@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 : gbs0663: (2015-12-02 )
MSYLTFKHVDFKTDDKLVLNDINFAIDEGDFVSIVGPSGSGKSTVLKLASGLMSPTAGHIFFDGKDLNQLEPIESRKMISYCFQTPHLFGNTVEDNISFPYHIRHEKVDYRRVDDLFQRFEMDQSYLKQDVKKLSGGEKQRIALIRQLLFEPKVLLLDEVTSALDNHNKAIVEKVIKSLHDKGITILWITHDEEQSRRFANKVLKVVNGSIEAMEVIK
Atome Classification :
(34 SA)
.........10....---....20........30........40........50........60.......--.70..--......80....----....90-........-100..---.---.--.--..110.......120..----------.....130.......140.......150.......160.......170.......180.-.......190.......200.......210......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MS
Y
L
T
F
K
H
VDFKTD
D
---
K
L
V
L
NDI
N
F
AIDEG
D
F
V
S
I
VGPSGSG
K
S
T
V
L
K
L
A
S
G
LMSPTA
G
H
I
F
FDGKDLN--QLEPI--
E
S
R
K
M
I
S
Y
C
FQ
T
----
P
H
LFGN-TVEDNISF-
P
Y
H
IR---H---E--K--V
D
Y
R
R
V
D
D
L
F
Q
R
F
EM
D
Q
----------
S
Y
L
K
Q
D
V
K
K
LSGG
E
K
Q
R
I
A
L
I
R
Q
L
LFEP
K
V
L
L
L
D
E
V
T
S
A
LDNH
N
K
A
I
V
E
K
V
I
K
S
L
H-DK-G
I
T
I
L
W
I
TH
D
E
E
Q
S
R
R
F
A
N
K
V
L
K
V
VNGS
I
E
A
M
EVIK
30
PsiBlast_CBE
83.13
34%
-109
- C1 -
3PUX
5
MALK_ECOLI
B:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
36
PsiBlast_CBE
82.95
34%
-112
- C1 -
2AWN
2
MALK_ECOLI
B:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
32
PsiBlast_CBE
82.62
34%
-108
- C1 -
3PUW
5
MALK_ECOLI
B:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
28
PsiBlast_CBE
81.87
34%
-115
- C1 -
3PUZ
2
MALK_ECOLI
B:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
KE
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
16
PsiBlast_PDB
81.82
34%
-112
- C1 -
3PUY
3
MALK_ECOLI
A:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
33
PsiBlast_CBE
81.23
34%
-110
- C1 -
3PUV
5
MALK_ECOLI
B:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
27
PsiBlast_CBE
80.83
34%
-112
- C1 -
3RLF
3
MALK_ECOLI
A:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
25
PsiBlast_CBE
80.68
34%
-109
- C1 -
4KI0
4
?
A:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
29
PsiBlast_CBE
80.22
34%
-109
- C1 -
3PUY
3
MALK_ECOLI
B:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
121
HHSearch
80.20
33%
-108
- C1 -
3RLF
3
MALK_ECOLI
A:
[2-218]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
--
P
--
P
A
E
R
G
V
G
M
V
F
Q
S
----
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
K
K
E
--
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
-----------
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
-
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
35
PsiBlast_CBE
80.04
34%
-105
- C1 -
2AWO
2
MALK_ECOLI
B:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
KE
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
26
PsiBlast_CBE
79.86
34%
-110
- C1 -
3RLF
3
MALK_ECOLI
B:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
KE
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
119
HHSearch
79.76
31%
-102
- C1 -
2YYZ
3
?
A:
[2-218]
-
P
S
I
R
V
V
N
L
K
K
Y
F
G
K
---
V
K
A
V
D
G
V
S
F
E
V
K
D
G
E
F
V
A
L
L
G
P
S
G
C
G
K
T
T
T
L
L
M
L
A
G
I
Y
K
P
T
S
G
E
I
Y
F
D
D
V
L
V
N
--
D
I
P
----
P
K
Y
R
E
V
G
M
V
F
Q
N
----
Y
A
L
Y
P
H
M
T
V
F
E
N
I
A
F
-
P
L
R
A
R
---
R
---
I
SK
D
--
E
V
E
K
R
V
V
E
I
A
R
K
L
L
I
D
-----------
N
L
L
D
R
K
P
T
Q
L
S
G
G
Q
Q
Q
R
V
A
L
A
R
A
L
V
K
Q
P
K
V
L
L
F
D
E
P
L
S
N
L
D
A
N
L
R
M
I
M
R
A
E
I
K
H
L
Q
Q
E
L
-
G
I
T
S
V
Y
V
T
H
D
Q
A
E
A
M
T
M
A
S
R
I
A
V
F
N
Q
G
K
L
V
Q
Y
G
T
P
D
24
PsiBlast_CBE
79.76
34%
-107
- C1 -
4KI0
3
?
B:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
KE
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
19
PsiBlast_PDB
79.73
34%
-110
- C1 -
3PUV
5
MALK_ECOLI
A:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
31
PsiBlast_CBE
79.61
34%
-109
- C1 -
3PUX
5
MALK_ECOLI
A:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
126
HHSearch
78.93
36%
-100
- C1 -
3ZDQ
-
ABCBA_HUMAN
A:
[341-565]
--
A
L
E
F
K
N
V
H
F
A
Y
P
A
RPE
V
P
I
F
Q
D
F
S
L
S
I
P
S
G
S
V
T
A
L
V
G
P
S
G
S
G
K
S
T
V
L
S
L
L
L
R
L
Y
D
P
A
S
G
T
I
S
L
D
G
H
D
I
R
--
Q
L
N
P
V
--
W
L
R
S
K
I
G
T
V
S
Q
E
----
P
I
L
F
S
C
-
S
I
A
E
N
I
A
Y
-
G
A
D
D
P
---
S
---
S
-----
V
T
A
E
E
I
Q
R
V
A
E
V
A
N
A
V
A
F
I
R
N
FPQGFN
T
V
V
G
E
K
G
V
L
L
S
G
G
Q
K
Q
R
I
A
I
A
R
A
L
L
K
N
P
K
I
L
L
L
D
E
A
T
S
A
L
D
A
E
N
E
Y
L
V
Q
E
A
L
D
R
L
M
--
D
-
G
R
T
V
L
V
I
A
H
R
L
S
T
I
K
-
N
A
N
M
V
A
V
L
D
Q
G
K
I
T
E
Y
G
K
H
E
41
PsiBlast_CBE
77.93
33%
-108
- C1 -
2R6G
2
MALK_ECOLI (first)
A:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
Q
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
18
PsiBlast_PDB
77.52
34%
-112
- C1 -
3PV0
-
MALK_ECOLI
A:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
40
PsiBlast_CBE
77.34
33%
-112
- C1 -
2R6G
2
MALK_ECOLI (first)
B:
[2-212]
-
A
S
V
Q
L
Q
N
V
T
K
A
W
G
E
---
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
--
D
T
P
P
A
--
E
--
R
G
V
G
M
V
F
Q
S
YALY
P
H
L
----
S
V
A
E
N
M
S
F
-
G
L
K
L
A
---
G
---
A
--
K
KE
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
-----------
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
Q
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
-
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
98
PsiBlast_CBE
64.76
36%
-89
- C1 -
2OLK
1
?
D:
[39-237]
--------------------
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
LN
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
KWP
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
100
PsiBlast_CBE
63.73
36%
-87
- C1 -
2OLK
2
?
B:
[39-237]
--------------------
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
LN
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
KWP
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
99
PsiBlast_CBE
63.35
36%
-89
- C1 -
2OLK
1
?
C:
[39-237]
--------------------
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
LN
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
KWP
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
101
PsiBlast_CBE
62.79
36%
-90
* C1 *
2OLK
1
?
A:
[39-237]
--------------------
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
KWP
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
90
PsiBlast_CBE
62.13
36%
-87
- C1 -
3C4J
4
?
B:
[39-237]
--------------------
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
LN
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
KWP
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
89
PsiBlast_CBE
61.82
36%
-84
- C1 -
3C41
3
?
J:
[18-216]
--------------------
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
LN
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
KWP
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
102
PsiBlast_CBE
61.18
36%
-88
- C1 -
2OLJ
3
?
B:
[39-237]
--------------------
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
LN
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
KWP
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
93
PsiBlast_CBE
60.30
36%
-82
- C1 -
2Q0H
4
?
A:
[39-237]
--------------------
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
KWP
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
91
PsiBlast_CBE
60.28
36%
-83
- C1 -
3C4J
3
?
A:
[39-237]
--------------------
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
KWP
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
70
PsiBlast_CBE
57.38
34%
-90
- C1 -
4YMU
2
?
A:
[16-214]
--------------------
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
P
T
K
G
E
V
F
I
D
G
V
K
I
N
NG
K
V
N
I
N
--
K
V
R
Q
K
V
G
M
V
F
Q
H
----
F
N
L
F
P
H
L
T
A
I
E
N
I
T
L
A
P
V
K
V
K
---
K
MN
K
K
--
E
--
A
E
E
L
A
V
D
L
L
A
K
V
G
L
L
D
K
----------
K
--
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
L
N
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
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
88
PsiBlast_CBE
57.28
36%
-84
- C1 -
3C41
3
?
K:
[18-216]
--------------------
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
LN
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
KWP
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
69
PsiBlast_CBE
56.07
34%
-88
- C1 -
4YMU
2
?
J:
[16-214]
--------------------
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
P
T
K
G
E
V
F
I
D
G
V
K
I
N
NG
K
V
N
I
N
--
K
V
R
Q
K
V
G
M
V
F
Q
H
----
F
N
L
F
P
H
L
T
A
I
E
N
I
T
L
A
P
V
K
V
K
---
K
MNK
K
--
E
--
A
E
E
L
A
V
D
L
L
A
K
V
G
L
L
D
K
----------
K
--
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
L
N
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
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
67
PsiBlast_CBE
55.84
34%
-91
- C1 -
4YMV
1
?
J:
[16-214]
--------------------
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
P
T
K
G
E
V
F
I
D
G
V
K
I
N
NG
K
V
N
I
N
--
K
V
R
Q
K
V
G
M
V
F
Q
H
----
F
N
L
F
P
H
L
T
A
I
E
N
I
T
L
A
P
V
K
V
K
---
K
MNK
K
--
E
--
A
E
E
L
A
V
D
L
L
A
K
V
G
L
L
D
K
----------
K
--
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
L
N
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
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
68
PsiBlast_CBE
54.81
34%
-87
- C1 -
4YMV
1
?
A:
[16-214]
--------------------
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
P
T
K
G
E
V
F
I
D
G
V
K
I
N
NG
K
V
N
I
N
--
K
V
R
Q
K
V
G
M
V
F
Q
H
----
F
N
L
F
P
H
L
T
A
I
E
N
I
T
L
A
P
V
K
V
K
---
K
MN
K
K
--
E
--
A
E
E
L
A
V
D
L
L
A
K
V
G
L
L
D
K
----------
K
--
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
L
N
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
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E