
S
T
F
Q
I
F
K
N
P
--
L
H
P
Y
T
R
G
L
I
N
S
I
-----------------------------------------------------------------------------------------------
31
PsiBlast_CBE
82.83
33%
-112
- C1 -
3C4J
4
?
B:
[24-262]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
AEA
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
9
PsiBlast_PDB
82.62
33%
-109
- C1 -
2OLK
1
?
A:
[24-262]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
A
E
A
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
33
PsiBlast_CBE
82.32
33%
-106
- C1 -
2OUK
2
?
D:
[24-262]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
AEA
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
8
PsiBlast_PDB
82.32
33%
-105
- C1 -
2OLJ
4
?
A:
[24-262]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
A
E
A
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
27
PsiBlast_CBE
82.12
33%
-109
- C1 -
3TUI
1
METN_ECOLI
H:
[23-255]
-----
H
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
-
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
----
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
------
S
E
-
S
E
L
T
K
A
R
-
R
-
Q
I
G
---------
M
I
F
Q
H
-
F
N
L
L
S
S
R
-
T
V
F
G
N
V
--
A
L
P
L
E
L
D
N
---
T
P
K
D
E
V
K
R
---
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
--
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
-------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
82.09
33%
-103
- C1 -
2OLK
2
?
B:
[24-262]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
AEA
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
6
PsiBlast_PDB
81.98
33%
-109
- C1 -
3TUZ
1
METN_ECOLI
C:
[23-255]
-----
H
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
-
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
----
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
------
S
E
-
S
E
L
T
K
A
R
-
R
-
Q
I
G
---------
M
I
F
Q
H
-
F
N
L
L
S
S
R
-
T
V
F
G
N
V
--
A
L
P
L
E
L
D
N
---
T
P
K
D
E
V
K
R
---
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
--
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
-------------------------------------------------------------------------------------------------------------
36
PsiBlast_CBE
81.74
33%
-104
- C1 -
2OLK
1
?
D:
[24-262]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
AEA
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
12
PsiBlast_PDB
81.54
33%
-108
- C1 -
3C4J
3
?
A:
[24-262]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
A
E
A
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
10
PsiBlast_PDB
81.24
33%
-109
- C1 -
2OUK
1
?
A:
[24-262]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
A
E
A
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
7
PsiBlast_PDB
81.11
33%
-103
- C1 -
3C41
3
?
J:
[3-241]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
AEA
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
37
PsiBlast_CBE
81.08
33%
-107
- C1 -
2OLK
1
?
C:
[24-262]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
AEA
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
5
PsiBlast_PDB
81.07
33%
-106
- C1 -
3TUI
1
METN_ECOLI
C:
[23-255]
-----
H
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
-
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
----
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
------
S
E
-
S
E
L
T
K
A
R
-
R
-
Q
I
G
---------
M
I
F
Q
H
-
F
N
L
L
S
S
R
-
T
V
F
G
N
V
--
A
L
P
L
E
L
D
N
---
T
P
K
D
E
V
K
R
---
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
--
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
-------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
80.92
33%
-106
- C1 -
2OUK
2
?
B:
[24-262]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
A
E
A
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
30
PsiBlast_CBE
80.73
33%
-109
- C1 -
3C41
3
?
K:
[3-241]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
AEA
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
34
PsiBlast_CBE
80.51
33%
-104
- C1 -
2OUK
1
?
C:
[24-262]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
AEA
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
11
PsiBlast_PDB
80.38
33%
-105
- C1 -
2Q0H
4
?
A:
[24-262]
------
M
I
D
V
H
Q
L
K
K
S
F
G
S
-----
L
E
V
L
K
G
I
N
V
H
I
R
E
G
E
V
V
V
V
I
G
P
S
G
S
G
K
S
T
F
L
R
C
L
N
L
L
----
E
D
F
D
E
G
E
I
I
I
D
G
I
N
L
K
A
--------
K
D
T
N
L
N
K
V
R
-
E
-
E
V
G
---------
M
V
F
Q
--
R
F
N
L
F
P
H
M
T
V
L
N
------
N
I
T
L
A
P
M
-
K
V
R
K
W
P
R
E
K
A
E
A
K
A
M
E
L
L
D
K
V
G
L
-
K
D
K
A
-
H
A
Y
P
D
S
L
S
G
G
Q
A
Q
R
V
A
I
A
R
A
L
A
M
E
P
K
I
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
G
E
V
L
S
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
L
F
M
D
G
G
Y
I
I
E
E
G
K
P
E
D
L
F
D
R
P
--
Q
H
E
R
T
K
A
F
L
S
K
V
-----------------------------------------------------------------------------------------------
84
PsiBlast_CBE
75.22
35%
-101
- C1 -
3FVQ
3
FBPC_NEIG1
B:
[20-230]
---------------------------
L
N
D
I
S
L
S
L
D
P
G
E
I
L
F
I
I
G
A
S
G
C
G
K
T
T
L
L
R
C
L
A
G
F
----
E
Q
P
D
S
G
E
I
S
L
S
G
K
T
I
--
F
------
S
K
N
T
N
L
P
V
R
E
-
R
-
R
L
G
---------
Y
L
V
Q
E
--
G
V
L
F
P
H
L
T
V
Y
R
N
I
--
A
Y
G
L
G
N
G
K
G
-
R
T
A
Q
E
--
R
Q
---
R
I
E
A
M
L
E
L
T
G
I
S
-
E
L
A
-
G
R
Y
P
H
E
L
S
G
G
Q
Q
Q
R
A
A
L
A
R
A
L
A
P
D
P
E
L
I
L
L
D
E
P
F
S
A
L
D
E
Q
L
R
R
Q
I
R
E
D
M
I
A
A
L
R
A
N
G
K
S
A
V
F
V
S
H
D
R
E
E
A
L
Q
Y
A
D
R
I
A
V
M
K
Q
G
R
I
L
Q
T
A
S
P
H
E
L
Y
R
Q
P
-------------------------------------------------------------------------------------------------------------
85
PsiBlast_CBE
73.87
35%
-102
- C1 -
3FVQ
3
FBPC_NEIG1
A:
[20-235]
---------------------------
L
N
D
I
S
L
S
L
D
P
G
E
I
L
F
I
I
G
A
S
G
C
G
K
T
T
L
L
R
C
L
A
G
F
----
E
Q
P
D
S
G
E
I
S
L
S
G
K
T
I
--
F
------
S
K
N
T
N
L
P
V
R
E
-
R
-
R
L
G
---------
Y
L
V
Q
E
--
G
V
L
F
P
H
L
T
V
Y
R
N
I
--
A
Y
G
L
G
N
G
K
G
-
R
T
A
Q
E
--
R
Q
---
R
I
E
A
M
L
E
L
T
G
I
S
-
E
L
A
-
G
R
Y
P
H
E
L
S
G
G
Q
Q
Q
R
A
A
L
A
R
A
L
A
P
D
P
E
L
I
L
L
D
E
P
F
S
A
L
D
E
Q
L
R
R
Q
I
R
E
D
M
I
A
A
L
R
A
N
G
K
S
A
V
F
V
S
H
D
R
E
E
A
L
Q
Y
A
D
R
I
A
V
M
K
Q
G
R
I
L
Q
T
A
S
P
H
E
L
Y
R
Q
P
-------------------------------------------------------------------------------------------------------------
82
PsiBlast_CBE
72.33
31%
-102
- C1 -
3TIF
7
Y796_METJA
B:
[1-223]
------
M
V
K
L
K
N
V
T
K
T
Y
K
M
G
E
E
I
-
I
Y
A
L
K
N
V
N
L
N
I
K
E
G
E
F
V
S
I
M
G
P
S
G
S
G
K
S
T
M
L
N
I
I
G
C
L
----
D
K
P
T
E
G
E
V
Y
I
D
N
I
K
T
N
D
L
------
D
D
-
D
E
L
T
K
I
R
-
R
D
K
I
G
---------
F
V
F
Q
Q
--
F
N
L
I
P
L
L
T
A
L
E
N
V
--
E
L
P
L
I
F
K
Y
R
G
A
M
S
G
E
E
R
R
K
---
R
A
L
E
C
L
K
M
A
E
L
E
E
R
F
A
-
N
H
K
P
N
Q
L
S
G
G
Q
Q
Q
R
V
A
I
A
R
A
L
A
N
N
P
P
I
I
L
A
D
Q
P
T
W
A
L
D
S
K
T
G
E
K
I
M
Q
L
L
K
K
L
N
E
E
D
G
K
T
V
V
V
V
T
H
D
I
N
V
A
R
F
-
G
E
R
I
I
Y
L
K
D
G
E
V
--------------------------------------------------------------------------------------------------------------------------
79
PsiBlast_CBE
72.30
32%
-104
- C1 -
1B0U
4
HISP_SALTY
A:
[22-244]
---------------------------
L
K
G
V
S
L
Q
A
R
A
G
D
V
I
S
I
I
G
S
S
G
S
G
K
S
T
F
L
R
C
I
N
F
L
----
E
K
P
S
E
G
A
I
I
V
N
G
Q
N
I
N
L
V
------
R
D
K
D
G
Q
L
K
V
A
-
D
-
K
N
Q
L
R
L
L
R
T
R
L
T
M
V
F
Q
--
H
F
N
L
W
S
H
M
T
V
L
E
N
V
--
M
E
A
-
P
I
Q
V
L
-
G
L
S
K
H
D
A
R
E
---
R
A
L
K
Y
L
A
K
V
G
I
D
E
R
A
Q
-
G
K
Y
P
V
H
L
S
G
G
Q
Q
Q
R
V
S
I
A
R
A
L
A
M
E
P
D
V
L
L
F
D
E
P
T
S
A
L
D
P
E
L
V
G
E
V
L
R
I
M
Q
Q
L
A
-
E
E
G
K
T
M
V
V
V
T
H
E
M
G
F
A
R
H
V
S
S
H
V
I
F
L
H
Q
G
K
I
E
E
E
G
D
P
E
Q
V
F
G
N
P
-------------------------------------------------------------------------------------------------------------
86
PsiBlast_CBE
63.66
32%
-102
- C1 -
2PCL
12
LOLD_AQUAE
A:
[20-218]
---------------------------
L
K
G
I
S
L
S
V
K
K
G
E
F
V
S
I
I
G
A
S
G
S
G
K
S
T
L
L
Y
I
L
G
L
L
----
D
A
P
T
E
G
K
V
F
L
E
G
K
E
V
D
Y
T
------
N
E
K
E
L
S
L
L
R
N
-
R
-
K
L
G
---------
F
V
F
Q
F
H
Y
--
L
I
P
E
L
T
A
L
E
N
V
--
I
--
V
P
M
L
K
M
-
G
K
P
K
K
E
A
K
E
---
R
G
E
Y
L
L
S
E
L
G
L
G
-
D
K
L
-
S
R
K
P
Y
E
L
S
G
G
E
Q
Q
R
V
A
I
A
R
A
L
A
N
E
P
I
L
L
F
A
D
E
P
T
G
N
L
D
S
A
N
T
K
R
V
M
D
I
F
L
K
I
N
-
E
G
G
T
S
I
V
M
V
T
H
E
R
E
L
A
E
-
L
T
H
R
T
L
E
M
K
D
G
K
V
V
-------------------------------------------------------------------------------------------------------------------------
105
PsiBlast_CBE
52.71
33%
-69
- C1 -
2PMK
1
A:
[21-242]
---------------------------
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
----
Y
I
P
E
N
G
Q
V
L
I
D
G
H
D
L
A
L
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
-
V
-
L
L
N
---------
R
S
I
I
D
N
I
S
L
A
N
P
G
M
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
D
F
-
I
S
E
L
R
E
G
Y
N
---
T
I
--------
V
G
E
Q
G
A
-
G
-----
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
K
G
R
--
T
V
I
I
I
A
H
R
L
S
T
V
K
N
-
A
D
R
I
I
V
M
E
K
G
K
I
V
E
Q
G
K
H
K
E
L
L
S
E
P
ES
L
Y
S
Y
L
Y
Q
L
Q
S
-------------------------------------------------------------------------------------------------
106
PsiBlast_CBE
52.36
33%
-68
- C1 -
2FF7
1
A:
[25-246]
---------------------------
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
----
Y
I
P
E
N
G
Q
V
L
I
D
G
H
D
L
A
L
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
-
V
-
L
L
N
---------
R
S
I
I
D
N
I
S
L
A
N
P
G
M
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
D
F
-
I
S
E
L
R
E
G
Y
N
---
T
I
--------
V
G
E
Q
G
A
-
G
-----
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
K
G
R
--
T
V
I
I
I
A
H
R
L
S
T
V
K
N
-
A
D
R
I
I
V
M
E
K
G
K
I
V
E
Q
G
K
H
K
E
L
L
S
E
P
ES
L
Y
S
Y
L
Y
Q
L
Q
S
-------------------------------------------------------------------------------------------------
109
PsiBlast_CBE
50.59
32%
-66
- C1 -
2FGK
2
D:
[25-246]
---------------------------
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
S
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
----
Y
I
P
E
N
G
Q
V
L
I
D
G
H
D
L
A
L
A
DPNWLR
R
Q
V
G
V
V
L
Q
D
N
-
V
-
L
L
N
---------
R
S
I
I
D
N
I
S
L
A
N
P
G
M
S
V
E
K
V
I
YA
A
K
L
A
G
A
H
D
F
-
I
S
E
L
R
E
G
Y
N
---
T
I
--------
V
G
E
Q
G
A
-
G
-----
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
Q
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
K
G
R
--
T
V
I
I
I
A
H
R
L
S
T
V
K
N
-
A
D
R
I
I
V
M
E
K
G
K
I
V
E
Q
G
K
H
K
E
L
L
S
E
P
ES
L
Y
S
Y
L
Y
Q
L
Q
S
-------------------------------------------------------------------------------------------------
108
PsiBlast_CBE
50.39
32%
-68
- C1 -
3B5J
1
A:
[21-242]
---------------------------
L
D
N
I
N
L
S
I
K
Q
G
E
V
I
G
I
V
G
R
A
G
S
G
K
S
T
L
T
K
L
I
Q
R
F
----
Y
I
P
E
N
G
Q
V
L
I
D
G
H
D
L
A
L
A
D
P
N
W
L
R
R
Q
V
G
V
V
L
Q
D
N
-
V
-
L
L
N
---------
R
S
I
I
D
N
I
S
L
A
N
P
G
M
S
V
E
K
V
I
Y
A
A
K
L
A
G
A
H
D
F
-
I
S
E
L
R
E
G
Y
N
---
T
I
--------
V
G
E
Q
G
A
-
G
-----
L
S
G
G
Q
R
Q
R
I
A
I
A
R
A
L
V
N
N
P
K
I
L
I
F
D
E
A
T
S
A
L
D
Y
E
S
E
H
V
I
M
R
N
M
H
K
I
C
K
G
R
--
T
V
I
I
I
A
H
R
L
S
T
V
K
N
-
A
D
R
I
I
V
M
E
K
G
K
I
V
E
Q
G
K
H
K
E
L
L
S
E
P
ES
L
Y
S
Y
L
Y
Q
L
Q
S
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