@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 : B0VU43: (2017-12-16 )
MAIQEIRHPLIRHKLGLLRRADISTKNFRELAQEVTMLLTYEATKDLPVVDCEIEGWAGNVTTQRIAGKKITIVPILRAGIGMLDGVLNLIPSAKVSVLGLERDEATLEVRTYYKKLVPDVANRIAMIIDPMLATGNSLVAAIDVLKASGCKDIRVMVLVAAPEGIAKVEAAHPDIQLYTASIDNGLNEHGYIVPGLGDAGDKIFGSVQKD
Atome Classification :
(35 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)
(QMean)
(Ligand)
(Uniprot)
M
A
I
Q
E
I
R
H
P
L
I
R
H
K
L
G
L
L
RRADIS
T
K
N
F
R
E
L
A
Q
E
V
T
M
L
L
T
Y
EATKDL
P
V
V
D
C
E
I
E-----GWAGN-V-TTQRIA---G
K
K
I
T
I
V
P
I
L
R
A
G
I
G
M
L
D
G
V
L
N
LIPSA
K
V
S
V
L
G
LERDEA
T
-------
L
E
V
R
T
Y
Y
K
K
L
V
P
D
V
A
N
R
I
--
A
M
I
I
D
P
M
LATG
N
S
L
-
V
A
A
I
D
V
L
KASGC--
K
D
I
R
V
M
V
--
L
V
AAPEG
I
A
K
VEAAHP
D
I
Q
L
Y
T
ASIDNGLNEHGYIVPGLGD
A
G
D
K
I
F
G
SVQKD
77
HHSearch
92.92
65%
-150
- C5 -
-
2EHJ
-
UPP_ECOLI
A:
[2-208]
-
K
I
V
E
V
K
H
P
L
V
K
H
K
L
G
L
M
R
E
Q
D
I
S
T
K
R
F
R
E
L
A
S
E
V
G
S
L
L
T
Y
E
A
T
A
D
L
E
T
E
K
V
T
I
E
-----
G
W
N
G
P
-
V
-
E
I
D
Q
I
K
---
G
K
K
I
T
V
V
P
I
L
R
A
G
L
G
M
M
D
G
V
L
E
N
V
P
S
A
R
I
S
V
V
G
M
Y
R
N
E
E
T
-------
L
E
P
V
P
Y
F
Q
K
L
V
S
N
I
D
E
R
M
--
A
L
I
V
D
P
M
L
A
T
G
G
S
V
-
I
A
T
I
D
L
L
K
K
A
G
C
--
S
S
I
K
V
L
V
--
L
V
A
A
P
E
G
I
A
A
L
E
K
A
H
P
D
V
E
L
Y
T
A
S
I
D
Q
G
L
N
E
H
G
Y
I
I
P
G
L
G
D
A
G
D
K
I
F
G
T
K
---
1
PsiBlast_PDB
92.82
65%
-152
- C5 -
-
2EHJ
-
UPP_ECOLI
A:
[3-207]
--
I
V
E
V
K
H
P
L
V
K
H
K
L
G
L
M
R
E
Q
D
I
S
T
K
R
F
R
E
L
A
S
E
V
G
S
L
L
T
Y
E
A
T
A
D
L
E
T
E
K
V
T
I
E
-----
G
W
N
G
P
-
V
-
E
I
D
Q
I
K
---
G
K
K
I
T
V
V
P
I
L
R
A
G
L
G
M
M
D
G
V
L
E
N
V
P
S
A
R
I
S
V
V
G
M
Y
R
N
E
E
T
-------
L
E
P
V
P
Y
F
Q
K
L
V
S
N
I
D
E
R
M
--
A
L
I
V
D
P
M
L
A
T
G
G
S
V
-
I
A
T
I
D
L
L
K
K
A
G
C
--
S
S
I
K
V
L
V
--
L
V
A
A
P
E
G
I
A
A
L
E
K
A
H
P
D
V
E
L
Y
T
A
S
I
D
Q
G
L
N
E
H
G
Y
I
I
P
G
L
G
D
A
G
D
K
I
F
G
T
----
73
HHSearch
87.41
54%
-165
- C5 -
-
1I5E
1
UPP_BACCL
A:
[2-209]
G
K
V
Y
V
F
D
H
P
L
I
Q
H
K
L
T
Y
I
R
D
K
N
T
G
T
K
E
F
R
E
L
V
D
E
V
A
T
L
M
A
F
E
I
T
R
D
L
P
L
E
E
V
E
I
E
-----
T
P
V
S
K
-
A
-
R
A
K
V
I
A
---
G
K
K
L
G
V
I
P
I
L
R
A
G
I
G
M
V
D
G
I
L
K
L
I
P
A
A
K
V
G
H
I
G
L
Y
R
D
P
Q
T
-------
L
K
P
V
E
Y
Y
V
K
L
P
S
D
V
E
E
R
D
--
F
I
I
V
D
P
M
L
A
T
G
G
S
A
-
V
A
A
I
D
A
L
K
K
R
G
A
--
K
S
I
K
F
M
C
--
L
I
A
A
P
E
G
V
K
A
V
E
T
A
H
P
D
V
D
I
Y
I
A
A
L
D
E
R
L
N
D
H
G
Y
I
V
P
G
L
G
D
A
G
D
R
L
F
G
T
K
---
24
PsiBlast_CBE
87.01
56%
-161
- C5 -
-
1I5E
1
UPP_BACCL
B:
[9-208]
-------
H
P
L
I
Q
H
K
L
T
Y
I
R
D
K
N
T
G
T
K
E
F
R
E
L
V
D
E
V
A
T
L
M
A
F
E
I
T
R
D
L
P
L
E
E
V
E
I
E
-----
T
P
V
S
K
-
A
-
R
A
K
V
I
A
---
G
K
K
L
G
V
I
P
I
L
R
A
G
I
G
M
V
D
G
I
L
K
L
I
P
A
A
K
V
G
H
I
G
L
Y
R
D
P
Q
T
-------
L
K
P
V
E
Y
Y
V
K
L
P
S
D
V
E
E
R
D
--
F
I
I
V
D
P
M
L
A
T
G
G
S
A
-
V
A
A
I
D
A
L
K
K
R
G
A
--
K
S
I
K
F
M
C
--
L
I
A
A
P
E
G
V
K
A
V
E
T
A
H
P
D
V
D
I
Y
I
A
A
L
D
E
R
L
N
D
H
G
Y
I
V
P
G
L
G
D
A
G
D
R
L
F
G
T
----
81
HHSearch
86.06
47%
-153
- C5 -
-
1V9S
-
UPP_THET2
B:
[1-208]
M
R
I
T
L
V
D
H
P
L
V
Q
H
K
L
A
H
L
R
D
K
R
T
G
P
K
D
F
R
E
L
A
E
E
V
A
M
L
M
A
Y
E
A
M
R
D
L
E
L
E
E
T
T
V
E
-----
T
P
I
A
P
-
A
-
R
V
K
V
L
S
---
G
K
K
L
A
L
V
A
I
L
R
A
G
L
V
M
V
E
G
I
L
K
L
V
P
H
A
R
V
G
H
I
G
L
Y
R
D
P
E
S
-------
L
N
P
V
Q
Y
Y
I
K
L
P
P
D
I
A
E
R
R
--
A
F
L
L
D
P
M
L
A
T
G
G
S
A
-
S
L
A
L
S
L
L
K
E
R
G
A
--
T
G
V
K
L
M
A
--
I
L
A
A
P
E
G
L
E
R
I
A
K
D
H
P
D
T
E
V
V
V
A
A
I
D
E
R
L
N
D
H
G
Y
I
V
P
G
L
G
D
A
G
D
R
I
Y
G
T
K
---
2
PsiBlast_PDB
86.02
56%
-162
- C5 -
-
1I5E
1
UPP_BACCL
A:
[9-208]
-------
H
P
L
I
Q
H
K
L
T
Y
I
R
D
K
N
T
G
T
K
E
F
R
E
L
V
D
E
V
A
T
L
M
A
F
E
I
T
R
D
L
P
L
E
E
V
E
I
E
-----
T
P
V
S
K
-
A
-
R
A
K
V
I
A
---
G
K
K
L
G
V
I
P
I
L
R
A
G
I
G
M
V
D
G
I
L
K
L
I
P
A
A
K
V
G
H
I
G
L
Y
R
D
P
Q
T
-------
L
K
P
V
E
Y
Y
V
K
L
P
S
D
V
E
E
R
D
--
F
I
I
V
D
P
M
L
A
T
G
G
S
A
-
V
A
A
I
D
A
L
K
K
R
G
A
--
K
S
I
K
F
M
C
--
L
I
A
A
P
E
G
V
K
A
V
E
T
A
H
P
D
V
D
I
Y
I
A
A
L
D
E
R
L
N
D
H
G
Y
I
V
P
G
L
G
D
A
G
D
R
L
F
G
T
----
5
PsiBlast_PDB
84.31
45%
-170
- C5 -
-
1V9S
-
UPP_THET2
A:
[6-207]
-----
V
D
H
P
L
V
Q
H
K
L
A
H
L
R
D
K
R
T
G
P
K
D
F
R
E
L
A
E
E
V
A
M
L
M
A
Y
E
A
M
R
D
L
E
L
E
E
T
T
V
E
-----
T
P
I
A
P
-
A
-
R
V
K
V
L
S
---
G
K
K
L
A
L
V
A
I
L
R
A
G
L
V
M
V
E
G
I
L
K
L
V
P
H
A
R
V
G
H
I
G
L
Y
----------------
Q
Y
Y
I
K
L
P
P
D
I
A
E
R
R
--
A
F
L
L
D
P
M
L
A
T
G
G
S
A
-
S
L
A
L
S
L
L
K
E
R
G
A
--
T
G
V
K
L
M
A
--
I
L
A
A
P
E
G
L
E
R
I
A
K
D
H
P
D
T
E
V
V
V
A
A
I
D
E
R
L
N
D
H
G
Y
I
V
P
G
L
G
D
A
G
D
R
I
Y
G
T
----
80
HHSearch
81.95
46%
-164
- C5 -
-
1O5O
1
UPP_THEMA
A:
[15-221]
-
N
L
V
V
V
D
H
P
L
I
K
H
K
L
T
I
M
R
D
K
N
T
G
P
K
E
F
R
E
L
L
R
E
I
T
L
L
L
A
Y
E
A
T
R
H
L
K
C
E
E
V
E
V
E
-----
T
P
I
T
K
-
T
-
I
G
Y
R
I
N
---
D
K
D
I
V
V
V
P
I
L
R
A
G
L
V
M
A
D
G
I
L
E
L
L
P
N
A
S
V
G
H
I
G
I
Y
R
D
P
E
T
-------
L
Q
A
V
E
Y
Y
A
K
L
P
P
L
N
D
D
K
E
--
V
F
L
L
D
P
M
L
A
T
G
V
S
S
-
I
K
A
I
E
I
L
K
E
N
G
A
--
K
K
I
T
L
V
A
--
L
I
A
A
P
E
G
V
E
A
V
E
K
K
Y
E
D
V
K
I
Y
V
A
A
L
D
E
R
L
N
D
H
G
Y
I
I
P
G
L
G
D
A
G
D
R
L
F
R
T
K
---
4
PsiBlast_PDB
80.93
47%
-170
- C5 -
-
1O5O
1
UPP_THEMA
A:
[19-218]
-----
V
D
H
P
L
I
K
H
K
L
T
I
M
R
D
K
N
T
G
P
K
E
F
R
E
L
L
R
E
I
T
L
L
L
A
Y
E
A
T
R
H
L
K
C
E
E
V
E
V
E
-----
T
P
I
T
K
-
T
-
I
G
Y
R
I
N
---
D
K
D
I
V
V
V
P
I
L
R
A
G
L
V
M
A
D
G
I
L
E
L
L
P
N
A
S
V
G
H
I
G
I
Y
R
D
P
E
T
-------
L
Q
A
V
E
Y
Y
A
K
L
P
P
L
N
D
D
K
E
--
V
F
L
L
D
P
M
L
A
T
G
V
S
S
-
I
K
A
I
E
I
L
K
E
N
G
A
--
K
K
I
T
L
V
A
--
L
I
A
A
P
E
G
V
E
A
V
E
K
K
Y
E
D
V
K
I
Y
V
A
A
L
D
E
R
L
N
D
H
G
Y
I
I
P
G
L
G
D
A
G
D
R
L
F
------
27
PsiBlast_CBE
80.35
47%
-167
- C5 -
-
1O5O
1
UPP_THEMA
B:
[19-218]
-----
V
D
H
P
L
I
K
H
K
L
T
I
M
R
D
K
N
T
G
P
K
E
F
R
E
L
L
R
E
I
T
L
L
L
A
Y
E
A
T
R
H
L
K
C
E
E
V
E
V
E
-----
T
P
I
T
K
-
T
-
I
G
Y
R
I
N
---
D
K
D
I
V
V
V
P
I
L
R
A
G
L
V
M
A
D
G
I
L
E
L
L
P
N
A
S
V
G
H
I
G
I
Y
R
D
P
E
T
-------
L
Q
A
V
E
Y
Y
A
K
L
P
P
L
N
D
D
K
E
--
V
F
L
L
D
P
M
L
A
T
G
V
S
S
-
I
K
A
I
E
I
L
K
E
N
G
A
--
K
K
I
T
L
V
A
--
L
I
A
A
P
E
G
V
E
A
V
E
K
K
Y
E
D
V
K
I
Y
V
A
A
L
D
E
R
L
N
D
H
G
Y
I
I
P
G
L
G
D
A
G
D
R
L
F
------
25
PsiBlast_CBE
80.31
47%
-171
- C5 -
-
1O5O
1
UPP_THEMA
D:
[19-218]
-----
V
D
H
P
L
I
K
H
K
L
T
I
M
R
D
K
N
T
G
P
K
E
F
R
E
L
L
R
E
I
T
L
L
L
A
Y
E
A
T
R
H
L
K
C
E
E
V
E
V
E
-----
T
P
I
T
K
-
T
-
I
G
Y
R
I
N
---
D
K
D
I
V
V
V
P
I
L
R
A
G
L
V
M
A
D
G
I
L
E
L
L
P
N
A
S
V
G
H
I
G
I
Y
R
D
P
E
T
-------
L
Q
A
V
E
Y
Y
A
K
L
P
P
L
N
D
D
K
E
--
V
F
L
L
D
P
M
L
A
T
G
V
S
S
-
I
K
A
I
E
I
L
K
E
N
G
A
--
K
K
I
T
L
V
A
--
L
I
A
A
P
E
G
V
E
A
V
E
K
K
Y
E
D
V
K
I
Y
V
A
A
L
D
E
R
L
N
D
H
G
Y
I
I
P
G
L
G
D
A
G
D
R
L
F
------
78
HHSearch
80.12
42%
-159
- C5 -
-
5E38
-
UPP_MYCTU
D:
[1-204]
V
Q
V
H
V
V
D
H
P
L
A
A
A
R
L
T
T
L
R
D
E
R
T
D
N
A
G
F
R
A
A
L
R
E
L
T
L
L
L
I
Y
E
A
T
R
D
A
P
C
E
P
V
P
I
R
-----
T
P
L
A
E
-
T
-
V
G
S
R
-
L
---
T
K
P
P
L
L
V
P
V
L
R
A
G
L
G
M
V
D
E
A
H
A
A
L
P
E
A
H
V
G
F
V
G
V
A
R
D
E
Q
T
-------
H
Q
P
V
P
Y
L
D
S
L
P
D
D
L
T
D
V
P
--
V
M
V
L
D
P
M
V
A
T
G
G
S
M
-
T
H
T
L
G
L
L
I
S
R
G
A
--
A
D
I
T
V
L
C
--
V
V
A
A
P
E
G
I
A
A
L
Q
K
A
A
P
N
V
R
L
F
T
A
A
I
D
E
G
L
N
E
V
A
Y
I
V
P
G
L
G
D
A
G
D
R
Q
F
------
26
PsiBlast_CBE
79.90
47%
-164
- C5 -
-
1O5O
1
UPP_THEMA
C:
[19-218]
-----
V
D
H
P
L
I
K
H
K
L
T
I
M
R
D
K
N
T
G
P
K
E
F
R
E
L
L
R
E
I
T
L
L
L
A
Y
E
A
T
R
H
L
K
C
E
E
V
E
V
E
-----
T
P
I
T
K
-
T
-
I
G
Y
R
I
N
---
D
K
D
I
V
V
V
P
I
L
R
A
G
L
V
M
A
D
G
I
L
E
L
L
P
N
A
S
V
G
H
I
G
I
Y
R
D
P
E
T
-------
L
Q
A
V
E
Y
Y
A
K
L
P
P
L
N
D
D
K
E
--
V
F
L
L
D
P
M
L
A
T
G
V
S
S
-
I
K
A
I
E
I
L
K
E
N
G
A
--
K
K
I
T
L
V
A
--
L
I
A
A
P
E
G
V
E
A
V
E
K
K
Y
E
D
V
K
I
Y
V
A
A
L
D
E
R
L
N
D
H
G
Y
I
I
P
G
L
G
D
A
G
D
R
L
F
------
83
HHSearch
79.04
48%
-88
- C5 -
-
3DMP
-
UPP_BURPS
C:
[9-213]
-
N
L
F
I
L
D
H
P
L
I
Q
H
K
L
T
H
M
R
D
K
D
T
S
T
R
T
F
R
E
L
L
R
E
I
T
L
L
M
G
Y
E
I
T
R
N
L
P
I
T
T
K
R
V
E
-----
T
P
L
V
E
-
I
D
A
P
V
-
I
A
---
G
K
K
L
A
I
V
P
V
L
R
A
G
V
G
M
S
D
G
L
L
E
L
I
P
S
A
R
V
G
H
I
G
V
Y
R
A
D
D
---------
R
P
V
E
Y
L
V
R
L
P
-
D
L
E
D
R
I
--
F
I
L
C
D
P
M
V
A
T
G
Y
S
A
-
A
H
A
I
D
V
L
K
R
R
G
V
PG
E
R
L
M
F
L
A
--
L
V
A
A
P
E
G
V
Q
V
F
Q
D
A
H
P
D
V
K
L
Y
V
A
S
L
D
S
H
L
D
D
H
A
Y
I
V
P
G
L
G
D
A
G
D
R
L
F
G
-----
3
PsiBlast_PDB
78.64
50%
-114
- C5 -
-
3DMP
-
UPP_BURPS
A:
[15-213]
-------
H
P
L
I
Q
H
K
L
T
H
M
R
D
K
D
T
S
T
R
T
F
R
E
L
L
R
E
I
T
L
L
M
G
Y
E
I
T
R
N
L
P
I
T
T
K
R
V
E
-----
T
P
L
V
E
-
I
-
D
A
P
V
I
A
---
G
K
K
L
A
I
V
P
V
L
R
A
G
V
G
M
S
D
G
L
L
E
L
I
P
S
A
R
V
G
H
I
G
V
Y
R
A
D
D
H
-------
R
P
V
E
--
Y
L
V
R
L
P
D
L
E
D
R
I
--
F
I
L
C
D
P
M
V
A
T
G
Y
S
A
-
A
H
A
I
D
V
L
K
R
R
G
V
--
P
G
E
R
L
M
F
L
A
L
V
A
A
P
E
G
V
Q
V
F
Q
D
A
H
P
D
V
K
L
Y
V
A
S
L
D
S
H
L
D
D
H
A
Y
I
V
P
G
L
G
D
A
G
D
R
L
F
G
-----
7
PsiBlast_PDB
77.81
42%
-155
- C5 -
-
5E38
-
UPP_MYCTU
A:
[3-204]
--
V
H
V
V
D
H
P
L
A
A
A
R
L
T
T
L
R
D
E
R
T
D
N
A
G
F
R
A
A
L
R
E
L
T
L
L
L
I
Y
E
A
T
R
D
A
P
C
E
P
V
P
I
R
-----
T
P
L
A
E
-
T
-
V
G
S
R
L
T
----
K
P
P
L
L
V
P
V
L
R
A
G
L
G
M
V
D
E
A
H
A
A
L
P
E
A
H
V
G
F
V
G
V
A
R
D
E
Q
T
-------
H
Q
P
V
P
Y
L
D
S
L
P
D
D
L
T
D
V
P
--
V
M
V
L
D
P
M
V
A
T
G
G
S
M
-
T
H
T
L
G
L
L
I
S
R
G
A
--
A
D
I
T
V
L
C
--
V
V
A
A
P
E
G
I
A
A
L
Q
K
A
A
P
N
V
R
L
F
T
A
A
I
D
E
G
L
N
E
V
A
Y
I
V
P
G
L
G
D
A
G
D
R
Q
F
------
84
HHSearch
77.62
48%
-82
- C5 -
-
3DMP
-
UPP_BURPS
D:
[9-213]
-
N
L
F
I
L
D
H
P
L
I
Q
H
K
L
T
H
M
R
D
K
D
T
S
T
R
T
F
R
E
L
L
R
E
I
T
L
L
M
G
Y
E
I
T
R
N
L
P
I
T
T
K
R
V
E
-----
T
P
L
V
E
-
I
D
A
P
V
-
I
A
---
G
K
K
L
A
I
V
P
V
L
R
A
G
V
G
M
S
D
G
L
L
E
L
I
P
S
A
R
V
G
H
I
G
V
Y
R
A
D
D
--------
H
R
P
V
E
Y
L
V
R
L
P
-
D
L
E
D
R
I
--
F
I
L
C
D
P
M
V
A
T
G
Y
S
A
-
A
H
A
I
D
V
L
K
R
R
G
V
PG
E
R
L
M
F
L
A
--
L
V
A
A
P
E
G
V
Q
V
F
Q
D
A
H
P
D
V
K
L
Y
V
A
S
L
D
S
H
L
D
D
H
A
Y
I
V
P
G
L
G
D
A
G
D
R
L
F
G
-----
6
PsiBlast_PDB
73.89
40%
-115
- C5 -
-
2E55
-
UPP_AQUAE
A:
[2-204]
--
I
V
E
L
S
H
P
L
I
K
H
K
V
N
T
A
R
I
Q
D
T
S
A
E
K
L
R
K
T
L
K
E
L
G
F
M
L
V
Y
E
A
L
K
D
I
L
L
E
E
K
E
V
R
-----
T
W
I
G
N
-
K
-
R
F
N
Y
L
N
---
E
E
E
I
V
F
V
P
I
L
R
A
G
L
S
F
L
E
G
A
L
Q
V
V
P
N
A
K
V
G
F
L
G
I
K
R
N
E
E
T
-------
L
E
S
H
I
Y
Y
S
R
L
-
P
E
L
K
G
K
I
--
V
V
I
L
D
P
M
L
A
T
G
G
T
L
E
V
A
L
R
E
I
L
K
H
S
P
L
--
K
-
V
K
S
V
H
--
A
I
A
A
P
E
G
L
K
R
I
E
E
K
F
K
E
V
E
I
F
V
G
N
V
D
E
R
L
N
D
K
G
Y
I
I
P
G
L
G
D
I
G
D
R
L
Y
A
-----
76
HHSearch
71.05
38%
-76
- C5 -
-
2E55
-
UPP_AQUAE
B:
[2-206]
--
I
V
E
L
S
H
P
L
I
K
H
K
V
N
T
A
R
I
Q
D
T
S
A
E
K
L
R
K
T
L
K
E
L
G
F
M
L
V
Y
E
A
L
K
D
I
L
L
E
E
K
E
V
R
-----
T
W
I
G
N
-
K
R
F
N
Y
-
L
N
---
E
E
E
I
V
F
V
P
I
L
R
A
G
L
S
F
L
E
G
A
L
Q
V
V
P
N
A
K
V
G
F
L
G
I
K
R
N
E
E
T
-------
L
E
S
H
I
Y
Y
S
R
L
P
E
-
L
K
G
K
I
--
V
V
I
L
D
P
M
L
A
T
G
G
T
L
-
E
V
A
L
R
E
I
L
K
H
S
P
--
L
K
V
K
S
V
H
--
A
I
A
A
P
E
G
L
K
R
I
E
E
K
F
K
E
V
E
I
F
V
G
N
V
D
E
R
L
N
D
K
G
Y
I
I
P
G
L
G
D
I
G
D
R
L
Y
A
V
S
---
82
HHSearch
68.62
32%
-69
* C5 *
-
1BD3
-
UPP_TOXGO
D:
[36-243]
--
V
L
M
K
Q
T
A
Q
L
R
A
M
M
T
I
I
R
D
K
E
T
P
K
E
E
F
V
F
Y
A
D
R
L
I
R
L
L
I
E
E
A
L
N
E
L
P
F
Q
K
K
E
V
T
-----
T
P
L
D
V
S
Y
-
H
G
V
S
F
----
Y
S
K
I
C
G
V
S
I
V
R
A
G
E
S
M
E
S
G
L
R
A
V
C
R
G
V
R
I
G
K
I
L
I
Q
R
D
E
T
T
-------
A
E
P
K
L
I
Y
E
K
L
P
A
D
I
R
E
R
W
--
V
M
L
L
D
P
M
C
A
T
A
G
S
V
-
C
K
A
I
E
V
L
L
R
L
G
V
KE
E
R
I
I
F
V
N
--
I
L
A
A
P
Q
G
I
E
R
V
F
K
E
Y
P
K
V
R
M
V
T
A
A
V
D
I
C
L
N
S
R
Y
Y
I
V
P
G
I
G
D
F
G
D
R
Y
F
G
T
M
---
49
PsiBlast_CBE
67.04
32%
-39
- C5 -
-
3G6W
6
UPP_SULSO
D:
[2-216]
-
P
L
Y
V
I
D
K
P
I
T
L
H
I
L
T
Q
L
R
D
K
Y
T
D
Q
I
N
F
R
K
N
L
V
R
L
G
R
I
L
G
Y
E
I
S
N
T
L
D
Y
E
I
V
E
V
E
-----
T
P
L
G
--
V
-
K
T
K
G
V
D
ITD
L
N
N
I
V
I
I
N
I
L
R
A
A
V
P
L
V
E
G
L
L
K
A
F
P
K
A
R
Q
G
V
I
G
A
S
R
V
E
V
D
GKEVPKD
M
D
V
Y
I
Y
Y
K
K
-
I
P
D
I
R
A
K
V
DN
V
I
I
A
D
P
M
I
A
T
A
S
T
M
-
L
K
V
L
E
E
V
V
K
A
N
P
--
K
R
I
Y
I
V
S
--
I
I
S
S
E
Y
G
V
N
K
I
L
S
K
Y
P
F
I
Y
L
F
T
V
A
I
D
P
E
L
N
N
K
G
Y
I
L
P
G
L
G
D
A
G
D
R
A
F
G
-----
50
PsiBlast_CBE
65.47
32%
-37
- C5 -
-
3G6W
6
UPP_SULSO
C:
[2-216]
-
P
L
Y
V
I
D
K
P
I
T
L
H
I
L
T
Q
L
R
D
K
Y
T
D
Q
I
N
F
R
K
N
L
V
R
L
G
R
I
L
G
Y
E
I
S
N
T
L
D
Y
E
I
V
E
V
E
-----
T
P
L
G
--
V
-
K
T
K
G
V
D
ITD
L
N
N
I
V
I
I
N
I
L
R
A
A
V
P
L
V
E
G
L
L
K
A
F
P
K
A
R
Q
G
V
I
G
A
S
R
V
---KD-----
M
D
V
Y
I
Y
Y
K
K
-
I
P
D
I
R
A
K
V
DN
V
I
I
A
D
P
M
I
A
T
A
S
T
M
-
L
K
V
L
E
E
V
V
K
A
N
P
--
K
R
I
Y
I
V
S
--
I
I
S
S
E
Y
G
V
N
K
I
L
S
K
Y
P
F
I
Y
L
F
T
V
A
I
D
P
E
L
N
N
K
G
Y
I
L
P
G
L
G
D
A
G
D
R
A
F
G
-----
51
PsiBlast_CBE
64.44
32%
-35
- C5 -
-
3G6W
6
UPP_SULSO
B:
[2-216]
-
P
L
Y
V
I
D
K
P
I
T
L
H
I
L
T
Q
L
R
D
K
Y
T
D
Q
I
N
F
R
K
N
L
V
R
L
G
R
I
L
G
Y
E
I
S
N
T
L
D
Y
E
I
V
E
V
E
-----
T
P
L
G
--
V
-
K
T
K
G
V
D
ITD
L
N
N
I
V
I
I
N
I
L
R
A
A
V
P
L
V
E
G
L
L
K
A
F
P
K
A
R
Q
G
V
I
G
A
S
R
----K
D
-----
M
D
V
Y
I
Y
Y
K
K
-
I
P
D
I
R
A
K
V
D
N
V
I
I
A
D
P
M
I
A
T
A
S
T
M
-
L
K
V
L
E
E
V
V
K
A
N
P
--
K
R
I
Y
I
V
S
--
I
I
S
S
E
Y
G
V
N
K
I
L
S
K
Y
P
F
I
Y
L
F
T
V
A
I
D
P
E
L
N
N
K
G
Y
I
L
P
G
L
G
D
A
G
D
R
A
F
G
-----
11
PsiBlast_PDB
63.55
33%
-50
- C5 -
-
1BD4
1
UPP_TOXGO
D:
[44-243]
----------
L
R
A
M
M
T
I
I
R
D
K
E
T
P
K
E
E
F
V
F
Y
A
D
R
L
I
R
L
L
I
E
E
A
L
N
E
L
P
F
Q
K
K
E
V
T
TPLDV
S
Y
H
G
V
-
S
-
F
Y
S
K
I
C
---
G
-----
V
S
I
V
R
A
G
E
S
M
E
S
G
L
R
A
V
C
R
G
V
R
I
G
K
I
L
I
Q
R
D
E
T
T
-------
A
E
P
K
L
I
Y
E
K
L
P
A
D
I
R
E
R
W
--
V
M
L
L
D
P
M
C
A
T
A
G
S
V
-
C
K
A
I
E
V
L
L
R
L
G
V
--
K
E
E
R
I
I
F
VN
I
L
A
A
P
Q
G
I
E
R
V
F
K
E
Y
P
K
V
R
M
V
T
A
A
V
D
I
C
L
N
S
R
Y
Y
I
V
P
G
I
G
D
F
G
D
R
Y
F
G
T
M
---
43
PsiBlast_CBE
63.40
33%
-54
- C5 -
-
1BD4
1
UPP_TOXGO
C:
[44-243]
----------
L
R
A
M
M
T
I
I
R
D
K
E
T
P
K
E
E
F
V
F
Y
A
D
R
L
I
R
L
L
I
E
E
A
L
N
E
L
P
F
Q
K
K
E
V
T
TPLDV
S
Y
H
G
V
-
S
-
F
Y
S
K
I
C
---
G
-----
V
S
I
V
R
A
G
E
S
M
E
S
G
L
R
A
V
C
R
G
V
R
I
G
K
I
L
I
Q
R
D
E
T
T
-------
A
E
P
K
L
I
Y
E
K
L
P
A
D
I
R
E
R
W
--
V
M
L
L
D
P
M
C
A
T
A
G
S
V
-
C
K
A
I
E
V
L
L
R
L
G
V
--
K
E
E
R
I
I
F
VN
I
L
A
A
P
Q
G
I
E
R
V
F
K
E
Y
P
K
V
R
M
V
T
A
A
V
D
I
C
L
N
S
R
Y
Y
I
V
P
G
I
G
D
F
G
D
R
Y
F
G
T
M
---
36
PsiBlast_CBE
62.96
33%
-47
- C5 -
-
1UPF
1
UPP_TOXGO
A:
[25-224]
----------
L
R
A
M
M
T
I
I
R
D
K
E
T
P
K
E
E
F
V
F
Y
A
D
R
L
I
R
L
L
I
E
E
A
L
N
E
L
P
F
Q
K
K
E
V
T
T
PLDV
S
Y
H
G
V
-
S
-
F
Y
S
K
I
C
---
G
-----
V
S
I
V
R
A
G
E
S
M
E
S
G
L
R
A
V
C
R
G
V
R
I
G
K
I
L
I
Q
R
D
E
T
T
-------
A
E
P
K
L
I
Y
E
K
L
P
A
D
I
R
E
R
W
--
V
M
L
L
D
P
M
C
A
T
A
G
S
V
-
C
K
A
I
E
V
L
L
R
L
G
V
--
K
E
E
R
I
I
F
V
N
I
L
A
A
P
Q
G
I
E
R
V
F
K
E
Y
P
K
V
R
M
V
T
A
A
V
D
I
C
L
N
S
R
Y
Y
I
V
P
G
I
G
D
F
G
D
R
Y
F
G
T
M
---
34
PsiBlast_CBE
62.91
33%
-54
- C5 -
-
1UPF
1
UPP_TOXGO
C:
[25-224]
----------
L
R
A
M
M
T
I
I
R
D
K
E
T
P
K
E
E
F
V
F
Y
A
D
R
L
I
R
L
L
I
E
E
A
L
N
E
L
P
F
Q
K
K
E
V
T
TPLDV
S
Y
H
G
V
-
S
-
F
Y
S
K
I
C
---
G
-----
V
S
I
V
R
A
G
E
S
M
E
S
G
L
R
A
V
C
R
G
V
R
I
G
K
I
L
I
Q
R
D
E
T
T
-------
A
E
P
K
L
I
Y
E
K
L
P
A
D
I
R
E
R
W
--
V
M
L
L
D
P
M
C
A
T
A
G
S
V
-
C
K
A
I
E
V
L
L
R
L
G
V
--
K
E
E
R
I
I
F
VN
I
L
A
A
P
Q
G
I
E
R
V
F
K
E
Y
P
K
V
R
M
V
T
A
A
V
D
I
C
L
N
S
R
Y
Y
I
V
P
G
I
G
D
F
G
D
R
Y
F
G
T
M
---
45
PsiBlast_CBE
62.60
33%
-54
- C5 -
-
1BD4
1
UPP_TOXGO
A:
[44-243]
----------
L
R
A
M
M
T
I
I
R
D
K
E
T
P
K
E
E
F
V
F
Y
A
D
R
L
I
R
L
L
I
E
E
A
L
N
E
L
P
F
Q
K
K
E
V
T
T
PLD
V
S
Y
H
G
V
-
S
-
F
Y
S
K
I
C
---
G
-----
V
S
I
V
R
A
G
E
S
M
E
S
G
L
R
A
V
C
R
G
V
R
I
G
K
I
L
I
Q
R
D
E
T
T
-------
A
E
P
K
L
I
Y
E
K
L
P
A
D
I
R
E
R
W
--
V
M
L
L
D
P
M
C
A
T
A
G
S
V
-
C
K
A
I
E
V
L
L
R
L
G
V
--
K
E
E
R
I
I
F
V
N
I
L
A
A
P
Q
G
I
E
R
V
F
K
E
Y
P
K
V
R
M
V
T
A
A
V
D
I
C
L
N
S
R
Y
Y
I
V
P
G
I
G
D
F
G
D
R
Y
F
G
T
M
---
37
PsiBlast_CBE
62.37
33%
-45
- C5 -
-
1JLS
1
UPP_TOXGO
D:
[44-242]
----------
L
R
A
M
M
T
I
I
R
D
K
E
T
P
K
E
E
F
V
F
Y
A
D
R
L
I
R
L
L
I
E
E
A
L
N
E
L
P
F
Q
K
K
E
V
T
TPLDV
S
Y
H
G
V
-
S
-
F
Y
S
K
I
C
---
G
-----
V
S
I
V
R
A
G
E
S
M
E
S
G
L
R
A
V
C
R
G
V
R
I
G
K
I
L
I
Q
R
D
-----------
E
P
K
L
I
Y
E
K
L
P
A
D
I
R
E
R
W
--
V
M
L
L
D
P
M
C
A
T
A
G
S
V
-
C
K
A
I
E
V
L
L
R
L
G
V
--
K
E
E
R
I
I
F
VN
I
L
A
A
P
Q
G
I
E
R
V
F
K
E
Y
P
K
V
R
M
V
T
A
A
V
D
I
C
L
N
S
R
Y
Y
I
V
P
G
I
G
D
F
G
D
R
Y
F
G
T
----
44
PsiBlast_CBE
62.16
33%
-48
- C5 -
-
1BD4
1
UPP_TOXGO
B:
[44-243]
----------
L
R
A
M
M
T
I
I
R
D
K
E
T
P
K
E
E
F
V
F
Y
A
D
R
L
I
R
L
L
I
E
E
A
L
N
E
L
P
F
Q
K
K
E
V
T
TPLDV
S
Y
H
G
V
-
S
-
F
Y
S
K
I
C
---
G
-----
V
S
I
V
R
A
G
E
S
M
E
S
G
L
R
A
V
C
R
G
V
R
I
G
K
I
L
I
Q
R
D
E
T
T
-------
A
E
P
K
L
I
Y
E
K
L
P
A
D
I
R
E
R
W
--
V
M
L
L
D
P
M
C
A
T
A
G
S
V
-
C
K
A
I
E
V
L
L
R
L
G
V
--
K
E
E
R
I
I
F
VN
I
L
A
A
P
Q
G
I
E
R
V
F
K
E
Y
P
K
V
R
M
V
T
A
A
V
D
I
C
L
N
S
R
Y
Y
I
V
P
G
I
G
D
F
G
D
R
Y
F
G
T
M
---
38
PsiBlast_CBE
62.06
33%
-41
- C5 -
-
1JLS
1
UPP_TOXGO
C:
[44-242]
----------
L
R
A
M
M
T
I
I
R
D
K
E
T
P
K
E
E
F
V
F
Y
A
D
R
L
I
R
L
L
I
E
E
A
L
N
E
L
P
F
Q
K
K
E
V
T
TPLDV
S
Y
H
G
V
-
S
-
F
Y
S
K
I
C
---
G
-----
V
S
I
V
R
A
G
E
S
M
E
S
G
L
R
A
V
C
R
G
V
R
I
G
K
I
L
I
Q
R
D
E
T
T
-------
A
E
P
K
L
I
Y
E
K
L
P
A
D
I
R
E
R
W
--
V
M
L
L
D
P
M
C
A
T
A
G
S
V
-
C
K
A
I
E
V
L
L
R
L
G
V
--
K
E
E
R
I
I
F
VN
I
L
A
A
P
Q
G
I
E
R
V
F
K
E
Y
P
K
V
R
M
V
T
A
A
V
D
I
C
L
N
S
R
Y
Y
I
V
P
G
I
G
D
F
G
D
R
Y
F
G
T
----
39
PsiBlast_CBE
61.22
33%
-47
- C5 -
-
1JLS
2
UPP_TOXGO
A:
[44-242]
----------
L
R
A
M
M
T
I
I
R
D
K
E
T
P
K
E
E
F
V
F
Y
A
D
R
L
I
R
L
L
I
E
E
A
L
N
E
L
P
F
Q
K
K
E
V
T
T
PLDV
S
Y
H
G
V
-
S
-
F
Y
S
K
I
C
---
G
-----
V
S
I
V
R
A
G
E
S
M
E
S
G
L
R
A
V
C
R
G
V
R
I
G
K
I
L
I
Q
R
D
-----------
E
P
K
L
I
Y
E
K
L
P
A
D
I
R
E
R
W
--
V
M
L
L
D
P
M
C
A
T
A
G
S
V
-
C
K
A
I
E
V
L
L
R
L
G
V
--
K
E
E
R
I
I
F
V
N
I
L
A
A
P
Q
G
I
E
R
V
F
K
E
Y
P
K
V
R
M
V
T
A
A
V
D
I
C
L
N
S
R
Y
Y
I
V
P
G
I
G
D
F
G
D
R
Y
F
G
T
----
35
PsiBlast_CBE
61.12
33%
-46
- C5 -
-
1UPF
1
UPP_TOXGO
B:
[25-224]
----------
L
R
A
M
M
T
I
I
R
D
K
E
T
P
K
E
E
F
V
F
Y
A
D
R
L
I
R
L
L
I
E
E
A
L
N
E
L
P
F
Q
K
K
E
V
T
TPLDV
S
Y
H
G
V
-
S
-
F
Y
S
K
I
C
---
G
-----
V
S
I
V
R
A
G
E
S
M
E
S
G
L
R
A
V
C
R
G
V
R
I
G
K
I
L
I
Q
R
D
E
T
T
-------
A
E
P
K
L
I
Y
E
K
L
P
A
D
I
R
E
R
W
--
V
M
L
L
D
P
M
C
A
T
A
G
S
V
-
C
K
A
I
E
V
L
L
R
L
G
V
--
K
E
E
R
I
I
F
VN
I
L
A
A
P
Q
G
I
E
R
V
F
K
E
Y
P
K
V
R
M
V
T
A
A
V
D
I
C
L
N
S
R
Y
Y
I
V
P
G
I
G
D
F
G
D
R
Y
F
G
T
M
---
12
PsiBlast_PDB
61.10
33%
-41
- C5 -
-
1JLS
2
UPP_TOXGO
B:
[44-243]
----------
L
R
A
M
M
T
I
I
R
D
K
E
T
P
K
E
E
F
V
F
Y
A
D
R
L
I
R
L
L
I
E
E
A
L
N
E
L
P
F
Q
K
K
E
V
T
T
PLD
V
S
Y
H
G
V
-
S
-
F
Y
S
K
I
C
---
G
-----
V
S
I
V
R
A
G
E
S
M
E
S
G
L
R
A
V
C
R
G
V
R
I
G
K
I
L
I
Q
R
D
E
T
T
-------
A
E
P
K
L
I
Y
E
K
L
P
A
D
I
R
E
R
W
--
V
M
L
L
D
P
M
C
A
T
A
G
S
V
-
C
K
A
I
E
V
L
L
R
L
G
V
--
K
E
E
R
I
I
F
V
N
I
L
A
A
P
Q
G
I
E
R
V
F
K
E
Y
P
K
V
R
M
V
T
A
A
V
D
I
C
L
N
S
R
Y
Y
I
V
P
G
I
G
D
F
G
D
R
Y
F
G
T
M
---
9
PsiBlast_PDB
60.70
33%
-50
- C5 -
-
1UPF
1
UPP_TOXGO
D:
[25-224]
----------
L
R
A
M
M
T
I
I
R
D
K
E
T
P
K
E
E
F
V
F
Y
A
D
R
L
I
R
L
L
I
E
E
A
L
N
E
L
P
F
Q
K
K
E
V
T
TPLDV
S
Y
H
G
V
-
S
-
F
Y
S
K
I
C
---
G
-----
V
S
I
V
R
A
G
E
S
M
E
S
G
L
R
A
V
C
R
G
V
R
I
G
K
I
L
I
Q
R
D
E
T
T
-------
A
E
P
K
L
I
Y
E
K
L
P
A
D
I
R
E
R
W
--
V
M
L
L
D
P
M
C
A
T
A
G
S
V
-
C
K
A
I
E
V
L
L
R
L
G
V
--
K
E
E
R
I
I
F
VN
I
L
A
A
P
Q
G
I
E
R
V
F
K
E
Y
P
K
V
R
M
V
T
A
A
V
D
I
C
L
N
S
R
Y
Y
I
V
P
G
I
G
D
F
G
D
R
Y
F
G
T
M
---