@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 : PA4975: (2016-03-03 )
MNVLIVHAHNEPQSFTRALCDQACETLAGQGHAVQVSDLYAMNWNPVASAADFAERADPDYLVYALEQRESVKRQSLAADIQAELDKLLWADLLILNFPIYWFSVPAILKGWFDRVLVSGVCYGGKRFYDQGGLAGKKALVSLTLGGRQHMFGEGAIHGPLEDMLRPILRGTLAYVGMQVLEPFVAWHVPYISEEARGNFLRAYRARLENLEQDVPLRFPRLEQFDALLQPLAR
Atome Classification :
(31 SA)
--.........10........20........30........40........50.....-..-.60........70........80........90........100.......110.......120.......130.......140.......150.......160.......170.......180.......190.......200.......210.......220.......230..------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
--
M
N
V
L
I
V
HAHN
E
P
Q
S
F
T
R
A
L
C
D
Q
A
C
E
T
LAGQG
H
A
V
Q
V
S
D
L
Y
A
MNWNPVA
S
A
A
D
F
A
ER-AD-PDY
L
V
Y
A
L
E
Q
R
E
S
V
K
R
Q
S
L
A
A
D
I
Q
A
E
L
D
K
L
L
W
A
D
L
L
I
L
NF
P
I
Y
WFS
V
P
A
I
L
K
G
W
F
D
R
V
L
V
S
GVCYGGKRFYDQGGLAGK
K
A
L
V
S
L
T
LGGRQHMFGEGAIHG
P
L
E
D
M
L
R
P
I
L
R
G
T
L
A
Y
V
G
M
Q
V
L
E
P
F
V
A
WHVPYIS
E
E
ARG
N
F
L
R
A
Y
R
A
R
L
E
N
LEQDVPLRFP
R
L
E
Q
F
D
A
L
L
Q
P
LAR------------------------------------
102
Fugue
94.71
40%
-134
- C1 -
1D4A
2
NQO1_HUMAN
A:
[1-273]
VG
R
R
A
L
I
V
L
A
H
S
E
R
T
S
F
N
Y
A
M
K
E
A
A
A
A
A
L
K
K
K
G
W
E
V
V
E
S
D
L
Y
A
M
N
F
N
P
I
I
S
R
K
D
I
T
G
K
L
K
D
-
P
A
N
F
Q
Y
P
A
E
S
V
L
A
Y
K
E
G
H
L
S
P
D
I
V
A
E
Q
K
K
L
E
A
A
D
L
V
I
F
Q
F
P
L
Q
W
F
G
V
P
A
I
L
K
G
W
F
E
R
V
F
I
G
E
F
A
Y
T
Y
A
A
M
Y
D
K
G
P
F
R
S
K
K
A
V
L
S
I
T
T
G
G
S
G
S
M
Y
S
L
Q
G
I
H
G
D
M
N
V
I
L
W
P
I
Q
S
G
I
L
H
F
C
G
F
Q
V
L
E
P
Q
L
T
Y
S
I
G
H
T
P
A
D
A
R
I
Q
I
L
E
G
W
K
K
R
L
E
N
I
W
D
E
T
P
L
Y
F
A
P
S
S
L
F
D
L
N
F
Q
A
G
F
L
MK
K
E
V
Q
D
E
E
K
NKKFGLSVGHHLGKSIPTDNQIKARK
111
HHSearch
94.06
41%
-134
- C1 -
1D4A
2
NQO1_HUMAN
A:
[3-229]
--
R
R
A
L
I
V
L
A
H
S
E
R
T
S
F
N
Y
A
M
K
E
A
A
A
A
A
L
K
K
K
G
W
E
V
V
E
S
D
L
Y
A
M
N
F
N
P
I
I
S
R
K
D
I
T
G
K
-
L
K
D
P
A
N
F
Q
Y
P
A
E
S
V
L
A
Y
K
E
G
H
L
S
P
D
I
V
A
E
Q
K
K
L
E
A
A
D
L
V
I
F
Q
F
P
L
Q
W
F
G
V
P
A
I
L
K
G
W
F
E
R
V
F
I
G
E
F
A
Y
T
Y
A
A
M
Y
D
K
G
P
F
R
S
K
K
A
V
L
S
I
T
T
G
G
S
G
S
M
Y
S
L
Q
G
I
H
G
D
M
N
V
I
L
W
P
I
Q
S
G
I
L
H
F
C
G
F
Q
V
L
E
P
Q
L
T
Y
S
I
G
H
T
P
A
D
A
R
I
Q
I
L
E
G
W
K
K
R
L
E
N
I
W
D
E
T
P
L
Y
F
A
P
S
S
L
F
D
--------------------------------------------
34
PsiBlast_CBE
91.67
43%
-136
- C1 -
3OVM
5
NQO2_HUMAN
B:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
75
PsiBlast_CBE
91.38
43%
-137
- C1 -
3NFR
5
NQO2_HUMAN
B:
[4-220]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
3
PsiBlast_PDB
91.07
43%
-136
- C1 -
2QWX
5
NQO2_HUMAN
A:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
17
PsiBlast_PDB
91.04
43%
-136
- C1 -
4QOI
5
NQO2_HUMAN
A:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
82
PsiBlast_CBE
90.91
43%
-136
- C1 -
2QX6
5
NQO2_HUMAN
A:
[4-220]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
36
PsiBlast_CBE
90.88
43%
-135
- C1 -
3G5M
5
NQO2_HUMAN
B:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
38
PsiBlast_CBE
90.84
43%
-136
- C1 -
1ZX1
5
NQO2_HUMAN
B:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
67
PsiBlast_CBE
90.76
43%
-136
- C1 -
3NHL
5
NQO2_HUMAN
B:
[4-220]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
21
PsiBlast_CBE
90.75
43%
-137
- C1 -
3O73
5
NQO2_HUMAN
B:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
14
PsiBlast_PDB
90.72
43%
-137
- C1 -
4QOF
3
NQO2_HUMAN
A:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
15
PsiBlast_PDB
90.71
43%
-136
- C1 -
4QOG
5
NQO2_HUMAN
A:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
53
PsiBlast_CBE
90.64
43%
-134
- C1 -
3O2N
6
NQO2_HUMAN
B:
[4-220]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
61
PsiBlast_CBE
90.57
43%
-137
- C1 -
3NHS
5
NQO2_HUMAN
B:
[4-220]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
51
PsiBlast_CBE
90.47
43%
-136
- C1 -
3UXE
6
NQO2_HUMAN
B:
[4-220]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
97
PsiBlast_CBE
90.33
43%
-134
- C1 -
4FGK
5
NQO2_HUMAN
B:
[7-223]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
55
PsiBlast_CBE
90.33
43%
-134
- C1 -
3NHY
5
NQO2_HUMAN
B:
[4-220]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
13
PsiBlast_PDB
90.17
43%
-135
- C1 -
4QOE
4
NQO2_HUMAN
A:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
84
PsiBlast_CBE
90.08
43%
-137
- C1 -
2QX4
5
NQO2_HUMAN
A:
[4-220]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
22
PsiBlast_CBE
90.01
43%
-135
- C1 -
4QOJ
5
?
B:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
27
PsiBlast_CBE
89.76
43%
-135
- C1 -
4QOE
4
NQO2_HUMAN
B:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
18
PsiBlast_PDB
89.59
43%
-134
- C1 -
4QOJ
5
?
A:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
26
PsiBlast_CBE
89.43
43%
-138
- C1 -
4QOF
3
NQO2_HUMAN
B:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
12
PsiBlast_PDB
89.37
43%
-135
- C1 -
4QOD
6
NQO2_HUMAN
A:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
87
PsiBlast_CBE
89.30
43%
-136
- C1 -
2QMZ
5
NQO2_HUMAN
A:
[4-220]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
23
PsiBlast_CBE
88.99
43%
-136
- C1 -
4QOI
5
NQO2_HUMAN
B:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
41
PsiBlast_CBE
88.71
43%
-135
- C1 -
3TZB
5
NQO2_HUMAN
B:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
28
PsiBlast_CBE
88.66
43%
-135
- C1 -
4QOD
6
NQO2_HUMAN
B:
[5-221]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
86
PsiBlast_CBE
87.26
43%
-135
- C1 -
2QMZ
5
NQO2_HUMAN
B:
[4-220]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------
56
PsiBlast_CBE
85.94
43%
-133
- C1 -
3NHY
5
NQO2_HUMAN
A:
[4-220]
---
K
V
L
I
V
Y
A
H
Q
E
P
K
S
F
N
G
S
L
K
N
V
A
V
D
E
L
S
R
Q
G
C
T
V
T
V
S
D
L
Y
A
M
N
F
E
P
R
A
T
D
K
D
I
T
G
T
L
S
N
-
P
E
V
F
N
Y
G
V
E
T
H
E
A
Y
K
Q
R
S
L
A
S
D
I
T
D
E
Q
K
K
V
R
E
A
D
L
V
I
F
Q
F
P
L
Y
W
F
S
V
P
A
I
L
K
G
W
M
D
R
V
L
C
Q
G
F
A
F
D
I
P
G
F
Y
D
S
G
L
L
Q
G
K
L
A
L
L
S
V
T
T
G
G
T
A
E
M
Y
T
K
T
G
V
N
G
D
S
R
Y
F
L
W
P
L
Q
H
G
T
L
H
F
C
G
F
K
V
L
A
P
Q
I
S
F
A
P
E
I
A
S
E
E
E
R
K
G
M
V
A
A
W
S
Q
R
L
Q
T
I
W
K
E
E
P
I
-----------------------------------------------------