@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 : I3U5C1: (2017-12-29 )
MGERMELIEKAPAKINLGLDVLYRRQDGYHELEMVMSSVNLADHLFFEEITEDKIIVETNKAFLPVDERNNVYQAALLLKNKYNIKTGVKIFVKKNIPVAAGLGGGSTDCAAALRGINQLWNLGCSLEELAEIGLEVGTDVPYCVYGSTAFVGGKGEEIQVLPSMPQCWVVLVKPRMSVSTRTVFREVDTQAIQHQDIHGLAEAIREQDYQQMIKKMGNSLEDITGKRHPVIHQIKERMIKYGADAALMSGSGPTVFALCQHYSRAQRVYNGLKGFCEEVYLVRTLQ
Atome Classification :
(21 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.......260.......270..--.....280.....
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MG
E
R
M
E
L
I
E
KAP
A
K
I
N
LG
L
D
V
L
Y
RRQDG
Y
H
E
L
E
M
V
M
S
SV
N
L
A
D
H
L
F
F
E
E
ITE
D
K
I
-
I
V
ETN
K
A
F
L
PVDERN
N
V
Y
Q
A
A
L
L
LKNKYNIKT
G
V
K
I
F
V
KKNI
P
V
A
AGLGGG
S
T
D
C
A
A
A
L
R
G
I
N
Q
L
W
NLGC
S
L
E
E
L
A
E
I
G
L
EVGTDV
P
Y
C
V
YGS
T
A
F
VGGKG
E
E
I
Q
VLPSMP
Q
C
W
V
V
L
VKPRMSV
S
T
R
T
V
F
R
EV
D
T
Q
A
I
Q
H
Q
D
I
H
G
L
A
E
------
A
I
R
E
Q
D
Y
Q
Q
M
I
----
K
K
MGN
S
L
E
D
ITGKR
H
P
V
I
H
Q
I
K
E
R
M
I
KYGAD
A
A
LMSGSG
P
T
V
F
A
L
C
Q
H
Y
S
R
A
Q
R
V
Y
N
G
L
K
--
G
F
C
E
E
V
Y
L
V
RTLQ
50
Fugue
90.86
32%
-104
- C1 -
-
1UEK
-
ISPE_THET8
A:
[1-268]
------
M
E
R
L
A
P
A
K
V
N
L
G
L
S
V
R
F
R
R
E
D
G
Y
H
E
L
H
T
L
F
A
P
F
S
L
A
D
R
L
V
V
E
P
V
S
S
G
L
H
-
F
Q
G
------
P
Y
G
R
E
N
L
A
Y
R
A
A
S
L
Y
L
E
A
A
G
Q
P
G
G
V
R
I
L
L
E
K
R
I
P
E
G
A
G
L
G
G
G
S
S
D
A
A
Q
V
L
L
A
L
Q
A
L
Y
P
A
E
V
---
D
L
F
A
L
A
R
T
L
G
A
D
V
P
F
F
L
L
G
R
G
A
E
A
R
G
V
G
E
R
L
K
P
L
A
-
L
P
P
V
P
A
V
V
F
F
P
G
L
R
V
P
T
P
L
V
Y
R
A
V
R
P
E
D
F
G
P
---
D
L
P
V
E
------
A
I
L
E
A
L
A
R
G
E
E
----
P
P
Y
W
N
S
L
E
G
P
A
F
R
L
F
P
E
L
K
E
V
R
G
R
M
R
A
L
G
L
R
G
V
L
M
S
G
S
G
S
A
F
F
G
L
A
E
G
P
D
H
A
R
R
A
A
E
A
L
R
--
A
W
G
R
A
W
A
G
T
L
G
G
G
8
PsiBlast_PDB
84.39
34%
-106
- C1 -
-
1UEK
-
ISPE_THET8
A:
[5-242]
----------
A
P
A
K
V
N
L
G
L
S
V
R
F
R
R
E
D
G
Y
H
E
L
H
T
L
F
A
P
F
S
L
A
D
R
L
V
V
E
P
V
S
S
G
L
H
-
F
Q
G
------
P
Y
G
R
E
N
L
A
Y
R
A
A
S
L
Y
L
E
A
A
G
Q
P
G
G
V
R
I
L
L
E
K
R
I
P
E
G
A
G
L
G
G
G
S
S
D
A
A
Q
V
L
L
A
L
Q
A
L
Y
P
A
E
V
D
L
F
A
L
A
R
T
---
L
G
A
D
V
P
F
F
L
L
G
R
G
A
E
A
R
G
V
G
E
R
L
K
P
L
-
A
L
P
P
V
P
A
V
V
F
F
P
G
L
R
V
P
T
P
L
V
Y
R
A
V
R
P
E
D
F
G
-
P
D
L
P
--
V
E
------
A
I
L
E
A
L
A
R
G
E
E
----
P
P
Y
W
N
S
L
E
G
P
A
F
R
L
F
P
E
L
K
E
V
R
G
R
M
R
A
L
G
L
R
G
V
L
M
S
G
S
G
S
A
F
F
G
L
A
E
----------------------------
7
PsiBlast_PDB
82.75
33%
-45
- C1 -
-
3PYG
1
ISPE_MYCTU
A:
[9-287]
---------
R
V
P
G
K
V
N
L
Y
L
A
V
G
D
R
R
E
D
G
Y
H
E
L
T
T
V
F
H
A
V
S
L
V
D
E
V
T
V
R
N
A
D
V
L
S
L
E
L
V
G
E
G
A
D
Q
L
P
T
D
E
R
N
L
A
W
Q
A
A
E
L
M
A
E
H
V
G
R
A
P
D
V
S
I
M
I
D
K
S
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
S
L
W
E
L
N
V
P
R
R
D
L
R
M
L
A
A
R
L
G
S
D
V
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
E
L
A
T
V
L
S
R
N
T
F
H
W
V
L
A
F
A
D
S
G
L
L
T
S
A
V
Y
N
E
L
D
-
R
L
R
E
V
G
D
P
P
R
L
G
E
P
G
P
V
L
A
A
L
A
A
G
D
P
D
Q
L
A
----
P
L
L
G
N
E
M
Q
A
A
A
V
S
L
D
P
A
L
A
R
A
L
R
A
G
V
E
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
S
S
A
I
D
V
G
A
Q
L
S
G
A
G
V
C
R
T
V
-------
5
PsiBlast_PDB
82.65
33%
-46
- C1 -
-
3PYE
1
ISPE_MYCTU
A:
[9-287]
---------
R
V
P
G
K
V
N
L
Y
L
A
V
G
D
R
R
E
D
G
Y
H
E
L
T
T
V
F
H
A
V
S
L
V
D
E
V
T
V
R
N
A
D
V
L
S
L
E
L
V
G
E
G
A
D
Q
L
P
T
D
E
R
N
L
A
W
Q
A
A
E
L
M
A
E
H
V
G
R
A
P
D
V
S
I
M
I
D
K
S
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
S
L
W
E
L
N
V
P
R
R
D
L
R
M
L
A
A
R
L
G
S
D
V
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
E
L
A
T
V
L
S
R
N
T
F
H
W
V
L
A
F
A
D
S
G
L
L
T
S
A
V
Y
N
E
L
D
-
R
L
R
E
V
G
D
P
P
R
L
G
E
P
G
P
V
L
A
A
L
A
A
G
D
P
D
Q
L
A
----
P
L
L
G
N
E
M
Q
A
A
A
V
S
L
D
P
A
L
A
R
A
L
R
A
G
V
E
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
S
S
A
I
D
V
G
A
Q
L
S
G
A
G
V
C
R
T
V
-------
4
PsiBlast_PDB
82.29
33%
-42
- C1 -
-
3PYD
1
ISPE_MYCTU
A:
[9-287]
---------
R
V
P
G
K
V
N
L
Y
L
A
V
G
D
R
R
E
D
G
Y
H
E
L
T
T
V
F
H
A
V
S
L
V
D
E
V
T
V
R
N
A
D
V
L
S
L
E
L
V
G
E
G
A
D
Q
L
P
T
D
E
R
N
L
A
W
Q
A
A
E
L
M
A
E
H
V
G
R
A
P
D
V
S
I
M
I
D
K
S
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
S
L
W
E
L
N
V
P
R
R
D
L
R
M
L
A
A
R
L
G
S
D
V
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
E
L
A
T
V
L
S
R
N
T
F
H
W
V
L
A
F
A
D
S
G
L
L
T
S
A
V
Y
N
E
L
D
-
R
L
R
E
V
G
D
P
P
R
L
G
E
P
G
P
V
L
A
A
L
A
A
G
D
P
D
Q
L
A
----
P
L
L
G
N
E
M
Q
A
A
A
V
S
L
D
P
A
L
A
R
A
L
R
A
G
V
E
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
S
S
A
I
D
V
G
A
Q
L
S
G
A
G
V
C
R
T
V
-------
6
PsiBlast_PDB
80.73
33%
-43
- C1 -
-
3PYF
1
ISPE_MYCTU
A:
[9-287]
---------
R
V
P
G
K
V
N
L
Y
L
A
V
G
D
R
R
E
D
G
Y
H
E
L
T
T
V
F
H
A
V
S
L
V
D
E
V
T
V
R
N
A
D
V
L
S
L
E
L
V
G
E
G
A
D
Q
L
P
T
D
E
R
N
L
A
W
Q
A
A
E
L
M
A
E
H
V
G
R
A
P
D
V
S
I
M
I
D
K
S
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
S
L
W
E
L
N
V
P
R
R
D
L
R
M
L
A
A
R
L
G
S
D
V
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
E
L
A
T
V
L
S
R
N
T
F
H
W
V
L
A
F
A
D
S
G
L
L
T
S
A
V
Y
N
E
L
D
-
R
L
R
E
V
G
D
P
P
R
L
G
E
P
G
P
V
L
A
A
L
A
A
G
D
P
D
Q
L
A
----
P
L
L
G
N
E
M
Q
A
A
A
V
S
L
D
P
A
L
A
R
A
L
R
A
G
V
E
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
S
S
A
I
D
V
G
A
Q
L
S
G
A
G
V
C
R
T
V
-------
3
PsiBlast_PDB
80.08
33%
-28
- C1 -
-
4EMD
1
?
A:
[21-292]
---------
R
A
P
G
K
V
N
L
Y
L
A
V
G
D
L
R
D
D
G
Y
H
E
L
T
T
V
F
H
A
V
S
L
A
D
D
V
T
V
R
D
A
D
V
L
S
I
D
V
V
G
Q
G
E
G
T
V
P
T
D
E
R
N
L
A
W
Q
A
A
E
L
F
A
D
H
V
G
R
A
P
D
V
S
I
F
I
N
K
D
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
E
L
W
H
A
G
V
P
R
R
D
L
H
H
L
A
A
Q
L
G
S
D
V
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
Q
L
A
T
V
L
A
R
N
V
F
H
W
V
F
A
F
A
D
G
G
L
A
T
P
Q
V
F
K
E
I
D
-
R
L
R
E
N
G
D
P
P
R
L
A
E
A
D
E
L
L
G
A
L
A
A
G
D
A
R
R
L
A
----
P
L
L
G
N
E
L
Q
A
A
A
V
S
L
N
P
E
L
R
R
T
L
R
A
G
E
S
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
D
D
A
V
Q
V
S
A
E
L
A
--
G
------------
1
PsiBlast_PDB
78.54
33%
-27
- C1 -
-
4DXL
2
?
A:
[21-292]
---------
R
A
P
G
K
V
N
L
Y
L
A
V
G
D
L
R
D
D
G
Y
H
E
L
T
T
V
F
H
A
V
S
L
A
D
D
V
T
V
R
D
A
D
V
L
S
I
D
V
V
G
Q
G
E
G
T
V
P
T
D
E
R
N
L
A
W
Q
A
A
E
L
F
A
D
H
V
G
R
A
P
D
V
S
I
F
I
N
K
D
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
E
L
W
H
A
G
V
P
R
R
D
L
H
H
L
A
A
Q
L
G
S
D
V
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
Q
L
A
T
V
L
A
R
N
V
F
H
W
V
F
A
F
A
D
G
G
L
A
T
P
Q
V
F
K
E
I
D
-
R
L
R
E
N
G
D
P
P
R
L
A
E
A
D
E
L
L
G
A
L
A
A
G
D
A
R
R
L
A
----
P
L
L
G
N
E
L
Q
A
A
A
V
S
L
N
P
E
L
R
R
T
L
R
A
G
E
S
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
D
D
A
V
Q
V
S
A
E
L
A
--
G
------------
2
PsiBlast_PDB
77.32
33%
-27
- C1 -
-
4ED4
1
?
A:
[21-292]
---------
R
A
P
G
K
V
N
L
Y
L
A
V
G
D
L
----
Y
H
E
L
T
T
V
F
H
A
V
S
L
A
D
D
V
T
V
R
D
A
D
V
L
S
I
D
V
V
G
Q
G
E
G
T
V
P
T
D
E
R
N
L
A
W
Q
A
A
E
L
F
A
D
H
V
G
R
A
P
D
V
S
I
F
I
N
K
D
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
E
L
W
H
A
G
V
P
R
R
D
L
H
H
L
A
A
Q
L
G
S
D
V
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
Q
L
A
T
V
L
A
R
N
V
F
H
W
V
F
A
F
A
D
G
G
L
A
T
P
Q
V
F
K
E
I
D
-
R
L
R
E
N
G
D
P
P
R
L
A
E
A
D
E
L
L
G
A
L
A
A
G
D
A
R
R
L
A
----
P
L
L
G
N
E
L
Q
A
A
A
V
S
L
N
P
E
L
R
R
T
L
R
A
G
E
S
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
D
D
A
V
Q
V
S
A
E
L
A
--
G
------------
12
PsiBlast_PDB
74.78
33%
-75
- C1 -
-
2V34
1
ISPE_AQUAE
A:
[9-246]
----------
S
P
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
E
I
P
F
Y
D
E
I
Y
---
I
R
E
G
V
L
-
R
V
E
T
N
I
G
-
I
P
-
Q
E
E
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
V
L
E
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
R
E
E
-------
H
F
V
T
P
------
E
Y
A
E
E
K
I
Q
R
I
I
S
GEV
E
E
I
E
N
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
--------------------------------
14
PsiBlast_PDB
74.07
33%
-73
- C1 -
-
2VF3
2
ISPE_AQUAE
A:
[9-246]
----------
S
P
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
E
I
P
F
Y
D
E
I
Y
---
I
R
E
G
V
L
-
R
V
E
T
N
I
G
-
I
P
-
Q
E
E
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
V
L
E
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
R
E
E
-------
H
F
V
T
P
------
E
Y
A
E
E
K
I
Q
R
I
I
S
GEV
E
E
I
E
N
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
--------------------------------
10
PsiBlast_PDB
73.97
33%
-75
- C1 -
-
2V2V
2
ISPE_AQUAE
A:
[9-246]
----------
S
P
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
E
I
P
F
Y
D
E
I
Y
---
I
R
E
G
V
L
-
R
V
E
T
N
I
G
-
I
P
-
Q
E
E
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
V
L
E
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
R
E
E
-------
H
F
V
T
P
------
E
Y
A
E
E
K
I
Q
R
I
I
S
GEV
E
E
I
E
N
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
--------------------------------
9
PsiBlast_PDB
73.86
33%
-76
- C1 -
-
2V2Q
2
ISPE_AQUAE
A:
[9-246]
----------
S
P
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
E
I
P
F
Y
D
E
I
Y
---
I
R
E
G
V
L
-
R
V
E
T
N
I
G
-
I
P
-
Q
E
E
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
V
L
E
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
R
E
E
-------
H
F
V
T
P
------
E
Y
A
E
E
K
I
Q
R
I
I
S
GEV
E
E
I
E
N
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
--------------------------------
22
PsiBlast_CBE
73.49
33%
-75
- C1 -
-
2V8P
2
ISPE_AQUAE
B:
[9-246]
----------
S
P
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
E
I
P
F
Y
D
E
I
Y
---
I
R
E
G
V
L
-
R
V
E
T
N
I
G
-
I
P
-
Q
E
E
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
V
L
E
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
R
E
E
-------
H
F
V
T
P
------
E
Y
A
E
E
K
I
Q
R
I
I
SGEV
E
E
I
E
N
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
--------------------------------
23
PsiBlast_CBE
73.44
33%
-75
- C1 -
-
2V34
2
ISPE_AQUAE
B:
[9-246]
----------
S
P
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
E
I
P
F
Y
D
E
I
Y
---
I
R
E
G
V
L
-
R
V
E
T
N
I
G
-
I
P
-
Q
E
E
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
V
L
E
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
R
E
E
-------
H
F
V
T
P
------
E
Y
A
E
E
K
I
Q
R
I
I
S
GEV
E
E
I
E
N
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
--------------------------------
25
PsiBlast_CBE
73.38
33%
-74
- C1 -
-
2V2V
3
ISPE_AQUAE
B:
[9-246]
----------
S
P
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
E
I
P
F
Y
D
E
I
Y
---
I
R
E
G
V
L
-
R
V
E
T
N
I
G
-
I
P
-
Q
E
E
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
V
L
E
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
R
E
E
-------
H
F
V
T
P
------
E
Y
A
E
E
K
I
Q
R
I
I
SGEV
E
E
I
E
N
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
--------------------------------
21
PsiBlast_CBE
73.37
33%
-75
- C1 -
-
2VF3
2
ISPE_AQUAE
B:
[9-246]
----------
S
P
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
E
I
P
F
Y
D
E
I
Y
---
I
R
E
G
V
L
-
R
V
E
T
N
I
G
-
I
P
-
Q
E
E
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
V
L
E
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
R
E
E
-------
H
F
V
T
P
------
E
Y
A
E
E
K
I
Q
R
I
I
S
GEV
E
E
I
E
N
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
--------------------------------
26
PsiBlast_CBE
73.35
33%
-73
- C1 -
-
2V2Q
2
ISPE_AQUAE
B:
[9-246]
----------
S
P
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
E
I
P
F
Y
D
E
I
Y
---
I
R
E
G
V
L
-
R
V
E
T
N
I
G
-
I
P
-
Q
E
E
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
V
L
E
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
R
E
E
-------
H
F
V
T
P
------
E
Y
A
E
E
K
I
Q
R
I
I
S
GEV
E
E
I
E
N
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
--------------------------------
11
PsiBlast_PDB
72.86
33%
-76
- C1 -
-
2V2Z
2
ISPE_AQUAE
A:
[9-246]
----------
S
P
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
E
I
P
F
Y
D
E
I
Y
---
I
R
E
G
V
L
-
R
V
E
T
N
I
G
-
I
P
-
Q
E
E
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
V
L
E
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
R
E
E
-------
H
F
V
T
P
------
E
Y
A
E
E
K
I
Q
R
I
I
S
GEV
E
E
I
E
N
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
--------------------------------
24
PsiBlast_CBE
72.64
33%
-72
- C1 -
-
2V2Z
2
ISPE_AQUAE
B:
[9-246]
----------
S
P
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
E
I
P
F
Y
D
E
I
Y
---
I
R
E
G
V
L
-
R
V
E
T
N
I
G
-
I
P
-
Q
E
E
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
V
L
E
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
R
E
E
-------
H
F
V
T
P
------
E
Y
A
E
E
K
I
Q
R
I
I
S
GEV
E
E
I
E
N
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
--------------------------------
13
PsiBlast_PDB
72.37
33%
-70
- C1 -
-
2V8P
2
ISPE_AQUAE
A:
[9-246]
----------
S
P
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
E
I
P
F
Y
D
E
I
Y
---
I
R
E
G
V
L
-
R
V
E
T
N
I
G
-
I
P
-
Q
E
E
N
L
V
Y
K
G
L
R
E
F
E
R
I
T
G
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
V
L
E
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
R
E
E
-------
H
F
V
T
P
------
E
Y
A
E
E
K
I
Q
R
I
I
S
GEV
E
E
I
E
N
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
--------------------------------