@TOME V2.3
(Nov 2016)
Ref.
-
-
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 : Rv3914: (2016-05-24 )
MTDSEKSATIKVTDASFATDVLSSNKPVLVDFWATWCGPCKMVAPVLEEIATERATDLTVAKLDVDTNPETARNFQVVSIPTLILFKDGQPVKRIVGAKGKAALLRELSDVVPNLN
Atome Classification :
(44 SA)
.......-..10-........20........30........40........50......--..60......-..70......-..80........90........100.......110....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MTDSE
K
S
-
A
T
I
K
-
V
TD
A
S
F
A
T
D
V
LSSNK
P
V
L
V
D
F
W
A
TWCG
P
C
K
M
V
A
P
V
L
E
E
I
A
T
ERATD--
L
T
V
A
K
L
DVDT-NPETAR
N
F
Q
V
-
V
SI
P
T
L
I
L
FKDGQ
P
V
K
R
I
VGAK
G
K
A
A
L
L
R
E
L
S
D
VVPNLN
2
PsiBlast_PDB
91.36
100%
-123
- C1 -
2L59
-
THIO_MYCTU
A:
[1-116]
M
T
D
S
E
K
S
-
A
T
I
K
-
V
T
D
A
S
F
A
T
D
V
L
S
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
C
K
M
V
A
P
V
L
E
E
I
A
T
E
R
A
T
D
--
L
T
V
A
K
L
D
V
D
T
-
N
P
E
T
A
R
N
F
Q
V
-
V
S
I
P
T
L
I
L
F
K
D
G
Q
P
V
K
R
I
V
G
A
K
G
K
A
A
L
L
R
E
L
S
D
V
V
P
N
L
N
3
PsiBlast_PDB
89.96
100%
-139
- C1 -
2I1U
-
THIO_MYCTU
A:
[7-114]
------
S
-
A
T
I
K
-
V
T
D
A
S
F
A
T
D
V
L
S
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
C
K
M
V
A
P
V
L
E
E
I
A
T
E
R
A
T
D
--
L
T
V
A
K
L
D
V
D
T
-
N
P
E
T
A
R
N
F
Q
V
-
V
S
I
P
T
L
I
L
F
K
D
G
Q
P
V
K
R
I
V
G
A
K
G
K
A
A
L
L
R
E
L
S
D
V
V
P
N
--
1
PsiBlast_PDB
89.94
100%
-122
- C1 -
2L4Q
-
THIO_MYCTU
A:
[1-116]
M
T
D
S
E
K
S
-
A
T
I
K
-
V
T
D
A
S
F
A
T
D
V
L
S
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
C
K
M
V
A
P
V
L
E
E
I
A
T
E
R
A
T
D
--
L
T
V
A
K
L
D
V
D
T
-
N
P
E
T
A
R
N
F
Q
V
-
V
S
I
P
T
L
I
L
F
K
D
G
Q
P
V
K
R
I
V
G
A
K
G
K
A
A
L
L
R
E
L
S
D
V
V
P
N
L
N
4
PsiBlast_PDB
88.79
99%
-143
- C1 -
3NOF
2
?
A:
[9-114]
------
S
-
A
T
I
K
-
V
T
D
A
S
F
A
T
D
V
L
S
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
S
K
M
V
A
P
V
L
E
E
I
A
T
E
R
A
T
D
--
L
T
V
A
K
L
D
V
D
T
-
N
P
E
T
A
R
N
F
Q
V
-
V
S
I
P
T
L
I
L
F
K
D
G
Q
P
V
K
R
I
V
G
A
K
G
K
A
A
L
L
R
E
L
S
D
V
V
----
22
PsiBlast_CBE
88.16
99%
-141
- C1 -
3O6T
2
THIO_MYCTU
C:
[9-116]
------
S
-
A
T
I
K
-
V
T
D
A
S
F
A
T
D
V
L
S
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
S
K
M
V
A
P
V
L
E
E
I
A
T
E
R
A
T
D
--
L
T
V
A
K
L
D
V
D
T
-
N
P
E
T
A
R
N
F
Q
V
-
V
S
I
P
T
L
I
L
F
K
D
G
Q
P
V
K
R
I
V
G
A
K
G
K
A
A
L
L
R
E
L
S
D
V
V
P
N
--
24
PsiBlast_CBE
88.05
99%
-140
- C1 -
3NOF
3
?
B:
[8-114]
-----
K
S
-
A
T
I
K
-
V
T
D
A
S
F
A
T
D
V
L
S
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
S
K
M
V
A
P
V
L
E
E
I
A
T
E
R
A
T
D
--
L
T
V
A
K
L
D
V
D
T
-
N
P
E
T
A
R
N
F
Q
V
-
V
S
I
P
T
L
I
L
F
K
D
G
Q
P
V
K
R
I
V
G
A
K
G
K
A
A
L
L
R
E
L
S
D
V
V
----
23
PsiBlast_CBE
87.92
99%
-134
- C1 -
3O6T
2
THIO_MYCTU
B:
[9-118]
------
S
-
A
T
I
K
-
V
T
D
A
S
F
A
T
D
V
L
S
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
S
K
M
V
A
P
V
L
E
E
I
A
T
E
R
A
T
D
--
L
T
V
A
K
L
D
V
D
T
-
N
P
E
T
A
R
N
F
Q
V
-
V
S
I
P
T
L
I
L
F
K
D
G
Q
P
V
K
R
I
V
G
A
K
G
K
A
A
L
L
R
E
L
S
D
V
V
P
N
L
N
5
PsiBlast_PDB
87.74
99%
-140
- C1 -
3O6T
2
THIO_MYCTU
A:
[9-116]
------
S
-
A
T
I
K
-
V
T
D
A
S
F
A
T
D
V
L
S
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
S
K
M
V
A
P
V
L
E
E
I
A
T
E
R
A
T
D
--
L
T
V
A
K
L
D
V
D
T
-
N
P
E
T
A
R
N
F
Q
V
-
V
S
I
P
T
L
I
L
F
K
D
G
Q
P
V
K
R
I
V
G
A
K
G
K
A
A
L
L
R
E
L
S
D
V
V
P
N
--
6
PsiBlast_PDB
87.15
87%
-140
- C1 -
4WXT
-
?
A:
[8-115]
-------I
A
T
I
E
-
V
S
D
A
S
F
S
T
D
V
L
A
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
C
K
M
V
A
P
V
L
E
E
I
A
S
E
R
G
D
H
--
L
T
V
A
K
L
D
V
D
A
-
N
P
E
T
A
Q
N
F
Q
V
-
V
S
I
P
T
L
I
L
F
K
D
G
Q
P
V
K
R
I
V
G
A
K
G
K
A
A
L
L
R
E
L
S
D
A
V
P
N
--
131
HHSearch
86.76
87%
-137
- C1 -
4WXT
-
?
A:
[8-115]
------
I
-
A
T
I
E
-
V
S
D
A
S
F
S
T
D
V
L
A
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
C
K
M
V
A
P
V
L
E
E
I
A
S
E
R
G
D
H
--
L
T
V
A
K
L
D
V
D
A
-
N
P
E
T
A
Q
N
F
Q
V
-
V
S
I
P
T
L
I
L
F
K
D
G
Q
P
V
K
R
I
V
G
A
K
G
K
A
A
L
L
R
E
L
S
D
A
V
P
N
--
21
PsiBlast_CBE
86.74
99%
-143
- C1 -
3O6T
2
THIO_MYCTU
D:
[9-117]
------
S
-
A
T
I
K
-
V
T
D
A
S
F
A
T
D
V
L
S
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
S
K
M
V
A
P
V
L
E
E
I
A
T
E
R
A
T
D
--
L
T
V
A
K
L
D
V
D
T
-
N
P
E
T
A
R
N
F
Q
V
-
V
S
I
P
T
L
I
L
F
K
D
G
Q
P
V
K
R
I
V
G
A
K
G
K
A
A
L
L
R
E
L
S
D
V
V
P
N
L
-
7
PsiBlast_PDB
83.80
75%
-139
- C1 -
4POB
2
?
A:
[12-117]
------
H
-
A
T
V
T
-
V
T
D
D
S
F
Q
E
D
V
V
S
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
C
K
M
V
A
P
V
L
E
E
I
A
K
D
H
G
E
A
--
L
T
I
A
K
L
D
V
D
A
-
N
P
E
T
A
R
A
F
Q
V
-
T
S
I
P
T
L
I
L
F
Q
N
G
E
A
T
K
R
I
V
G
A
K
S
K
S
A
L
L
R
E
L
D
G
V
V
----
136
HHSearch
81.83
75%
-136
- C1 -
4POB
2
?
A:
[12-116]
------
H
-
A
T
V
T
-
V
T
D
D
S
F
Q
E
D
V
V
S
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
C
K
M
V
A
P
V
L
E
E
I
A
K
D
H
G
E
A
--
L
T
I
A
K
L
D
V
D
A
-
N
P
E
T
A
R
A
F
Q
V
-
T
S
I
P
T
L
I
L
F
Q
N
G
E
A
T
K
R
I
V
G
A
K
S
K
S
A
L
L
R
E
L
D
G
V
-----
25
PsiBlast_CBE
81.68
75%
-135
- C1 -
4POB
2
?
B:
[13-117]
--------
A
T
V
T
-
V
T
D
D
S
F
Q
E
D
V
V
S
S
N
K
P
V
L
V
D
F
W
A
T
W
C
G
P
C
K
M
V
A
P
V
L
E
E
I
A
K
D
H
G
E
A
--
L
T
I
A
K
L
D
V
D
A
-
N
P
E
T
A
R
A
F
Q
V
-
T
S
I
P
T
L
I
L
F
Q
N
G
E
A
T
K
R
I
V
G
A
K
S
K
S
A
L
L
R
E
L
D
G
V
V
----
26
PsiBlast_CBE
77.81
57%
-140
- C1 -
1NW2
5
THIO_ALIAC
H:
[1-104]
--------
A
T
M
T
-
L
T
D
A
N
F
-
Q
Q
A
I
Q
G
D
K
P
V
L
V
D
F
W
A
A
W
C
G
P
C
R
M
M
A
P
V
L
E
E
F
A
E
A
H
A
D
K
--
V
T
V
A
K
L
N
V
D
E
-
N
P
E
T
T
S
Q
F
G
I
-
M
S
I
P
T
L
I
L
F
K
G
G
E
P
V
K
Q
L
I
G
Y
Q
P
K
E
Q
L
E
A
Q
L
A
D
V
L
----
28
PsiBlast_CBE
76.94
57%
-139
- C1 -
1NW2
2
THIO_ALIAC
F:
[1-104]
--------
A
T
M
T
-
L
T
D
A
N
F
-
Q
Q
A
I
Q
G
D
K
P
V
L
V
D
F
W
A
A
W
C
G
P
C
R
M
M
A
P
V
L
E
E
F
A
E
A
H
A
D
K
--
V
T
V
A
K
L
N
V
D
E
-
N
P
E
T
T
S
Q
F
G
I
-
M
S
I
P
T
L
I
L
F
K
G
G
E
P
V
K
Q
L
I
G
Y
Q
P
K
E
Q
L
E
A
Q
L
A
D
V
L
----
12
PsiBlast_PDB
76.92
52%
-135
- C1 -
1T00
-
THIO1_STRCO
A:
[-1-108]
----
H
M
A
-
G
T
L
K
H
V
T
D
D
S
F
E
Q
D
V
L
K
N
D
K
P
V
L
V
D
F
W
A
A
W
C
G
P
C
R
Q
I
A
P
S
L
E
A
I
A
A
E
Y
G
D
K
--
I
E
I
V
K
L
N
I
D
E
-
N
P
G
T
A
A
K
Y
G
V
-
M
S
I
P
T
L
N
V
Y
Q
G
G
E
V
A
K
T
I
V
G
A
K
P
K
A
A
I
V
R
D
L
E
D
F
I
----
29
PsiBlast_CBE
76.58
57%
-130
- C1 -
1NW2
2
THIO_ALIAC
E:
[1-104]
--------
A
T
M
T
-
L
T
D
A
N
F
-
Q
Q
A
I
Q
G
D
K
P
V
L
V
D
F
W
A
A
W
C
G
P
C
R
M
M
A
P
V
L
E
E
F
A
E
A
H
A
D
K
--
V
T
V
A
K
L
N
V
D
E
-
N
P
E
T
T
S
Q
F
G
I
-
M
S
I
P
T
L
I
L
F
K
G
G
E
P
V
K
Q
L
I
G
Y
Q
P
K
E
Q
L
E
A
Q
L
A
D
V
L
----
9
PsiBlast_PDB
76.40
57%
-140
- C1 -
1QUW
-
THIO_ALIAC
A:
[1-104]
--------
A
T
M
T
-
L
T
D
A
N
F
-
Q
Q
A
I
Q
G
D
K
P
V
L
V
D
F
W
A
A
W
C
G
P
C
R
M
M
A
P
V
L
E
E
F
A
E
A
H
A
D
K
--
V
T
V
A
K
L
N
V
D
E
-
N
P
E
T
T
S
Q
F
G
I
-
M
S
I
P
T
L
I
L
F
K
G
G
R
P
V
K
Q
L
I
G
Y
Q
P
K
E
Q
L
E
A
Q
L
A
D
V
L
----
32
PsiBlast_CBE
76.08
57%
-135
- C1 -
1NW2
2
THIO_ALIAC
B:
[1-104]
--------
A
T
M
T
-
L
T
D
A
N
F
-
Q
Q
A
I
Q
G
D
K
P
V
L
V
D
F
W
A
A
W
C
G
P
C
R
M
M
A
P
V
L
E
E
F
A
E
A
H
A
D
K
--
V
T
V
A
K
L
N
V
D
E
-
N
P
E
T
T
S
Q
F
G
I
-
M
S
I
P
T
L
I
L
F
K
G
G
E
P
V
K
Q
L
I
G
Y
Q
P
K
E
Q
L
E
A
Q
L
A
D
V
L
----
122
HHSearch
74.84
50%
-130
- C1 -
2I4A
1
?
A:
[4-106]
---------
T
L
A
-
V
S
D
S
S
F
D
Q
D
V
L
K
A
S
G
L
V
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
G
P
A
L
G
E
I
G
K
E
F
A
G
K
--
V
T
V
A
K
V
N
I
D
D
-
N
P
E
T
P
N
A
Y
Q
V
-
R
S
I
P
T
L
M
L
V
R
D
G
K
V
I
D
K
K
V
G
A
L
P
K
S
Q
L
K
A
W
V
E
S
A
-----
70
PsiBlast_CBE
70.50
53%
-140
- C1 -
2H6Z
1
THIO_ECOLI
B:
[5-104]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
D
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
37
PsiBlast_CBE
70.45
56%
-138
- C1 -
2FCH
2
THIO_ECOLI
E:
[5-99]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
S
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
L
------------
75
PsiBlast_CBE
70.25
54%
-131
- C1 -
2I4A
1
?
A:
[4-99]
---------
T
L
A
-
V
S
D
S
S
F
D
Q
D
V
L
K
A
S
G
L
V
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
G
P
A
L
G
E
I
G
K
E
F
A
G
K
--
V
T
V
A
K
V
N
I
D
D
-
N
P
E
T
P
N
A
Y
Q
V
-
R
S
I
P
T
L
M
L
V
R
D
G
K
V
I
D
K
K
V
G
A
L
P
K
S
Q
L
------------
38
PsiBlast_CBE
69.81
56%
-133
- C1 -
2FCH
3
THIO_ECOLI
D:
[5-99]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
S
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
L
------------
49
PsiBlast_CBE
69.46
54%
-115
- C1 -
2H74
2
THIO_ECOLI
A:
[1-104]
---
S
E
K
---
I
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
36
PsiBlast_CBE
69.07
56%
-140
- C1 -
2FCH
1
THIO_ECOLI
F:
[5-99]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
S
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
L
------------
73
PsiBlast_CBE
68.98
53%
-137
- C1 -
2H70
1
THIO_ECOLI
B:
[5-104]
----------
I
H
-
L
T
E
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
46
PsiBlast_CBE
68.71
54%
-137
- C1 -
2H75
1
THIO_ECOLI
B:
[5-104]
----------
I
H
-
L
T
D
D
S
F
E
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
52
PsiBlast_CBE
68.62
54%
-129
- C1 -
2TRX
4
THIO_ECOLI
B:
[5-104]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
67
PsiBlast_CBE
68.39
54%
-136
- C1 -
2H72
2
THIO_ECOLI
B:
[5-104]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
D
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
53
PsiBlast_CBE
68.32
54%
-125
- C1 -
2TRX
4
THIO_ECOLI
A:
[5-104]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
17
PsiBlast_PDB
68.30
55%
-125
- C1 -
2H73
2
THIO_ECOLI
A:
[5-104]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
E
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
71
PsiBlast_CBE
67.61
53%
-122
- C1 -
2H6Z
2
THIO_ECOLI
A:
[5-104]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
D
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
54
PsiBlast_CBE
67.59
54%
-121
- C1 -
2H6X
2
THIO_ECOLI
A:
[5-104]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
45
PsiBlast_CBE
67.30
54%
-124
- C1 -
2H76
2
THIO_ECOLI
A:
[5-104]
----------
I
H
-
L
T
D
E
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
19
PsiBlast_PDB
66.76
56%
-127
- C1 -
2FCH
2
THIO_ECOLI
A:
[5-99]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
S
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
L
------------
48
PsiBlast_CBE
66.50
54%
-125
- C1 -
2H71
2
THIO_ECOLI
A:
[5-104]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
E
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
74
PsiBlast_CBE
65.68
53%
-124
- C1 -
2H70
2
THIO_ECOLI
A:
[5-104]
----------
I
H
-
L
T
E
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
72
PsiBlast_CBE
65.64
53%
-120
- C1 -
2H6Y
2
THIO_ECOLI
A:
[5-104]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
D
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
51
PsiBlast_CBE
65.29
54%
-126
- C1 -
5E4W
1
?
A:
[4-103]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
66
PsiBlast_CBE
64.43
54%
-113
- C1 -
2EIQ
2
THIO_ECOLI
A:
[5-104]
----------
I
H
-
L
T
D
D
S
F
D
T
D
V
L
K
A
D
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
G
K
--
L
T
V
A
K
L
N
I
D
Q
-
N
P
G
T
A
P
K
Y
G
I
-
R
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
C
K
V
G
A
L
S
K
G
Q
-
L
K
E
F
L
D
------
115
Fugue
58.78
46%
-111
- C1 -
2TRX
5
THIO_ECOLI
A:
[1-108]
---
S
D
K
I
-
I
H
L
--
T
D
D
S
F
D
T
D
V
L
K
A
D
-
G
A
I
L
V
D
F
W
A
E
W
C
G
P
C
K
M
I
A
P
I
L
D
E
I
A
D
E
Y
Q
--GK
L
T
V
A
K
L
N
I
D
-Q
N
P
G
T
A
P
K
Y
G
I
R-
G
I
P
T
L
L
L
F
K
N
G
E
V
A
A
T
K
V
G
A
L
S
K
G
Q
L
K
E
F
L
D
A
N
L
A
---
106
PsiBlast_CBE
46.91
43%
-108
- C1 -
4AJ8
4
?
B:
[18-92]
------------------------
A
G
N
K
L
V
V
I
D
F
Y
A
T
W
C
G
P
C
K
M
I
A
P
-
L
E
E
L
-
S
Q
S
M
S
D
--
V
V
F
L
K
V
D
V
D
E
-
C
E
D
I
A
Q
D
N
Q
I
-
A
C
-
P
T
F
L
F
M
K
N
G
Q
K
L
D
S
L
S
G
A
------------------