@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 : Rv0945: (2016-04-27 )
MLTGVTRQKILITGASSGLGAGMARSFAAQGRDLALCARRTDRLTELKAELSQRYPDIKIAVAELDVNDHERVPKVFAELSDEIGGIDRVIVNAGIGKGARLGSGKLWANKATIETNLVAALVQIETALDMFNQRGSGHLVLISSVLGVKGVPGVKAAYAASKAGVRSLGESLRAEYAQRPIRVTVLEPGYIESEMTAKSASTMLMVDNATGVKALVAAIEREPGRAAVPWWPWAPLVRLMWVLPPRLTRRFA
Atome Classification :
(33 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.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MLTGV
T
R
Q
K
I
L
I
T
GASSG
L
G
A
G
M
A
R
S
F
--
A
AQGR-
D
L
A
L
-
C
A
R
RT
D
R
L
T
E
L
K
A
E
L
-
S
Q
RYPD
I
K
I
A
V
A
E
LDVN
D
H
E
R
V
P
K
V
F
A
E
L
S
D
EIGG
I
D
R
V
I
V
NAGI-GKG---A-RLGSG-------
K
L
W
ANKA
T
I
E
T
N
L
V
A
A
L
---
V
Q
I
E
T
A
L
-
D
M
F
NQRG--SG
H
L
V
L
I
S
S
VLGVKGVP-G
V
K
A
A
-
Y
A
A
S
K
A
G
V
R
S
L
G
E
S
L
R
A
E
Y
--AQR
P
I
R
V
T
V
LEPGYIE
S
E
MTAKS
A
S
T
M
L
M
VDNAT
G
V
K
A
L
V
A
A
I
EREPGRAAVPWW
P
W
A
P
L
V
R
L
M
W
VL
P
P
R
L
T
RRFA
58
PsiBlast_CBE
84.74
37%
-101
- C1 -
2JAP
2
?
A:
[11-192]
----------
L
I
T
G
A
S
S
G
I
G
E
A
T
A
R
A
L
--
A
A
E
G
A
-
A
V
A
I
-
A
A
R
R
V
E
K
L
R
A
L
G
D
E
L
-
T
A
--
A
G
A
K
V
H
V
L
E
L
D
V
A
D
R
Q
G
V
D
A
A
V
A
S
T
V
E
A
L
G
G
L
D
I
L
V
N
N
A
G
I
-
M
L
L
---
G
-
P
V
E
D
A
-------
D
T
T
D
W
T
R
M
I
D
T
N
L
L
G
L
M
---
Y
M
T
R
A
A
L
-
P
H
L
-
L
R
S
--
K
G
T
V
V
Q
M
S
S
I
A
G
R
V
N
V
R
-
N
A
-
A
V
-
Y
Q
A
T
K
F
G
V
N
A
F
S
E
T
L
R
Q
E
V
--
T
E
R
G
V
R
V
V
V
I
E
P
G
T
T
D
T
E
L
---------------------------------------------------------
56
PsiBlast_CBE
84.32
37%
-102
- C1 -
2JAP
2
?
C:
[11-192]
----------
L
I
T
G
A
S
S
G
I
G
E
A
T
A
R
A
L
--
A
A
E
G
A
-
A
V
A
I
-
A
A
R
R
V
E
K
L
R
A
L
G
D
E
L
-
T
A
--
A
G
A
K
V
H
V
L
E
L
D
V
A
D
R
Q
G
V
D
A
A
V
A
S
T
V
E
A
L
G
G
L
D
I
L
V
N
N
A
G
I
-
M
L
L
---
G
-
P
V
E
D
A
-------
D
T
T
D
W
T
R
M
I
D
T
N
L
L
G
L
M
---
Y
M
T
R
A
A
L
-
P
H
L
-
L
R
S
--
K
G
T
V
V
Q
M
S
S
I
A
G
R
V
N
V
R
-
N
A
-
A
V
-
Y
Q
A
T
K
F
G
V
N
A
F
S
E
T
L
R
Q
E
V
--
T
E
R
G
V
R
V
V
V
I
E
P
G
T
T
D
T
E
L
---------------------------------------------------------
57
PsiBlast_CBE
84.19
37%
-103
- C1 -
2JAP
2
?
B:
[11-192]
----------
L
I
T
G
A
S
S
G
I
G
E
A
T
A
R
A
L
--
A
A
E
G
A
-
A
V
A
I
-
A
A
R
R
V
E
K
L
R
A
L
G
D
E
L
-
T
A
--
A
G
A
K
V
H
V
L
E
L
D
V
A
D
R
Q
G
V
D
A
A
V
A
S
T
V
E
A
L
G
G
L
D
I
L
V
N
N
A
G
I
-
M
L
L
---
G
-
P
V
E
D
A
-------
D
T
T
D
W
T
R
M
I
D
T
N
L
L
G
L
M
---
Y
M
T
R
A
A
L
-
P
H
L
-
L
R
S
--
K
G
T
V
V
Q
M
S
S
I
A
G
R
V
N
V
R
-
N
A
-
A
V
-
Y
Q
A
T
K
F
G
V
N
A
F
S
E
T
L
R
Q
E
V
--
T
E
R
G
V
R
V
V
V
I
E
P
G
T
T
D
T
E
L
---------------------------------------------------------
55
PsiBlast_CBE
83.87
37%
-103
- C1 -
2JAP
2
?
D:
[11-192]
----------
L
I
T
G
A
S
S
G
I
G
E
A
T
A
R
A
L
--
A
A
E
G
A
-
A
V
A
I
-
A
A
R
R
V
E
K
L
R
A
L
G
D
E
L
-
T
A
--
A
G
A
K
V
H
V
L
E
L
D
V
A
D
R
Q
G
V
D
A
A
V
A
S
T
V
E
A
L
G
G
L
D
I
L
V
N
N
A
G
I
-
M
L
L
---
G
-
P
V
E
D
A
-------
D
T
T
D
W
T
R
M
I
D
T
N
L
L
G
L
M
---
Y
M
T
R
A
A
L
-
P
H
L
-
L
R
S
--
K
G
T
V
V
Q
M
S
S
I
A
G
R
V
N
V
R
-
N
A
-
A
V
-
Y
Q
A
T
K
F
G
V
N
A
F
S
E
T
L
R
Q
E
V
--
T
E
R
G
V
R
V
V
V
I
E
P
G
T
T
D
T
E
L
---------------------------------------------------------
32
PsiBlast_CBE
80.87
31%
-88
- C1 -
1IY8
2
LVR_LEIAQ
C:
[10-229]
---
R
F
T
D
R
V
V
L
I
T
G
G
G
S
G
L
G
R
A
T
A
V
R
L
--
A
A
E
G
A
-
K
L
S
L
-
V
D
V
S
S
E
G
L
E
A
S
K
A
A
V
-
L
E
T
A
P
D
A
E
V
L
T
T
V
A
D
V
S
D
E
A
Q
V
E
A
Y
V
T
A
T
T
E
R
F
G
R
I
D
G
F
F
N
N
A
G
I
E
G
K
Q
---
N
-
P
T
E
S
F
-------
T
A
A
E
F
D
K
V
V
S
I
N
L
R
G
V
F
---
L
G
L
E
K
V
L
-
K
I
M
R
E
Q
G
--
S
G
M
V
V
N
T
A
S
V
G
G
I
R
G
I
--
G
N
Q
S
G
-
Y
A
A
A
K
H
G
V
V
G
L
T
R
N
S
A
V
E
Y
--
G
R
Y
G
I
R
I
N
A
I
A
P
G
A
I
W
T
P
M
V
E
N
S
---
M
K
Q
L
D
P
E
N
P
R
K
A
A
E
E
F
I
Q
V
N
P
S
K
---------------------------
30
PsiBlast_CBE
80.55
31%
-90
- C1 -
1IY8
2
LVR_LEIAQ
E:
[10-229]
---
R
F
T
D
R
V
V
L
I
T
G
G
G
S
G
L
G
R
A
T
A
V
R
L
--
A
A
E
G
A
-
K
L
S
L
-
V
D
V
S
S
E
G
L
E
A
S
K
A
A
V
-
L
E
T
A
P
D
A
E
V
L
T
T
V
A
D
V
S
D
E
A
Q
V
E
A
Y
V
T
A
T
T
E
R
F
G
R
I
D
G
F
F
N
N
A
G
I
E
G
K
Q
---
N
-
P
T
E
S
F
-------
T
A
A
E
F
D
K
V
V
S
I
N
L
R
G
V
F
---
L
G
L
E
K
V
L
-
K
I
M
R
E
Q
G
--
S
G
M
V
V
N
T
A
S
V
G
G
I
R
G
I
--
G
N
Q
S
G
-
Y
A
A
A
K
H
G
V
V
G
L
T
R
N
S
A
V
E
Y
--
G
R
Y
G
I
R
I
N
A
I
A
P
G
A
I
W
T
P
M
V
E
N
S
---
M
K
Q
L
D
P
E
N
P
R
K
A
A
E
E
F
I
Q
V
N
P
S
K
---------------------------
31
PsiBlast_CBE
79.30
31%
-88
- C1 -
1IY8
2
LVR_LEIAQ
D:
[10-229]
---
R
F
T
D
R
V
V
L
I
T
G
G
G
S
G
L
G
R
A
T
A
V
R
L
--
A
A
E
G
A
-
K
L
S
L
-
V
D
V
S
S
E
G
L
E
A
S
K
A
A
V
-
L
E
T
A
P
D
A
E
V
L
T
T
V
A
D
V
S
D
E
A
Q
V
E
A
Y
V
T
A
T
T
E
R
F
G
R
I
D
G
F
F
N
N
A
G
I
E
G
K
Q
---
N
-
P
T
E
S
F
-------
T
A
A
E
F
D
K
V
V
S
I
N
L
R
G
V
F
---
L
G
L
E
K
V
L
-
K
I
M
R
E
Q
G
--
S
G
M
V
V
N
T
A
S
V
G
G
I
R
G
I
--
G
N
Q
S
G
-
Y
A
A
A
K
H
G
V
V
G
L
T
R
N
S
A
V
E
Y
--
G
R
Y
G
I
R
I
N
A
I
A
P
G
A
I
W
T
P
M
V
E
N
S
---
M
K
Q
L
D
P
E
N
P
R
K
A
A
E
E
F
I
Q
V
N
P
S
K
---------------------------
29
PsiBlast_CBE
79.07
31%
-88
- C1 -
1IY8
2
LVR_LEIAQ
F:
[10-229]
---
R
F
T
D
R
V
V
L
I
T
G
G
G
S
G
L
G
R
A
T
A
V
R
L
--
A
A
E
G
A
-
K
L
S
L
-
V
D
V
S
S
E
G
L
E
A
S
K
A
A
V
-
L
E
T
A
P
D
A
E
V
L
T
T
V
A
D
V
S
D
E
A
Q
V
E
A
Y
V
T
A
T
T
E
R
F
G
R
I
D
G
F
F
N
N
A
G
I
E
G
K
Q
---
N
-
P
T
E
S
F
-------
T
A
A
E
F
D
K
V
V
S
I
N
L
R
G
V
F
---
L
G
L
E
K
V
L
-
K
I
M
R
E
Q
G
--
S
G
M
V
V
N
T
A
S
V
G
G
I
R
G
I
--
G
N
Q
S
G
-
Y
A
A
A
K
H
G
V
V
G
L
T
R
N
S
A
V
E
Y
--
G
R
Y
G
I
R
I
N
A
I
A
P
G
A
I
W
T
P
M
V
E
N
S
---
M
K
Q
L
D
P
E
N
P
R
K
A
A
E
E
F
I
Q
V
N
P
S
K
---------------------------
28
PsiBlast_CBE
79.01
31%
-87
- C1 -
1IY8
2
LVR_LEIAQ
G:
[10-229]
---
R
F
T
D
R
V
V
L
I
T
G
G
G
S
G
L
G
R
A
T
A
V
R
L
--
A
A
E
G
A
-
K
L
S
L
-
V
D
V
S
S
E
G
L
E
A
S
K
A
A
V
-
L
E
T
A
P
D
A
E
V
L
T
T
V
A
D
V
S
D
E
A
Q
V
E
A
Y
V
T
A
T
T
E
R
F
G
R
I
D
G
F
F
N
N
A
G
I
E
G
K
Q
---
N
-
P
T
E
S
F
-------
T
A
A
E
F
D
K
V
V
S
I
N
L
R
G
V
F
---
L
G
L
E
K
V
L
-
K
I
M
R
E
Q
G
--
S
G
M
V
V
N
T
A
S
V
G
G
I
R
G
I
--
G
N
Q
S
G
-
Y
A
A
A
K
H
G
V
V
G
L
T
R
N
S
A
V
E
Y
--
G
R
Y
G
I
R
I
N
A
I
A
P
G
A
I
W
T
P
M
V
E
N
S
---
M
K
Q
L
D
P
E
N
P
R
K
A
A
E
E
F
I
Q
V
N
P
S
K
---------------------------
4
PsiBlast_PDB
78.73
31%
-89
- C1 -
1IY8
2
LVR_LEIAQ
A:
[10-229]
---
R
F
T
D
R
V
V
L
I
T
G
G
G
S
G
L
G
R
A
T
A
V
R
L
--
A
A
E
G
A
-
K
L
S
L
-
V
D
V
S
S
E
G
L
E
A
S
K
A
A
V
-
L
E
T
A
P
D
A
E
V
L
T
T
V
A
D
V
S
D
E
A
Q
V
E
A
Y
V
T
A
T
T
E
R
F
G
R
I
D
G
F
F
N
N
A
G
I
E
G
K
Q
---
N
-
P
T
E
S
F
-------
T
A
A
E
F
D
K
V
V
S
I
N
L
R
G
V
F
---
L
G
L
E
K
V
L
-
K
I
M
R
E
Q
G
--
S
G
M
V
V
N
T
A
S
V
G
G
I
R
G
I
--
G
N
Q
S
G
-
Y
A
A
A
K
H
G
V
V
G
L
T
R
N
S
A
V
E
Y
--
G
R
Y
G
I
R
I
N
A
I
A
P
G
A
I
W
T
P
M
V
E
N
S
---
M
K
Q
L
D
P
E
N
P
R
K
A
A
E
E
F
I
Q
V
N
P
S
K
---------------------------
27
PsiBlast_CBE
77.48
31%
-89
- C1 -
1IY8
2
LVR_LEIAQ
H:
[10-229]
---
R
F
T
D
R
V
V
L
I
T
G
G
G
S
G
L
G
R
A
T
A
V
R
L
--
A
A
E
G
A
-
K
L
S
L
-
V
D
V
S
S
E
G
L
E
A
S
K
A
A
V
-
L
E
T
A
P
D
A
E
V
L
T
T
V
A
D
V
S
D
E
A
Q
V
E
A
Y
V
T
A
T
T
E
R
F
G
R
I
D
G
F
F
N
N
A
G
I
E
G
K
Q
---
N
-
P
T
E
S
F
-------
T
A
A
E
F
D
K
V
V
S
I
N
L
R
G
V
F
---
L
G
L
E
K
V
L
-
K
I
M
R
E
Q
G
--
S
G
M
V
V
N
T
A
S
V
G
G
I
R
G
I
--
G
N
Q
S
G
-
Y
A
A
A
K
H
G
V
V
G
L
T
R
N
S
A
V
E
Y
--
G
R
Y
G
I
R
I
N
A
I
A
P
G
A
I
W
T
P
M
V
E
N
S
---
M
K
Q
L
D
P
E
N
P
R
K
A
A
E
E
F
I
Q
V
N
P
S
K
---------------------------
33
PsiBlast_CBE
77.41
31%
-89
- C1 -
1IY8
2
LVR_LEIAQ
B:
[10-229]
---
R
F
T
D
R
V
V
L
I
T
G
G
G
S
G
L
G
R
A
T
A
V
R
L
--
A
A
E
G
A
-
K
L
S
L
-
V
D
V
S
S
E
G
L
E
A
S
K
A
A
V
-
L
E
T
A
P
D
A
E
V
L
T
T
V
A
D
V
S
D
E
A
Q
V
E
A
Y
V
T
A
T
T
E
R
F
G
R
I
D
G
F
F
N
N
A
G
I
E
G
K
Q
---
N
-
P
T
E
S
F
-------
T
A
A
E
F
D
K
V
V
S
I
N
L
R
G
V
F
---
L
G
L
E
K
V
L
-
K
I
M
R
E
Q
G
--
S
G
M
V
V
N
T
A
S
V
G
G
I
R
G
I
--
G
N
Q
S
G
-
Y
A
A
A
K
H
G
V
V
G
L
T
R
N
S
A
V
E
Y
--
G
R
Y
G
I
R
I
N
A
I
A
P
G
A
I
W
T
P
M
V
E
N
S
---
M
K
Q
L
D
P
E
N
P
R
K
A
A
E
E
F
I
Q
V
N
P
S
K
---------------------------
21
PsiBlast_CBE
75.83
33%
-96
- C1 -
3RKU
1
YM71_YEAST
D:
[33-226]
------
K
K
T
V
L
I
T
G
A
S
A
G
I
G
K
A
T
A
L
E
Y
LE
A
S
N
G
D
M
K
L
I
L
-
A
A
R
R
L
E
K
L
E
E
L
K
K
T
I
-
D
Q
E
F
P
N
A
K
V
H
V
A
Q
L
D
I
T
Q
A
E
K
I
K
P
F
I
E
N
L
P
Q
E
F
K
D
I
D
I
L
V
N
N
A
G
K
-
A
L
G
---
S
D
R
V
G
Q
I
-------
A
T
E
D
I
Q
D
V
F
D
T
N
V
T
A
L
I
---
N
I
T
Q
A
V
L
-
P
I
F
Q
A
K
N
--
S
G
D
I
V
N
L
G
S
I
A
G
R
D
A
Y
P
--
T
G
S
I
-
Y
C
A
S
K
F
A
V
G
A
F
T
D
S
L
R
K
E
L
--
I
N
T
K
I
R
V
I
L
I
A
P
G
L
V
E
T
E
F
S
--------------------------------------------------------
1
PsiBlast_PDB
75.71
33%
-94
- C1 -
3RKU
1
YM71_YEAST
A:
[33-226]
------
K
K
T
V
L
I
T
G
A
S
A
G
I
G
K
A
T
A
L
E
Y
L
E
A
S
N
G
D
M
K
L
I
L
-
A
A
R
R
L
E
K
L
E
E
L
K
K
T
I
-
D
Q
E
F
P
N
A
K
V
H
V
A
Q
L
D
I
T
Q
A
E
K
I
K
P
F
I
E
N
L
P
Q
E
F
K
D
I
D
I
L
V
N
N
A
G
K
-
A
L
G
---
S
D
R
V
G
Q
I
-------
A
T
E
D
I
Q
D
V
F
D
T
N
V
T
A
L
I
---
N
I
T
Q
A
V
L
-
P
I
F
Q
A
K
N
--
S
G
D
I
V
N
L
G
S
I
A
G
R
D
A
Y
P
--
T
G
S
I
-
Y
C
A
S
K
F
A
V
G
A
F
T
D
S
L
R
K
E
L
--
I
N
T
K
I
R
V
I
L
I
A
P
G
L
V
E
T
E
F
S
--------------------------------------------------------
23
PsiBlast_CBE
75.30
33%
-95
- C1 -
3RKU
1
YM71_YEAST
B:
[33-226]
------
K
K
T
V
L
I
T
G
A
S
A
G
I
G
K
A
T
A
L
E
Y
LE
A
S
N
G
D
M
K
L
I
L
-
A
A
R
R
L
E
K
L
E
E
L
K
K
T
I
-
D
Q
E
F
P
N
A
K
V
H
V
A
Q
L
D
I
T
Q
A
E
K
I
K
P
F
I
E
N
L
P
Q
E
F
K
D
I
D
I
L
V
N
N
A
G
K
-
A
L
G
---
S
D
R
V
G
Q
I
-------
A
T
E
D
I
Q
D
V
F
D
T
N
V
T
A
L
I
---
N
I
T
Q
A
V
L
-
P
I
F
Q
A
K
N
--
S
G
D
I
V
N
L
G
S
I
A
G
R
D
A
Y
P
--
T
G
S
I
-
Y
C
A
S
K
F
A
V
G
A
F
T
D
S
L
R
K
E
L
--
I
N
T
K
I
R
V
I
L
I
A
P
G
L
V
E
T
E
F
S
--------------------------------------------------------
22
PsiBlast_CBE
73.07
33%
-94
- C1 -
3RKU
1
YM71_YEAST
C:
[33-226]
------
K
K
T
V
L
I
T
G
A
S
A
G
I
G
K
A
T
A
L
E
Y
LE
A
S
N
G
D
M
K
L
I
L
-
A
A
R
R
L
E
K
L
E
E
L
K
K
T
I
-
D
Q
E
F
P
N
A
K
V
H
V
A
Q
L
D
I
T
Q
A
E
K
I
K
P
F
I
E
N
L
P
Q
E
F
K
D
I
D
I
L
V
N
N
A
G
K
-
A
L
G
---
S
D
R
V
G
Q
I
-------
A
T
E
D
I
Q
D
V
F
D
T
N
V
T
A
L
I
---
N
I
T
Q
A
V
L
-
P
I
F
Q
A
K
N
--
S
G
D
I
V
N
L
G
S
I
A
G
R
D
A
Y
P
--
T
G
S
I
-
Y
C
A
S
K
F
A
V
G
A
F
T
D
S
L
R
K
E
L
--
I
N
T
K
I
R
V
I
L
I
A
P
G
L
V
E
T
E
F
S
--------------------------------------------------------
25
PsiBlast_CBE
71.56
33%
-89
- C1 -
1XG5
2
DHR11_HUMAN
C:
[36-229]
----------
L
V
T
G
A
S
G
G
I
G
A
A
V
A
R
A
L
--
V
Q
Q
G
L
-
K
V
V
G
-
C
A
R
T
V
G
N
I
E
E
L
A
A
E
C
K
S
A
G
Y
P
G
T
L
I
P
Y
-
R
C
D
L
S
N
E
E
D
I
L
S
M
F
S
A
I
R
S
Q
H
S
G
V
D
I
C
I
N
N
A
G
L
-
A
R
P
---
D
-
T
L
L
S
G
-------
S
T
S
G
W
K
D
M
F
N
V
N
V
L
A
L
S
---
I
C
T
R
E
A
Y
-
Q
S
M
K
E
R
N
VD
D
G
H
I
I
N
I
N
S
M
S
G
H
R
V
L
P
L
S
V
T
H
F
-
Y
S
A
T
K
Y
A
V
T
A
L
T
E
G
L
R
Q
E
L
RE
A
Q
T
H
I
R
A
T
C
I
S
P
G
V
V
E
T
Q
F
A
F
K
------------------------------------------------------
3
PsiBlast_PDB
69.89
33%
-89
- C1 -
1XG5
2
DHR11_HUMAN
A:
[36-232]
----------
L
V
T
G
A
S
G
G
I
G
A
A
V
A
R
A
L
--
V
Q
Q
G
L
-
K
V
V
G
-
C
A
R
T
V
G
N
I
E
E
L
A
A
E
C
K
S
A
G
Y
P
G
T
L
I
P
Y
-
R
C
D
L
S
N
E
E
D
I
L
S
M
F
S
A
I
R
S
Q
H
S
G
V
D
I
C
I
N
N
A
G
L
-
A
R
P
---
D
-
T
L
L
S
G
-------
S
T
S
G
W
K
D
M
F
N
V
N
V
L
A
L
S
---
I
C
T
R
E
A
Y
-
Q
S
M
K
E
R
N
VD
D
G
H
I
I
N
I
N
S
M
S
G
H
R
V
L
P
L
S
V
T
H
F
-
Y
S
A
T
K
Y
A
V
T
A
L
T
E
G
L
R
Q
E
L
R
E
A
Q
T
H
I
R
A
T
C
I
S
P
G
V
V
E
T
Q
F
A
F
K
------------------------------------------------------
5
PsiBlast_PDB
69.32
32%
-97
- C1 -
3ASU
-
?
A:
[3-202]
---------
V
L
V
T
G
A
T
A
G
F
G
E
C
I
T
R
R
F
--
I
Q
Q
G
H
-
K
V
I
A
-
T
G
R
R
Q
E
R
L
Q
E
L
K
D
E
L
-
G
D
-----
N
L
Y
I
A
Q
L
D
V
R
N
R
A
A
I
E
E
M
L
A
S
L
P
A
E
W
C
N
I
D
I
L
V
N
N
A
G
L
-
A
L
G
MEP
A
-
H
K
A
S
V
-------
E
D
W
--
E
T
M
I
D
T
N
N
K
G
L
V
---
Y
M
T
R
A
V
L
-
P
G
M
V
E
R
N
--
H
G
H
I
I
N
I
G
S
T
A
G
S
W
P
Y
A
-
G
-
G
N
V
-
Y
G
A
T
K
A
F
V
R
Q
F
S
L
N
L
R
T
D
L
--
H
G
T
A
V
R
V
T
D
I
E
P
G
L
V
-------------------------------------------------------------
26
PsiBlast_CBE
68.81
33%
-87
- C1 -
1XG5
1
DHR11_HUMAN
B:
[36-242]
----------
L
V
T
G
A
S
G
G
I
G
A
A
V
A
R
A
L
--
V
Q
Q
G
L
-
K
V
V
G
-
C
A
R
T
V
G
N
I
E
E
L
A
A
E
C
K
S
A
G
Y
P
G
T
L
I
P
Y
-
R
C
D
L
S
N
E
E
D
I
L
S
M
F
S
A
I
R
S
Q
H
S
G
V
D
I
C
I
N
N
A
G
L
-
A
R
P
---
D
-
T
L
L
S
G
-------
S
T
S
G
W
K
D
M
F
N
V
N
V
L
A
L
S
---
I
C
T
R
E
A
Y
-
Q
S
M
K
E
R
N
VD
D
G
H
I
I
N
I
N
S
M
S
G
H
R
V
L
P
L
S
V
T
H
F
-
Y
S
A
T
K
Y
A
V
T
A
L
T
E
G
L
R
Q
E
L
RE
A
Q
T
H
I
R
A
T
C
I
S
P
G
V
V
E
T
Q
F
A
F
K
------------------------------------------------------
72
PsiBlast_CBE
66.77
33%
-101
- C1 -
3RI3
3
ACT3_STRCO
B:
[30-225]
----------
L
V
T
G
A
T
S
G
I
G
L
E
I
A
R
R
L
--
G
K
E
G
L
-
R
V
F
V
-
C
A
R
G
E
E
G
L
R
T
T
L
K
E
L
---
R
E
A
G
V
E
A
D
G
R
T
C
D
V
R
S
V
P
E
I
E
A
L
V
A
A
V
V
E
R
Y
G
P
V
D
V
L
V
N
N
A
G
----------
R
L
G
G
G
ATAELA
D
E
L
W
L
D
--
V
V
E
T
N
L
T
G
V
F
R
V
T
K
Q
V
L
K
A
G
-
G
M
L
-
E
R
G
--
T
G
R
I
V
N
I
A
S
T
G
G
K
Q
G
V
---
V
H
A
A
P
Y
S
A
S
K
H
G
V
V
G
F
T
K
A
L
G
L
E
L
--
A
R
T
G
I
T
V
N
A
V
C
P
G
F
V
E
T
P
M
A
A
S
------------------------------------------------------
79
PsiBlast_CBE
62.59
33%
-96
- C1 -
2RHR
3
ACT3_STRCO
A:
[26-213]
----------
L
V
T
G
A
T
S
G
I
G
L
E
I
A
R
R
L
--
G
K
E
G
L
-
R
V
F
V
-
C
A
R
G
E
E
G
L
R
T
T
L
K
E
L
---
R
E
A
G
V
E
A
D
G
R
T
C
D
V
R
S
V
P
E
I
E
A
L
V
A
A
V
V
E
R
Y
G
P
V
D
V
L
V
N
N
A
G
----------
R
L
G
G
G
ATAELA
D
E
L
W
L
D
--
V
V
E
T
N
L
T
G
V
F
R
V
T
K
Q
V
L
K
A
G
-
G
M
L
-
E
R
G
--
T
G
R
I
V
N
I
A
S
T
G
G
K
Q
G
V
---
V
H
A
A
P
Y
S
A
S
K
H
G
V
V
G
F
T
K
A
L
G
L
E
L
--
A
R
T
G
I
T
V
N
A
V
C
P
G
F
V
E
T
P
M
A
A
S
------------------------------------------------------
76
PsiBlast_CBE
62.55
33%
-99
- C1 -
3CSD
3
ACT3_STRCO
B:
[30-225]
----------
L
V
T
G
A
T
S
G
I
G
L
E
I
A
R
R
L
--
G
K
E
G
L
-
R
V
F
V
-
C
A
R
G
E
E
G
L
R
T
T
L
K
E
L
---
R
E
A
G
V
E
A
D
G
R
T
C
D
V
R
S
V
P
E
I
E
A
L
V
A
A
V
V
E
R
Y
G
P
V
D
V
L
V
N
N
A
G
----------
R
L
G
G
G
ATAELA
D
E
L
W
L
D
--
V
V
E
T
N
L
T
G
V
F
R
V
T
K
Q
V
L
K
A
G
-
G
M
L
-
E
R
G
--
T
G
R
I
V
N
I
A
S
T
G
G
K
Q
G
V
---
V
H
A
A
P
Y
S
A
S
K
H
G
V
V
G
F
T
K
A
L
G
L
E
L
--
A
R
T
G
I
T
V
N
A
V
C
P
G
F
V
E
T
P
M
A
A
S
------------------------------------------------------
77
PsiBlast_CBE
61.04
33%
-95
- C1 -
3CSD
3
ACT3_STRCO
A:
[30-217]
----------
L
V
T
G
A
T
S
G
I
G
L
E
I
A
R
R
L
--
G
K
E
G
L
-
R
V
F
V
-
C
A
R
G
E
E
G
L
R
T
T
L
K
E
L
---
R
E
A
G
V
E
A
D
G
R
T
C
D
V
R
S
V
P
E
I
E
A
L
V
A
A
V
V
E
R
Y
G
P
V
D
V
L
V
N
N
A
G
----------
R
L
G
G
G
ATAELA
D
E
L
W
L
D
--
V
V
E
T
N
L
T
G
V
F
R
V
T
K
Q
V
L
K
A
G
-
G
M
L
-
E
R
G
--
T
G
R
I
V
N
I
A
S
T
G
G
K
Q
G
V
---
V
H
A
A
P
Y
S
A
S
K
H
G
V
V
G
F
T
K
A
L
G
L
E
L
--
A
R
T
G
I
T
V
N
A
V
C
P
G
F
V
E
T
P
M
A
A
S
------------------------------------------------------
73
PsiBlast_CBE
60.78
33%
-95
- C1 -
3RI3
3
ACT3_STRCO
A:
[30-217]
----------
L
V
T
G
A
T
S
G
I
G
L
E
I
A
R
R
L
--
G
K
E
G
L
-
R
V
F
V
-
C
A
R
G
E
E
G
L
R
T
T
L
K
E
L
---
R
E
A
G
V
E
A
D
G
R
T
C
D
V
R
S
V
P
E
I
E
A
L
V
A
A
V
V
E
R
Y
G
P
V
D
V
L
V
N
N
A
G
----------
R
L
G
G
G
ATAELA
D
E
L
W
L
D
--
V
V
E
T
N
L
T
G
V
F
R
V
T
K
Q
V
L
K
A
G
-
G
M
L
-
E
R
G
--
T
G
R
I
V
N
I
A
S
T
G
G
K
Q
G
V
---
V
H
A
A
P
Y
S
A
S
K
H
G
V
V
G
F
T
K
A
L
G
L
E
L
--
A
R
T
G
I
T
V
N
A
V
C
P
G
F
V
E
T
P
M
A
A
S
------------------------------------------------------
9
PsiBlast_PDB
58.72
30%
-84
- C1 -
2PNF
3
FABG_AQUAE
A:
[11-196]
----------
L
V
T
G
S
T
R
G
I
G
R
A
I
A
E
K
L
--
A
S
A
G
S
-
T
V
I
I
-
T
G
T
S
G
E
R
A
K
A
V
A
E
E
I
-
A
N
K
Y
-
G
V
K
A
H
G
V
E
M
N
L
L
S
E
E
S
I
N
K
A
F
E
E
I
Y
N
L
V
D
G
I
D
I
L
V
N
N
A
G
I
-
T
R
D
---
K
-
L
F
L
R
M
-------
S
L
L
D
W
E
E
V
L
K
V
N
L
T
G
T
F
---
L
V
T
Q
N
S
L
R
K
M
I
K
Q
R
W
---
G
R
I
V
N
I
S
S
V
V
G
F
T
G
N
V
-
G
-
Q
V
N
-
Y
S
T
T
K
A
G
L
I
G
F
T
K
S
L
A
K
E
L
--
A
P
R
N
V
L
V
N
A
V
A
P
G
F
I
E
T
D
M
T
A
-------------------------------------------------------
75
PsiBlast_CBE
58.48
33%
-93
- C1 -
3QRW
2
ACT3_STRCO
A:
[30-217]
----------
L
V
T
G
A
T
S
G
I
G
L
E
I
A
R
R
L
--
G
K
E
G
L
-
R
V
F
V
-
C
A
R
G
E
E
G
L
R
T
T
L
K
E
L
---
R
E
A
G
V
E
A
D
G
R
T
C
D
V
R
S
V
P
E
I
E
A
L
V
A
A
V
V
E
R
Y
G
P
V
D
V
L
V
N
N
A
G
----------
R
L
G
G
G
ATAELA
D
E
L
W
L
D
--
V
V
E
T
N
L
T
G
V
F
R
V
T
K
Q
V
L
K
A
G
-
G
M
L
-
E
R
G
--
T
G
R
I
V
N
I
A
S
T
G
G
K
Q
G
V
---
V
H
A
A
P
Y
S
A
S
K
H
G
V
V
G
F
T
K
A
L
G
L
E
L
--
A
R
T
G
I
T
V
N
A
V
C
P
G
F
V
E
T
P
M
A
A
S
------------------------------------------------------
50
PsiBlast_CBE
58.28
32%
-87
- C1 -
1Q7B
2
FABG_ECOLI
C:
[9-189]
----------
L
V
T
G
A
S
R
G
I
G
R
A
I
A
E
T
L
--
A
A
R
G
A
-
K
V
I
G
-
T
A
-----
T
S
E
N
G
A
Q
A
-
I
S
D
Y
L
G
A
N
G
K
G
L
M
L
N
V
T
D
P
A
S
I
E
S
V
L
E
K
I
R
A
E
F
G
E
V
D
I
L
V
N
N
A
G
I
-
T
R
D
---
N
-
L
L
M
R
M
-------
K
D
E
E
W
N
D
I
I
E
T
N
L
S
S
V
F
---
R
L
S
K
A
V
M
-
R
A
M
M
K
K
R
--
H
G
R
I
I
T
I
G
S
V
V
G
T
M
G
N
G
-
G
-
Q
A
N
-
Y
A
A
A
K
A
G
L
I
G
F
S
K
S
L
A
R
E
V
--
A
S
R
G
I
T
V
N
V
V
A
P
G
F
I
E
T
D
M
T
--------------------------------------------------------
43
PsiBlast_CBE
57.72
31%
-93
- C1 -
4WK6
1
?
B:
[16-196]
----------
L
V
T
G
A
S
R
G
I
G
K
A
I
A
E
L
L
--
A
E
R
G
A
-
K
V
I
G
-
T
A
T
-----
S
E
S
G
A
Q
A
-
I
S
D
Y
L
G
D
N
G
K
G
M
A
L
N
V
T
N
P
E
S
I
E
A
V
L
K
A
I
T
D
E
F
G
G
V
D
I
L
V
N
N
A
G
I
-
T
R
D
---
N
-
L
L
M
R
M
-------
K
E
E
E
W
S
D
I
M
E
T
N
L
T
S
I
F
---
R
L
S
K
A
V
L
-
R
G
M
M
K
K
R
--
Q
G
R
I
I
N
V
A
S
V
V
G
T
M
------
Q
A
N
-
Y
A
A
A
K
A
G
V
I
G
F
T
K
S
M
A
R
E
V
--
A
S
R
G
V
T
V
N
T
V
A
P
G
F
I
E
T
D
M
T
--------------------------------------------------------
47
PsiBlast_CBE
57.41
31%
-82
- C1 -
3RRO
13
FABG_VIBCH
B:
[16-196]
----------
L
V
T
G
A
S
R
G
I
G
K
A
I
A
E
L
L
--
A
E
R
G
A
-
K
V
I
G
-
T
A
T
-----
S
E
S
G
A
Q
A
-
I
S
D
Y
L
G
D
N
G
K
G
M
A
L
N
V
T
N
P
E
S
I
E
A
V
L
K
A
I
T
D
E
F
G
G
V
D
I
L
V
N
N
A
G
I
-
T
R
D
---
N
-
L
L
M
R
M
-------
K
E
E
E
W
S
D
I
M
E
T
N
L
T
S
I
F
---
R
L
S
K
A
V
L
-
R
G
M
M
K
K
R
--
Q
G
R
I
I
N
V
G
S
V
V
G
T
M
G
N
A
-
G
-
Q
A
N
-
Y
A
A
A
K
A
G
V
I
G
F
T
K
S
M
A
R
E
V
--
A
S
R
G
V
T
V
N
T
V
A
P
G
F
I
E
T
D
M
T
--------------------------------------------------------
48
PsiBlast_CBE
57.06
31%
-83
- C1 -
3RRO
11
FABG_VIBCH
A:
[16-196]
----------
L
V
T
G
A
S
R
G
I
G
K
A
I
A
E
L
L
--
A
E
R
G
A
-
K
V
I
G
-
T
A
T
-----
S
E
S
G
A
Q
A
-
I
S
D
Y
L
G
D
N
G
K
G
M
A
L
N
V
T
N
P
E
S
I
E
A
V
L
K
A
I
T
D
E
F
G
G
V
D
I
L
V
N
N
A
G
I
-
T
R
D
---
N
-
L
L
M
R
M
-------
K
E
E
E
W
S
D
I
M
E
T
N
L
T
S
I
F
---
R
L
S
K
A
V
L
-
R
G
M
M
K
K
R
--
Q
G
R
I
I
N
V
G
S
V
V
G
T
M
G
N
A
-
G
-
Q
A
N
-
Y
A
A
A
K
A
G
V
I
G
F
T
K
S
M
A
R
E
V
--
A
S
R
G
V
T
V
N
T
V
A
P
G
F
I
E
T
D
M
T
--------------------------------------------------------
49
PsiBlast_CBE
56.76
32%
-83
- C1 -
1Q7B
2
FABG_ECOLI
D:
[9-189]
----------
L
V
T
G
A
S
R
G
I
G
R
A
I
A
E
T
L
--
A
A
R
G
A
-
K
V
I
G
-
T
A
-----
T
S
E
N
G
A
Q
A
-
I
S
D
Y
L
G
A
N
G
K
G
L
M
L
N
V
T
D
P
A
S
I
E
S
V
L
E
K
I
R
A
E
F
G
E
V
D
I
L
V
N
N
A
G
I
-
T
R
D
---
N
-
L
L
M
R
M
-------
K
D
E
E
W
N
D
I
I
E
T
N
L
S
S
V
F
---
R
L
S
K
A
V
M
-
R
A
M
M
K
K
R
--
H
G
R
I
I
T
I
G
S
V
V
G
T
M
G
N
G
-
G
-
Q
A
N
-
Y
A
A
A
K
A
G
L
I
G
F
S
K
S
L
A
R
E
V
--
A
S
R
G
I
T
V
N
V
V
A
P
G
F
I
E
T
D
M
T
--------------------------------------------------------
17
PsiBlast_PDB
56.04
33%
-68
- C1 -
3SJ7
3
?
A:
[10-202]
------
T
K
S
A
L
V
T
G
A
S
R
G
I
G
R
S
I
A
L
Q
L
--
A
E
E
G
Y
-
N
V
A
V
N
Y
A
G
S
K
E
K
A
E
A
V
V
E
E
I
-
K
A
K
G
V
D
-
S
F
A
I
-
Q
A
N
V
A
D
A
D
E
V
K
A
M
I
K
E
V
V
S
Q
F
G
S
L
D
V
L
V
N
N
A
G
I
-
T
R
D
---
N
-
L
L
M
R
M
-------
K
E
Q
E
W
D
D
V
I
D
T
N
L
K
G
V
F
---
N
C
I
Q
K
A
T
P
Q
M
L
R
Q
R
---
S
G
A
I
I
N
L
S
S
V
V
G
A
V
G
N
P
-
G
-
Q
A
N
-
Y
V
A
T
K
A
G
V
I
G
L
T
K
S
A
A
R
E
L
--
A
S
R
G
I
T
V
N
A
V
A
P
G
F
I
V
S
D
M
T
--------------------------------------------------------