@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 : SA1309: (2016-03-24 )
MKAINIALDGPAAAGKSTIAKRVASELSMIYVDTGAMYRALTYKYLKLNKTEDFAKLVDQTTLDLTYKADKGQCVILDNEDVTDFLRNNDVTQHVSYVASKEPVRSFAVKKQKELAAEKGIVMDGRDIGTVVLPDADLKVYMIASVEERAERRYKDNQLRGIESNFEDLKRDIEARDQYDMNREISPLRKADDAVTLDTTGKSIEEVTDEILAMVSQIK
Atome Classification :
(32 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)
M
K
A
I
N
I
A
LDGPAAA
G
K
S
T
I
A
K
R
V
A
S
EL
S
M
I
Y
VDTG
A
M
Y
R
A
L
T
Y
K
Y
----
L
--K----LN---K--
T
E
----
D
F
A
K
L
V
DQT
T
L
--
D
L
T
Y
KAD---K
G
-
Q
C
-
V
I
LDN
E
D
V
T
D
F
L
RNN
D
V
T
Q
H
V
S
Y
V
ASKE
P
V
R
S
F
A
V
K
K
Q
K
E
L
A-AEK
G
-
I
V
MDGR
D
I
G
T
V
V
LPDAD
L
K
V
Y
M
I
A
S
V
E
E
R
A
E
R
RYKDNQLR
G
I
ES
N
F
E
D
L
K
R
D
I
E
A
R
D
QYDMNREISPLRKAD
D
A
V
T
LDTTGK
S
I
E
E
V
T
D
E
I
L
A
M
V
SQIK---
21
PsiBlast_CBE
94.90
100%
-90
- C1 -
2H92
2
KCY_STAAW
C:
[3-218]
--
A
I
N
I
A
L
D
G
P
A
A
A
G
K
S
T
I
A
K
R
V
A
S
E
L
S
M
I
Y
V
D
T
G
A
M
Y
R
A
L
T
Y
K
Y
----
L
--
K
----
L
N
---
K
--
T
E
----
D
F
A
K
L
V
D
Q
T
T
L
--
D
L
T
Y
K
A
D
---
K
G
-
Q
C
-
V
I
L
D
N
E
D
V
T
D
F
L
R
N
N
D
V
T
Q
H
V
S
Y
V
A
S
K
E
P
V
R
S
F
A
V
K
K
Q
K
E
L
A
-
A
E
K
G
-
I
V
M
D
G
R
D
I
G
T
V
V
L
P
D
A
D
L
K
V
Y
M
I
A
S
V
E
E
R
A
E
R
R
Y
K
D
N
Q
L
R
G
I
E
S
N
F
E
D
L
K
R
D
I
E
A
R
D
Q
Y
D
M
N
R
E
I
S
P
L
R
K
A
D
D
A
V
T
L
D
T
T
G
K
S
I
E
E
V
T
D
E
I
L
A
M
V
S
Q
I
----
1
PsiBlast_PDB
94.21
100%
-87
- C1 -
2H92
2
KCY_STAAW
A:
[3-218]
--
A
I
N
I
A
L
D
G
P
A
A
A
G
K
S
T
I
A
K
R
V
A
S
E
L
S
M
I
Y
V
D
T
G
A
M
Y
R
A
L
T
Y
K
Y
----
L
--
K
----
L
N
---
K
--
T
E
----
D
F
A
K
L
V
D
Q
T
T
L
--
D
L
T
Y
K
A
D
---
K
G
-
Q
C
-
V
I
L
D
N
E
D
V
T
D
F
L
R
N
N
D
V
T
Q
H
V
S
Y
V
A
S
K
E
P
V
R
S
F
A
V
K
K
Q
K
E
L
A
-
A
E
K
G
-
I
V
M
D
G
R
D
I
G
T
V
V
L
P
D
A
D
L
K
V
Y
M
I
A
S
V
E
E
R
A
E
R
R
Y
K
D
N
Q
L
R
G
I
E
S
N
F
E
D
L
K
R
D
I
E
A
R
D
Q
Y
D
M
N
R
E
I
S
P
L
R
K
A
D
D
A
V
T
L
D
T
T
G
K
S
I
E
E
V
T
D
E
I
L
A
M
V
S
Q
I
----
22
PsiBlast_CBE
93.37
100%
-88
- C1 -
2H92
3
KCY_STAAW
B:
[3-218]
--
A
I
N
I
A
L
D
G
P
A
A
A
G
K
S
T
I
A
K
R
V
A
S
E
L
S
M
I
Y
V
D
T
G
A
M
Y
R
A
L
T
Y
K
Y
----
L
--
K
----
L
N
---
K
--
T
E
----
D
F
A
K
L
V
D
Q
T
T
L
--
D
L
T
Y
K
A
D
---
K
G
-
Q
C
-
V
I
L
D
N
E
D
V
T
D
F
L
R
N
N
D
V
T
Q
H
V
S
Y
V
A
S
K
E
P
V
R
S
F
A
V
K
K
Q
K
E
L
A
-
A
E
K
G
-
I
V
M
D
G
R
D
I
G
T
V
V
L
P
D
A
D
L
K
V
Y
M
I
A
S
V
E
E
R
A
E
R
R
Y
K
D
N
Q
L
R
G
I
E
S
N
F
E
D
L
K
R
D
I
E
A
R
D
Q
Y
D
M
N
R
E
I
S
P
L
R
K
A
D
D
A
V
T
L
D
T
T
G
K
S
I
E
E
V
T
D
E
I
L
A
M
V
S
Q
I
----
102
HHSearch
91.98
98%
-84
- C1 -
2H92
2
KCY_STAAW
A:
[3-218]
--
A
I
N
I
A
L
D
G
P
A
A
A
G
K
S
T
I
A
K
R
V
A
S
E
L
S
M
I
Y
V
D
T
G
A
M
Y
R
A
L
T
Y
K
Y
----
L
--
K
----
L
N
---
K
--
T
E
----
D
F
A
K
L
V
D
Q
T
T
L
D
L
T
Y
K
A
--
D
---
K
G
-
Q
C
-
V
I
L
D
N
E
D
V
T
D
F
L
R
N
N
D
V
T
Q
H
V
S
Y
V
A
S
K
E
P
V
R
S
F
A
V
K
K
Q
K
E
L
A
-
A
E
K
G
-
I
V
M
D
G
R
D
I
G
T
V
V
L
P
D
A
D
L
K
V
Y
M
I
A
S
V
E
E
R
A
E
R
R
Y
K
D
N
Q
L
R
G
I
E
S
N
F
E
D
L
K
R
D
I
E
A
R
D
Q
Y
D
M
N
R
E
I
S
P
L
R
K
A
D
D
A
V
T
L
D
T
T
G
K
S
I
E
E
V
T
D
E
I
L
A
M
V
S
Q
I
----
2
PsiBlast_PDB
81.55
51%
-80
- C1 -
1Q3T
-
KCY_STRPN
A:
[14-230]
M
K
T
I
Q
I
A
I
D
G
P
A
S
S
G
K
S
T
V
A
K
I
I
A
K
D
F
G
F
T
Y
L
D
T
G
A
M
Y
R
A
A
T
Y
M
A
----
L
--
K
NQLG
V
E
---
E
--
V
E
----
A
L
L
A
L
L
D
Q
H
P
I
--
S
F
G
R
S
E
T
---
G
D
-
Q
L
-
V
F
V
G
D
V
D
I
T
H
P
I
R
E
N
E
V
T
N
H
V
S
A
I
A
A
I
P
E
V
R
E
K
L
V
S
L
Q
Q
E
I
A
-
Q
Q
G
G
-
I
V
M
D
G
R
D
I
G
T
V
V
L
P
Q
A
E
L
K
I
F
L
V
A
S
V
D
E
R
A
E
R
R
Y
K
E
N
I
A
K
G
I
E
T
D
L
E
T
L
K
K
E
I
A
A
R
D
Y
K
D
S
H
R
E
T
S
P
L
K
Q
A
E
D
A
V
Y
L
D
T
T
G
L
N
I
Q
E
V
V
E
K
I
K
A
---------
4
PsiBlast_PDB
76.05
41%
-94
- C1 -
4DIE
2
?
A:
[7-220]
-----
V
A
V
D
G
P
S
G
T
G
K
S
S
V
A
K
E
L
A
R
Q
L
G
A
S
Y
L
D
T
G
A
M
Y
R
I
V
T
L
W
V
----
L
--
R
A
GVD
L
T
---
D
--
P
A
----
A
I
A
A
A
T
D
Q
V
P
M
--
S
V
S
S
D
P
D
---
A
--
Q
T
-
A
L
L
A
G
E
D
V
S
V
P
I
R
G
N
E
V
T
G
A
V
S
A
V
S
A
V
P
A
V
R
E
R
L
V
R
Q
Q
R
E
L
A
-
E
S
S
G
A
V
V
V
E
G
R
D
I
G
T
V
V
L
P
D
A
D
V
K
I
Y
L
T
A
S
A
Q
A
R
A
Q
R
R
N
A
Q
N
-----------
V
L
A
D
V
Q
R
R
D
H
L
D
S
T
R
----
L
R
P
A
E
D
A
L
E
V
D
T
S
D
M
T
Q
E
Q
V
V
A
H
L
L
D
L
V
-------
3
PsiBlast_PDB
75.68
41%
-93
- C1 -
3R8C
-
?
A:
[2-215]
-----
V
A
V
D
G
P
S
G
T
G
K
S
S
V
A
K
E
L
A
R
Q
L
G
A
S
Y
L
D
T
G
A
M
Y
R
I
V
T
L
W
V
----
L
--
R
A
GVD
L
T
---
D
--
P
A
----
A
I
A
A
A
T
D
Q
V
P
M
--
S
V
S
S
D
P
D
---
A
--
Q
T
-
A
L
L
A
G
E
D
V
S
V
P
I
R
G
N
E
V
T
G
A
V
S
A
V
S
A
V
P
A
V
R
E
R
L
V
R
Q
Q
R
E
L
A
-
E
S
S
G
A
V
V
V
E
G
R
D
I
G
T
V
V
L
P
D
A
D
V
K
I
Y
L
T
A
S
A
Q
A
R
A
Q
R
R
N
---------------
L
A
D
V
Q
R
R
D
H
L
-------
P
L
R
P
A
E
D
A
L
E
V
D
T
S
D
M
T
Q
E
Q
V
V
A
H
L
L
D
L
V
-------
24
PsiBlast_CBE
73.55
41%
-86
- C1 -
4DIE
2
?
C:
[7-220]
-----
V
A
V
D
G
P
S
G
T
G
K
S
S
V
A
K
E
L
A
R
Q
L
G
A
S
Y
L
D
T
G
A
M
Y
R
I
V
T
L
W
V
----
L
--
R
A
GVD
L
T
---
D
--
P
A
----
A
I
A
A
A
T
D
Q
V
P
M
--
S
V
S
S
D
P
D
---
A
--
Q
T
-
A
L
L
A
G
E
D
V
S
V
P
I
R
G
N
E
V
T
G
A
V
S
A
V
S
A
V
P
A
V
R
E
R
L
V
R
Q
Q
R
E
L
A
-
E
S
S
G
A
V
V
V
E
G
R
D
I
G
T
V
V
L
P
D
A
D
V
K
I
Y
L
T
A
S
A
Q
A
R
A
Q
R
R
N
A
Q
N
V
S
-------
E
K
V
L
A
D
V
Q
R
R
D
H
L
D
S
T
R
A
V
S
P
L
R
P
A
E
D
A
L
E
V
D
T
S
D
M
T
Q
E
Q
V
V
A
H
L
L
D
L
V
-------
23
PsiBlast_CBE
73.13
41%
-91
- C1 -
4DIE
2
?
D:
[7-220]
-----
V
A
V
D
G
P
S
G
T
G
K
S
S
V
A
K
E
L
A
R
Q
L
G
A
S
Y
L
D
T
G
A
M
Y
R
I
V
T
L
W
V
----
L
--
R
A
GVD
L
T
---
D
--
P
A
----
A
I
A
A
A
T
D
Q
V
P
M
--
S
V
S
S
D
P
D
---
A
--
Q
T
-
A
L
L
A
G
E
D
V
S
V
P
I
R
G
N
E
V
T
G
A
V
S
A
V
S
A
V
P
A
V
R
E
R
L
V
R
Q
Q
R
E
L
A
-
E
S
S
G
A
V
V
V
E
G
R
D
I
G
T
V
V
L
P
D
A
D
V
K
I
Y
L
T
A
S
A
Q
A
R
A
Q
R
--------------------
V
Q
R
R
D
H
L
D
S
T
R
A
V
S
P
L
R
P
A
E
D
A
L
E
V
D
T
S
D
M
T
Q
E
Q
V
V
A
H
L
L
D
L
V
-------
5
PsiBlast_PDB
72.71
38%
-82
- C1 -
4E22
2
KCY_YERPY
A:
[30-245]
-----
I
T
V
D
G
P
S
G
A
G
K
G
T
L
C
K
A
L
A
E
S
L
N
W
R
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
H
H
Q
----
V
D
---
I
--
S
T
----
E
E
A
L
V
P
L
A
A
H
L
--
D
V
R
F
V
S
Q
---
N
G
-
Q
L
Q
V
I
L
E
G
E
D
V
S
N
E
I
R
T
E
T
V
G
N
T
A
S
Q
A
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
A
P
G
-
L
I
A
D
G
R
D
M
G
T
I
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
Q
E
R
A
H
R
R
M
L
Q
L
Q
E
R
G
F
N
V
N
F
E
R
L
L
A
E
I
Q
------------
P
L
V
P
A
A
D
A
L
V
L
D
S
T
S
M
S
I
E
Q
V
I
E
Q
A
L
A
Y
A
Q
R
I
----
18
PsiBlast_PDB
72.30
33%
-95
- C1 -
3W90
-
KCY_THET8
A:
[3-207]
--
G
I
-
V
T
I
D
G
P
S
A
S
G
K
S
S
V
A
R
R
V
A
A
A
L
G
V
P
Y
L
S
S
G
L
L
Y
R
A
A
A
F
L
A
L
R
A
G
V
----------------
E
----
G
L
L
A
L
L
E
G
L
G
V
--
R
L
L
A
Q
A
E
----
G
-
N
R
-
V
L
A
D
G
E
D
L
T
S
F
L
H
T
P
E
V
D
R
V
V
S
A
V
A
R
L
P
G
V
R
A
W
V
N
R
R
L
K
E
V
P
-
P
P
---
F
V
A
E
G
R
D
M
G
T
A
V
F
P
E
A
A
H
K
F
Y
L
T
A
S
P
E
V
R
A
W
R
R
A
R
E
-------
Q
A
Y
E
E
V
L
R
D
L
L
R
R
D
E
R
D
K
A
Q
S
A
----
P
A
P
D
A
L
V
L
D
T
G
G
M
T
L
D
E
V
V
A
W
V
L
A
H
I
R
------
122
Fugue
72.00
36%
-87
- C1 -
1CKE
1
KCY_ECOLI
A:
[3-227]
A
I
A
P
V
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
H
HVD
V
A
---
S
--
E
D
----
A
L
V
P
L
A
S
H
L
D
V
--
R
F
V
S
T
-
N
---
G
N
-
L
E
-
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
V
K
G
F
S
V
N
F
E
R
L
L
A
E
I
-------------
K
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
K
L
ALA
25
PsiBlast_CBE
71.95
41%
-91
- C1 -
4DIE
2
?
B:
[7-220]
-----
V
A
V
D
G
P
S
G
T
G
K
S
S
V
A
K
E
L
A
R
Q
L
G
A
S
Y
L
D
T
G
A
M
Y
R
I
V
T
L
W
V
----
L
--
R
A
GVD
L
T
---
D
--
P
A
----
A
I
A
A
A
T
D
Q
V
P
M
--
S
V
S
S
D
P
D
---
A
--
Q
T
-
A
L
L
A
G
E
D
V
S
V
P
I
R
G
N
E
V
T
G
A
V
S
A
V
S
A
V
P
A
V
R
E
R
L
V
R
Q
Q
R
E
L
A
-
E
S
S
G
A
V
V
V
E
G
R
D
I
G
T
V
V
L
P
D
A
D
V
K
I
Y
L
T
A
S
A
Q
A
R
A
Q
R
R
N
-------------------
Q
R
R
D
H
L
D
S
T
R
A
V
S
P
L
R
P
A
E
D
A
L
E
V
D
T
S
D
M
T
Q
E
Q
V
V
A
H
L
L
D
L
V
-------
17
PsiBlast_PDB
71.56
33%
-87
- C1 -
3AKE
2
KCY_THET8
A:
[1-208]
M
R
G
I
-
V
T
I
D
G
P
S
A
S
G
K
S
S
V
A
R
R
V
A
A
A
L
G
V
P
Y
L
S
S
G
L
L
Y
R
A
A
A
F
L
A
L
R
A
G
V
--
D
----
P
G
---
D
--
E
E
----
G
L
L
A
L
L
E
G
L
G
V
--
R
L
L
A
Q
A
E
----
G
-
N
R
-
V
L
A
D
G
E
D
L
T
S
F
L
H
T
P
E
V
D
R
V
V
S
A
V
A
R
L
P
G
V
R
A
W
V
N
R
R
L
K
E
V
P
-
P
P
---
F
V
A
E
G
R
D
M
G
T
A
V
F
P
E
A
A
H
K
F
Y
L
T
A
S
P
E
V
R
A
W
R
R
A
R
E
R
P
-----
Q
A
Y
E
E
V
L
R
D
L
L
R
R
D
E
R
D
--
Q
S
A
----
P
A
P
D
A
L
V
L
D
T
G
G
M
T
L
D
E
V
V
A
W
V
L
A
H
I
R
R
-----
103
HHSearch
71.23
38%
-85
- C1 -
1CKE
1
KCY_ECOLI
A:
[3-222]
A
I
A
P
V
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
----
H
H
---
V
--
D
V
AS
E
D
A
L
V
P
L
A
S
H
L
D
V
--
R
F
V
S
T
N
G
----
N
-
L
E
-
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
V
K
G
F
S
V
N
F
E
R
L
L
A
E
I
K
-------------
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
-----
104
HHSearch
71.16
37%
-74
* C1 *
3R20
4
?
A:
[9-225]
--
S
L
V
V
A
V
D
G
P
A
G
T
G
K
S
S
V
S
R
G
L
A
R
A
L
G
A
R
Y
L
D
T
G
A
M
Y
R
I
A
T
L
A
V
----
L
--
R
----
A
G
---
A
--
D
L
TD
P
A
A
I
E
K
A
A
A
D
A
E
I
--
G
V
G
S
-
D
P
---
D
V
-
D
A
-
A
F
L
A
G
E
D
V
S
S
E
I
R
G
D
A
V
T
G
A
V
S
A
V
S
A
V
P
A
V
R
T
R
L
V
D
I
Q
R
K
L
A
T
E
G
G
R
-
V
V
V
E
G
R
D
I
G
T
V
V
L
P
D
A
D
V
K
I
F
L
T
A
S
A
E
E
R
A
R
R
R
N
A
Q
N
V
A
N
G
L
P
D
D
Y
A
T
V
L
A
D
V
Q
R
R
D
H
L
D
S
T
R
P
V
S
P
L
R
A
A
D
D
A
L
V
V
D
T
S
D
M
D
Q
A
Q
V
I
A
H
L
L
D
L
V
-------
16
PsiBlast_PDB
69.58
33%
-89
- C1 -
3AKD
1
KCY_THET8
A:
[1-208]
M
R
G
I
-
V
T
I
D
G
P
S
A
S
G
K
S
S
V
A
R
R
V
A
A
A
L
G
V
P
Y
L
S
S
G
L
L
Y
R
A
A
A
F
L
A
L
R
A
G
V
--
D
----
P
G
---
D
--
E
E
----
G
L
L
A
L
L
E
G
L
G
V
--
R
L
L
A
Q
A
E
----
G
-
N
R
-
V
L
A
D
G
E
D
L
T
S
F
L
H
T
P
E
V
D
R
V
V
S
A
V
A
R
L
P
G
V
R
A
W
V
N
R
R
L
K
E
V
P
-
P
P
---
F
V
A
E
G
R
D
M
G
T
A
V
F
P
E
A
A
H
K
F
Y
L
T
A
S
P
E
V
R
A
W
R
R
A
R
E
R
P
-----
Q
A
Y
E
E
V
L
R
D
L
L
R
R
D
------
S
A
----
P
A
P
D
A
L
V
L
D
T
G
G
M
T
L
D
E
V
V
A
W
V
L
A
H
I
R
R
-----
13
PsiBlast_PDB
69.26
38%
-76
- C1 -
2FEM
-
KCY_ECOLI
A:
[8-222]
-----
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
----
H
H
VDV
A
--
S
E
----
D
-
A
L
V
P
L
A
S
H
L
--
D
V
R
F
V
S
T
---
N
G
-
N
L
E
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
E
K
G
F
S
V
N
F
E
R
L
L
A
E
I
K
-------------
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
-----
12
PsiBlast_PDB
68.92
39%
-69
- C1 -
1KDT
3
KCY_ECOLI
A:
[8-222]
-----
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
----
H
H
VDV
A
--
S
E
----
D
-
A
L
V
P
L
A
S
H
L
--
D
V
R
F
V
S
T
---
N
G
-
N
L
E
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
E
K
G
F
S
V
N
F
E
R
L
L
A
E
I
K
E
R
D
D
R
D
R
N
R
A
V
A
P
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
-----
6
PsiBlast_PDB
68.83
39%
-75
- C1 -
1CKE
1
KCY_ECOLI
A:
[8-222]
-----
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
----
H
H
VDV
A
--
S
E
----
D
-
A
L
V
P
L
A
S
H
L
--
D
V
R
F
V
S
T
---
N
G
-
N
L
E
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
V
K
G
F
S
V
N
F
E
R
L
L
A
E
I
K
-------------
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
-----
7
PsiBlast_PDB
68.54
39%
-62
- C1 -
3R20
4
?
A:
[12-225]
-----
V
A
V
D
G
P
A
G
T
G
K
S
S
V
S
R
G
L
A
R
A
L
G
A
R
Y
L
D
T
G
A
M
Y
R
I
A
T
L
A
V
----
L
--
R
----
A
G
---
A
DL
T
D
----
P
A
A
I
E
K
A
A
A
D
A
--
E
I
G
V
G
S
D
---
P
D
V
D
A
-
A
F
L
A
G
E
D
V
S
S
E
I
R
G
D
A
V
T
G
A
V
S
A
V
S
A
V
P
A
V
R
T
R
L
V
D
I
Q
R
K
L
A
-
T
E
G
G
R
V
V
V
E
G
R
D
I
G
T
V
V
L
P
D
A
D
V
K
I
F
L
T
A
S
A
E
E
R
A
R
R
R
N
A
Q
N
V
A
N
G
L
P
D
D
Y
A
T
V
L
A
D
V
Q
R
R
D
H
L
D
S
T
R
P
V
S
P
L
R
A
A
D
D
A
L
V
V
D
T
S
D
M
D
Q
A
Q
V
I
A
H
L
L
D
L
V
-------
8
PsiBlast_PDB
68.29
39%
-71
- C1 -
2CMK
3
KCY_ECOLI
A:
[8-222]
-----
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
----
H
H
VDV
A
--
S
E
----
D
-
A
L
V
P
L
A
S
H
L
--
D
V
R
F
V
S
T
---
N
G
-
N
L
E
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
E
K
G
F
S
V
N
F
E
R
L
L
A
E
I
K
E
R
D
D
R
D
R
N
R
A
V
A
P
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
-----
15
PsiBlast_PDB
67.56
33%
-83
- C1 -
3AKC
3
KCY_THET8
A:
[1-208]
M
R
G
I
-
V
T
I
D
G
P
S
A
S
G
K
S
S
V
A
R
R
V
A
A
A
L
G
V
P
Y
L
S
S
G
L
L
Y
R
A
A
A
F
L
A
L
R
A
G
V
--
D
----
P
G
---
D
--
E
E
----
G
L
L
A
L
L
E
G
L
G
V
--
R
L
L
A
Q
A
E
----
G
-
N
R
-
V
L
A
D
G
E
D
L
T
S
F
L
H
T
P
E
V
D
R
V
V
S
A
V
A
R
L
P
G
V
R
A
W
V
N
R
R
L
K
E
V
P
-
P
P
---
F
V
A
E
G
R
D
M
G
T
A
V
F
P
E
A
A
H
K
F
Y
L
T
A
S
P
E
V
R
A
W
R
R
A
R
E
R
P
-----
Q
A
Y
E
E
V
L
R
D
L
L
R
R
D
E
R
D
K
A
Q
S
A
----
P
A
P
D
A
L
V
L
D
T
G
G
M
T
L
D
E
V
V
A
W
V
L
A
H
I
R
R
-----
26
PsiBlast_CBE
66.85
39%
-64
- C1 -
1KDT
2
KCY_ECOLI
B:
[8-222]
-----
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
----
H
H
VDV
A
--
S
E
----
D
-
A
L
V
P
L
A
S
H
L
--
D
V
R
F
V
S
T
---
N
G
-
N
L
E
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
E
K
G
F
S
V
N
F
E
R
L
L
A
E
I
K
E
R
D
D
R
D
R
N
R
A
V
A
P
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
-----
29
PsiBlast_CBE
66.32
39%
-69
- C1 -
1KDO
3
KCY_ECOLI
B:
[8-222]
-----
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
----
H
H
VDV
A
--
S
E
----
D
-
A
L
V
P
L
A
S
H
L
--
D
V
R
F
V
S
T
---
N
G
-
N
L
E
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
E
K
G
F
S
V
N
F
E
R
L
L
A
E
I
K
E
R
D
D
R
D
R
N
R
A
V
A
P
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
-----
28
PsiBlast_CBE
66.22
39%
-65
- C1 -
1KDP
2
KCY_ECOLI
B:
[8-222]
-----
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
----
H
H
VDV
A
--
S
E
----
D
-
A
L
V
P
L
A
S
H
L
--
D
V
R
F
V
S
T
---
N
G
-
N
L
E
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
E
K
G
F
S
V
N
F
E
R
L
L
A
E
I
K
E
R
D
D
R
D
R
N
R
A
V
A
P
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
-----
9
PsiBlast_PDB
66.05
39%
-64
- C1 -
1KDO
4
KCY_ECOLI
A:
[8-222]
-----
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
----
H
H
VDV
A
--
S
E
----
D
-
A
L
V
P
L
A
S
H
L
--
D
V
R
F
V
S
T
---
N
G
-
N
L
E
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
E
K
G
F
S
V
N
F
E
R
L
L
A
E
I
K
E
R
D
D
R
D
R
N
R
A
V
A
P
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
-----
11
PsiBlast_PDB
65.98
39%
-63
- C1 -
1KDR
2
KCY_ECOLI
A:
[8-222]
-----
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
----
H
H
VDV
A
--
S
E
----
D
-
A
L
V
P
L
A
S
H
L
--
D
V
R
F
V
S
T
---
N
G
-
N
L
E
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
E
K
G
F
S
V
N
F
E
R
L
L
A
E
I
K
E
R
D
D
R
D
R
N
R
A
V
A
P
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
-----
10
PsiBlast_PDB
65.98
39%
-62
- C1 -
1KDP
2
KCY_ECOLI
A:
[8-222]
-----
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
----
H
H
VDV
A
--
S
E
----
D
-
A
L
V
P
L
A
S
H
L
--
D
V
R
F
V
S
T
---
N
G
-
N
L
E
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
E
K
G
F
S
V
N
F
E
R
L
L
A
E
I
K
E
R
D
D
R
D
R
N
R
A
V
A
P
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
-----
27
PsiBlast_CBE
63.82
39%
-62
- C1 -
1KDR
3
KCY_ECOLI
B:
[8-222]
-----
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
----
H
H
VDV
A
--
S
E
----
D
-
A
L
V
P
L
A
S
H
L
--
D
V
R
F
V
S
T
---
N
G
-
N
L
E
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
E
K
G
F
S
V
N
F
E
R
L
L
A
E
I
K
E
R
D
D
R
D
R
N
R
A
V
A
P
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
-----
106
HHSearch
63.27
34%
-62
- C1 -
3AKE
2
KCY_THET8
A:
[1-207]
-
M
R
G
I
V
T
I
D
G
P
S
A
S
G
K
S
S
V
A
R
R
V
A
A
A
L
G
V
P
Y
L
S
S
G
L
L
Y
R
A
A
A
F
L
A
----
L
--
R
----
A
G
---
V
--
D
P
----
G
D
E
E
G
L
L
A
L
L
E
--
G
L
G
V
R
L
L
A
Q
A
E
G
-
N
R
-
V
L
A
D
G
E
D
L
T
S
F
L
H
T
P
E
V
D
R
V
V
S
A
V
A
R
L
P
G
V
R
A
W
V
N
R
R
L
K
--
E
-
V
P
P
P
-
F
V
A
E
G
R
D
M
G
T
A
V
F
P
E
A
A
H
K
F
Y
L
T
A
S
P
E
V
R
A
W
R
R
A
R
E
R
P
-----
Q
A
Y
E
E
V
L
R
D
L
L
R
R
D
-
E
R
D
-----
Q
S
A
P
A
P
D
A
L
V
L
D
T
G
G
M
T
L
D
E
V
V
A
W
V
L
A
H
I
R
------
14
PsiBlast_PDB
62.06
38%
-64
- C1 -
2FEO
2
KCY_ECOLI
A:
[8-222]
-----
I
T
I
D
G
P
S
G
A
G
K
G
T
L
C
K
A
M
A
E
A
L
Q
W
H
L
L
D
S
G
A
I
Y
R
V
L
A
L
A
A
----
L
--
H
----
H
H
VDV
A
--
S
E
----
D
-
A
L
V
P
L
A
S
H
L
--
D
V
R
F
V
S
T
---
N
G
-
N
L
E
V
I
L
E
G
E
D
V
S
G
E
I
R
T
Q
E
V
A
N
A
A
S
Q
V
A
A
F
P
R
V
R
E
A
L
L
R
R
Q
R
A
F
R
-
E
L
P
G
-
L
I
A
D
G
R
D
M
G
T
V
V
F
P
D
A
P
V
K
I
F
L
D
A
S
S
E
E
R
A
H
R
R
M
L
Q
L
Q
E
K
G
F
S
V
N
F
E
R
L
L
A
E
I
K
E
R
D
D
R
D
R
N
M
A
V
A
P
L
V
P
A
A
D
A
L
V
L
D
S
T
T
L
S
I
E
Q
V
I
E
K
A
L
Q
Y
A
R
Q
-----