@TOME V2.3
(Mar 2018)
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 : spr1354: (2018-01-10 )
MLELRNINKVFGDKQILSNFSLSIPEKQILAIVGPSGGGKTTLLRMLAGLETIDSGQIFYNGQPLELDELQKRNLLGFVFQDFQLFPHLSVLENLTLSPVKTMGMKQEEAEKKASGLLEQLGLGGHAEAYPFSLSGGQKQRVALARAMMIDPEIIGYDEPTSALDPELRLEVEKLILQNRELGMTQIVVTHDLQFAENIADVLLKVEPK
Atome Classification :
(36 SA)
.........10........20........30........40........50........60....-----..-----------..70--..--...---....80........90........100.......---110....--...120-........-130.......140.......150.......160.......170--..-......-.180--........190----.......200.......
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MLEL
R
N
I
N
K
V
FG
D
K
Q
I
L
S
NFSLSIPE
K
Q
I
L
A
I
VGPSGG
G
K
T
T
L
L
R
M
L
AGLETIDSG
Q
I
F
YNGQPL-----
E
L
-----------
D
E
L
---
Q
K--R
N
L
---
L
G
F
V
F
Q
D
F
Q
LF
P
H
L
S
V
L
E
NLTLS
P
V
K
T
MGM
K
Q
E
E
---
A
E
K
K
A
S
G
--
L
L
E
Q
L--GLGGHA
E
A
-
Y
P
F
SLSGG
Q
K
Q
R
V
A
L
A
R
A
MMIDPEIIGYDEPTSAL
D
P
E
L
R
L
----
E
V
-
E
K
L
I
LQ-NRE---LG
M
T
Q
I
V
V
TH
D
----
L
Q
F
A
E
N
I
A
D
V
L
L
KVEPK
138
HHSearch
80.54
38%
-120
* C1 *
-
3RLF
2
MALK_ECOLI
A:
[3-210]
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
44
PsiBlast_CBE
79.49
39%
-119
- C1 -
-
4KI0
3
MALK_ECOLI
A:
[4-202]
-
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
--------
54
PsiBlast_CBE
79.36
39%
-118
- C1 -
-
3PUW
2
MALK_ECOLI
A:
[4-202]
-
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
--------
50
PsiBlast_CBE
79.11
39%
-121
- C1 -
-
3PUY
2
MALK_ECOLI
A:
[4-202]
-
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
--------
53
PsiBlast_CBE
78.81
39%
-117
- C1 -
-
3PUW
2
MALK_ECOLI
B:
[4-212]
-
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
--------
52
PsiBlast_CBE
78.66
39%
-117
- C1 -
-
3PUX
2
MALK_ECOLI
A:
[4-202]
-
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
--------
45
PsiBlast_CBE
78.64
39%
-118
- C1 -
-
3RLF
2
MALK_ECOLI
B:
[4-203]
-
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
--------
56
PsiBlast_CBE
78.63
39%
-120
- C1 -
-
3PUV
2
MALK_ECOLI
A:
[4-202]
-
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
--------
34
PsiBlast_CBE
78.62
43%
-60
- C1 -
-
4YMV
1
?
A:
[1-204]
M
I
F
V
N
D
V
Y
K
N
F
G
S
L
E
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
N
-----------
G
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
M
N
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
--------
46
PsiBlast_CBE
78.46
39%
-120
- C1 -
-
3RLF
2
MALK_ECOLI
A:
[4-202]
-
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
--------
139
HHSearch
78.00
38%
-113
- C1 -
-
2AWN
1
MALK_ECOLI
B:
[3-210]
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
51
PsiBlast_CBE
77.99
39%
-116
- C1 -
-
3PUX
2
MALK_ECOLI
B:
[4-212]
-
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
--------
6
PsiBlast_PDB
77.68
44%
-55
- C1 -
-
3C4J
2
?
A:
[24-230]
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
-----
49
PsiBlast_CBE
77.55
39%
-114
- C1 -
-
3PUY
2
MALK_ECOLI
B:
[4-212]
-
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
--------
47
PsiBlast_CBE
77.47
39%
-115
- C1 -
-
3PUZ
1
MALK_ECOLI
B:
[4-202]
-
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
--------
29
PsiBlast_CBE
77.00
44%
-55
- C1 -
-
2OLK
2
?
B:
[24-230]
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
NLN
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
-----
1
PsiBlast_PDB
76.98
44%
-53
- C1 -
-
3C41
2
?
J:
[3-209]
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
NLN
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
-----
35
PsiBlast_CBE
76.93
43%
-55
- C1 -
-
4YMU
1
?
A:
[1-204]
M
I
F
V
N
D
V
Y
K
N
F
G
S
L
E
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
N
-----------
G
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
M
N
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
--------
48
PsiBlast_CBE
76.91
39%
-117
- C1 -
-
3PUZ
1
MALK_ECOLI
A:
[4-202]
-
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
--------
22
PsiBlast_CBE
76.90
44%
-49
- C1 -
-
3C4J
2
?
B:
[24-230]
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
NLN
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
-----
2
PsiBlast_PDB
76.89
44%
-61
- C1 -
-
2OLJ
3
?
A:
[24-230]
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
-----
30
PsiBlast_CBE
76.85
44%
-49
- C1 -
-
2OLJ
2
?
B:
[24-230]
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
NLN
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
-----
12
PsiBlast_PDB
76.31
43%
-58
- C1 -
-
4YMV
1
?
J:
[1-204]
M
I
F
V
N
D
V
Y
K
N
F
G
S
L
E
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
N
-----------
G
K
V
NIN
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
M
N
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
--------
3
PsiBlast_PDB
76.26
44%
-58
- C1 -
-
2OLK
1
?
A:
[24-230]
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
-----
21
PsiBlast_CBE
75.71
44%
-55
- C1 -
-
3C41
2
?
K:
[3-209]
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
NLN
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
-----
69
PsiBlast_CBE
75.43
38%
-32
- C1 -
-
1B0U
1
HISP_SALTY
A:
[7-220]
-
L
H
V
I
D
L
H
K
R
Y
G
G
H
E
V
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
KDGQLKVA
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
---------
27
PsiBlast_CBE
75.35
44%
-58
- C1 -
-
2OLK
1
?
D:
[24-230]
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
NLN
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
-----
5
PsiBlast_PDB
75.19
44%
-54
- C1 -
-
2Q0H
3
?
A:
[24-230]
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
-----
11
PsiBlast_PDB
74.45
43%
-56
- C1 -
-
4YMU
1
?
J:
[1-204]
M
I
F
V
N
D
V
Y
K
N
F
G
S
L
E
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
N
-----------
G
K
V
NIN
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
M
N
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
--------
28
PsiBlast_CBE
74.35
44%
-54
- C1 -
-
2OLK
1
?
C:
[24-230]
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
NLN
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
-----
7
PsiBlast_PDB
73.90
44%
-28
- C1 -
-
4U00
1
?
A:
[4-206]
I
I
R
I
R
N
L
H
K
W
F
G
P
L
H
V
L
K
G
I
H
L
E
V
A
P
G
E
K
L
V
I
I
G
P
S
G
S
G
K
S
T
L
I
R
T
I
N
R
L
E
D
F
Q
E
G
E
V
V
V
D
G
L
S
V
-----
K
D
-----------
D
R
A
---
L
R
E
I
R
R
E
---
V
G
M
V
F
Q
Q
F
N
L
F
P
H
M
T
V
L
E
N
V
T
L
A
P
M
R
V
R
R
W
P
R
E
K
---
A
E
K
K
A
L
E
--
L
L
E
R
V
--
G
I
L
D
Q
A
R
K
-
Y
P
A
Q
L
S
G
G
Q
Q
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
D
V
M
R
D
-
L
A
Q
---
G
G
M
T
M
V
V
V
T
H
E
----
M
G
F
A
R
E
V
A
D
--------
23
PsiBlast_CBE
72.69
44%
-54
- C1 -
-
2Q0H
3
?
B:
[24-230]
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
NL
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
-----
87
PsiBlast_CBE
69.88
41%
-18
- C1 -
-
3FVQ
2
FBPC_NEIG1
B:
[5-210]
-
L
H
I
G
H
L
S
K
S
F
Q
N
T
P
V
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
FSKNT
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
REEA
L
Q
Y
A
D
R
I
A
---------
88
PsiBlast_CBE
69.76
41%
-19
- C1 -
-
3FVQ
2
FBPC_NEIG1
A:
[5-215]
-
L
H
I
G
H
L
S
K
S
F
Q
N
T
P
V
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
FSKN
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
---------
68
PsiBlast_CBE
64.51
37%
-100
- C1 -
-
1VCI
1
?
A:
[13-217]
-
V
K
L
E
N
L
T
K
R
F
G
N
F
T
A
V
N
K
L
N
L
T
I
K
D
G
E
F
L
V
L
L
G
P
S
G
C
G
K
T
T
T
L
R
M
I
A
G
L
E
E
P
T
E
G
R
I
Y
F
G
D
R
D
V
-----
T
Y
-----------
L
P
P
---
K
D
--
R
N
I
----
S
M
V
F
Q
------
H
M
T
V
Y
E
N
I
A
F
-
P
L
--
K
K
F
P
K
D
E
---
I
D
K
R
V
R
W
--
A
A
E
L
L
--
Q
I
E
E
L
L
N
R
-
Y
P
A
Q
L
S
G
G
Q
R
Q
R
V
A
V
A
R
A
I
V
V
E
P
D
V
L
L
M
D
E
P
L
S
N
L
D
A
K
L
R
V
A
M
R
A
E
I
-
K
K
L
----
Q
Q
K
---
L
K
V
T
T
I
Y
V
T
H
D
----
Q
V
E
A
M
T
M
G
D
--------
105
PsiBlast_CBE
55.78
34%
-47
- C1 -
-
2FF7
1
A:
[24-217]
---------------
I
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
RE
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
KIC
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
--