@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 : I3U4H2: (2017-12-27 )
MGKFQVIDHPLIQHKLTIIRDKNCGTKVFREVVDEIAMLMAYEVSRDMPLEDIVIETPITETTQKTLSGKKVAIIPILRAGIGMVDGILELIPAAKVGHIGLYRDEETLEPHEYFVKLPEDIDARQLFVVDPMLATGGSAIMAIDALKERGASNIKFVCLVAAPEGVKALQEAHPDIDIYTASLDEKLNEHGYIVPGLGDAGDRLFGTK
Atome Classification :
(38 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)
MGKFQVIDH
P
L
I
Q
H
K
L
T
I
I
RDKNC
G
T
K
V
F
R
E
V
V
D
E
I
A
M
L
M
A
Y
E
VSRDMPLE
D
I
V
IETPI
T
E
-
T
T
Q
K
T--LSG
K
K
V
A
I
I
P
I
L
R
A
G
I
G
M
V
D
G
I
L
E
LIPAAKVG
H
I
G
L
YRDE-------ETL
E
P
H
E
Y
F
V
KLPEDIDA
R
--
Q
L
F
V
VDPMLATGG
S
A
I
M
A
I
D
A
L
K
ERG--A--S--N
I
K
F
V
C
L
VAA
P
E
G
V
K
A
L
Q
E
AHPD
I
D
I
Y
T
A
S
L
D
E
K
L
NEHGYIVPGLGDAGDRLFGTK
1
PsiBlast_PDB
96.47
72%
-169
- C3 -
-
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
21
PsiBlast_CBE
96.15
72%
-168
- C3 -
-
1I5E
1
UPP_BACCL
B:
[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
85
HHSearch
90.48
73%
-101
- C3 -
-
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
88
HHSearch
90.10
58%
-167
- C3 -
-
1O5O
1
UPP_THEMA
A:
[13-221]
M
K
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
2
PsiBlast_PDB
89.78
57%
-167
- C3 -
-
1O5O
1
UPP_THEMA
A:
[13-221]
M
K
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
3
PsiBlast_PDB
89.50
56%
-172
- C3 -
-
1V9S
-
UPP_THET2
A:
[2-208]
--
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
----------------
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
22
PsiBlast_CBE
88.60
57%
-166
- C3 -
-
1O5O
1
UPP_THEMA
D:
[13-221]
M
K
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
23
PsiBlast_CBE
88.47
57%
-161
- C3 -
-
1O5O
1
UPP_THEMA
C:
[13-221]
M
K
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
24
PsiBlast_CBE
88.40
57%
-165
- C3 -
-
1O5O
1
UPP_THEMA
B:
[13-221]
M
K
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
5
PsiBlast_PDB
85.75
53%
-153
- C3 -
-
2EHJ
-
UPP_ECOLI
A:
[6-208]
------
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
95
HHSearch
85.58
57%
-90
- C3 -
-
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
--
94
HHSearch
84.92
57%
-82
- C3 -
-
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
4
PsiBlast_PDB
84.07
56%
-110
- C3 -
-
3DMP
-
UPP_BURPS
A:
[12-213]
-----
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
VP
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
--
96
HHSearch
83.89
57%
-85
- C3 -
-
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
--
92
HHSearch
83.58
46%
-158
- C3 -
-
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
---
91
HHSearch
80.89
53%
-83
- C3 -
-
2EHJ
-
UPP_ECOLI
A:
[1-208]
-
K
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
31
PsiBlast_CBE
79.41
35%
-114
- C3 -
-
1UPU
1
UPP_TOXGO
C:
[25-223]
-----------
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
--
K
EE
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
-
7
PsiBlast_PDB
78.46
38%
-151
- C3 -
-
2E55
-
UPP_AQUAE
A:
[5-205]
------
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
-
42
PsiBlast_CBE
77.76
35%
-115
- C3 -
-
1JLR
3
UPP_TOXGO
B:
[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
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
--
K
EE
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
-
32
PsiBlast_CBE
76.93
35%
-110
- C3 -
-
1UPU
1
UPP_TOXGO
B:
[25-223]
-----------
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
--
K
EE
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
-
38
PsiBlast_CBE
76.89
35%
-109
- C3 -
-
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
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
--
K
EE
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
-
45
PsiBlast_CBE
76.75
35%
-108
- C3 -
-
1BD4
1
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
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
--
K
EE
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
-
8
PsiBlast_PDB
76.56
35%
-109
- C3 -
-
1UPU
1
UPP_TOXGO
D:
[25-223]
-----------
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
--
K
EE
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
-
36
PsiBlast_CBE
76.52
35%
-104
- C3 -
-
1UPF
1
UPP_TOXGO
A:
[25-223]
-----------
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
--
K
EE
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
-
33
PsiBlast_CBE
76.36
35%
-107
- C3 -
-
1UPU
1
UPP_TOXGO
A:
[25-223]
-----------
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
--
K
EE
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
-
34
PsiBlast_CBE
76.18
35%
-110
- C3 -
-
1UPF
1
UPP_TOXGO
C:
[25-223]
-----------
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
--
K
EE
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
-
39
PsiBlast_CBE
76.15
35%
-111
- C3 -
-
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
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
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
EE
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
-
43
PsiBlast_CBE
76.10
35%
-111
- C3 -
-
1BD4
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
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
--
K
EE
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
-
37
PsiBlast_CBE
75.83
35%
-107
- C3 -
-
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
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
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
EE
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
-
97
HHSearch
75.44
35%
-79
* C3 *
-
1UPU
1
UPP_TOXGO
B:
[17-224]
---
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
35
PsiBlast_CBE
75.31
35%
-109
- C3 -
-
1UPF
1
UPP_TOXGO
B:
[25-223]
-----------
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
--
K
EE
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
-
11
PsiBlast_PDB
74.97
35%
-102
- C3 -
-
1BD4
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
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
--
K
EE
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
-
9
PsiBlast_PDB
74.78
35%
-111
- C3 -
-
1UPF
1
UPP_TOXGO
D:
[25-223]
-----------
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
--
K
EE
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
-
44
PsiBlast_CBE
74.30
35%
-103
- C3 -
-
1BD4
1
UPP_TOXGO
B:
[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
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
--
K
EE
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
-
12
PsiBlast_PDB
73.66
35%
-103
- C3 -
-
1JLS
2
UPP_TOXGO
B:
[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
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
--
K
EE
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
-
50
PsiBlast_CBE
72.55
33%
-57
- C3 -
-
3G6W
6
UPP_SULSO
C:
[3-216]
---
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
I
T
D
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
--------
K
D
M
D
V
Y
I
Y
Y
K
K
I
P
-
D
I
R
A
K
VD
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
--
49
PsiBlast_CBE
71.10
33%
-39
- C3 -
-
3G6W
6
UPP_SULSO
D:
[3-216]
---
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
DI
T
D
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
VDGKEVP
K
D
M
D
V
Y
I
Y
Y
K
K
I
P
-
D
I
R
A
K
VD
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
--
51
PsiBlast_CBE
70.67
33%
-56
- C3 -
-
3G6W
6
UPP_SULSO
B:
[3-216]
---
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
I
T
D
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
--