@TOME V2.3
(Mar 2018)
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 : B0VL30: (2017-10-31 )
MQRIAINGFGRIGRNVLRAWFESPKQFHFEIVAINDIADVNTLVHLFKYDSTHGRFNGKVDITIENEKIYLNIQSNQRLLKVEVLQQKQPELLPWASLKIDVVLECTGLFRSHADATRHLEAGAKRVIIGAAPFDHVDAAIVYGVNHADVKATDQIISSVSCTTQALVPLVKIIDDAFGIETALMTEIHAVTADQSVLDHAHRDLRRARASGQNIIPTTSSALGALKRVMPKMENRIDGYSIRVPTINVAAIDLTFIAQSPITVHHINELLIKASQTDYAEIMAVTDEPLVSSDFNHSPYSLIVDSTQTMVVGHQAKVFAWYDNEWGYANRLLDLCDSF
Atome Classification :
(32 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.......290-.......300.......310--.-..-....320.......330.......---
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
M
Q
R
I
A
IN
G
F
G
R
I
G
R
N
V
L
R
A
W
FESP
K
-
Q
F
H
F
E
I
V
A
IND-IA
D
V
N
T
L
V
H
L
FKYDSTHGRFN
G
K
-
V
D
I
T
I
EN
E
K
I
Y
L
N
--IQSN
Q
R
L
L
K
V
E
V
L
Q
QKQPELLPW
A
S
L
K
I
D
V
V
L
E
C
T
G
L
F
R
SHA
D
A
T
R
H
L
EAGA
K
R
V
I
I
GAAPFDHV
D
A
A
I
V
YGVNHA
D
V
-
K
A
T
-
D
-
Q
I
I
S
S
VS
C
T
T
Q
A
L
V
P
L
V
K
I
I
D
D
A
FG
I
E
T
A
L
M
T
E
I
HAVTA
D
Q
S
V
L
D
H
A
H
R
D
L
R
R
A
-RASGQNIIPT
T
S
S
A
L
G
A
L
K
R
V
M
P
K
M
ENRID
G
Y
S
I
RV
P
T
I
N
V
A
A
I
D
L
T
F
IA-QS-PI
T
V
H
H
I
N
E
L
L
I
KAS-Q-------TD
Y
A
E
I
M
AVTDEPLVS-SDFNHS
P
Y
S
L
I
VDST
Q
T
M
V
V
--G-H
Q
-
A
K
V
F
A
W
YDNEW
G
Y
A
N
R
L
L
D
L
CDSF---
118
PsiBlast_CBE
93.52
44%
0
- C- -
-
2D2I
1
?
A:
[4-331]
--
R
V
A
I
N
G
F
G
R
I
G
R
N
F
L
R
C
W
F
-
G
R
Q
-
N
T
D
L
E
V
V
A
I
N
N
-
T
S
D
A
R
T
A
A
H
L
L
E
Y
D
S
V
L
G
R
F
N
---
A
D
I
S
Y
D
E
N
S
I
T
V
N
--
G
K
T
------
M
K
I
V
C
D
R
N
P
L
N
L
P
W
K
E
W
D
I
D
L
V
I
E
S
T
G
V
F
V
T
A
E
G
A
S
K
H
I
Q
A
G
A
K
K
V
L
I
T
A
P
G
K
A
E
G
V
G
T
Y
V
I
G
V
N
D
S
E
Y
-
R
H
E
-
D
F
A
V
I
S
N
A
S
C
T
T
N
C
L
A
P
V
A
K
V
L
H
D
N
F
G
I
I
K
G
T
M
T
T
T
H
S
Y
T
L
D
Q
R
I
L
D
A
S
H
R
D
L
R
R
A
-
R
A
A
A
V
N
I
V
P
T
T
T
G
A
A
K
A
V
A
L
V
I
P
E
L
K
G
K
L
N
G
I
A
L
R
V
P
T
P
N
V
S
V
V
D
L
V
V
Q
V
-
E
K
-
P
T
I
T
E
Q
V
N
E
V
L
Q
K
A
S
-
Q
-------
T
T
M
K
G
I
I
K
Y
S
D
L
P
L
V
S
-
S
D
F
R
G
T
D
E
S
S
I
V
D
S
S
L
T
L
V
M
D-
G
-
D
L
-
V
K
V
I
A
W
Y
D
N
E
W
G
Y
S
Q
R
V
V
D
L
A
E
-----
116
PsiBlast_CBE
93.52
44%
0
- C- -
-
2D2I
5
?
O:
[4-331]
--
R
V
A
I
N
G
F
G
R
I
G
R
N
F
L
R
C
W
F
-
G
R
Q
-
N
T
D
L
E
V
V
A
I
N
N
-
T
S
D
A
R
T
A
A
H
L
L
E
Y
D
S
V
L
G
R
F
N
---
A
D
I
S
Y
D
E
N
S
I
T
V
N
--
G
K
T
------
M
K
I
V
C
D
R
N
P
L
N
L
P
W
K
E
W
D
I
D
L
V
I
E
S
T
G
V
F
V
T
A
E
G
A
S
K
H
I
Q
A
G
A
K
K
V
L
I
T
A
P
G
K
A
E
G
V
G
T
Y
V
I
G
V
N
D
S
E
Y
-
R
H
E
-
D
F
A
V
I
S
N
A
S
C
T
T
N
C
L
A
P
V
A
K
V
L
H
D
N
F
G
I
I
K
G
T
M
T
T
T
H
S
Y
T
L
D
Q
R
I
L
D
A
S
H
R
D
L
R
R
A
-
R
A
A
A
V
N
I
V
P
T
T
T
G
A
A
K
A
V
A
L
V
I
P
E
L
K
G
K
L
N
G
I
A
L
R
V
P
T
P
N
V
S
V
V
D
L
V
V
Q
V
-
E
K
-
P
T
I
T
E
Q
V
N
E
V
L
Q
K
A
S
-
Q
-------
T
T
M
K
G
I
I
K
Y
S
D
L
P
L
V
S
-
S
D
F
R
G
T
D
E
S
S
I
V
D
S
S
L
T
L
V
M
D-
G
-
D
L
-
V
K
V
I
A
W
Y
D
N
E
W
G
Y
S
Q
R
V
V
D
L
A
E
-----
113
PsiBlast_CBE
93.52
44%
0
- C- -
-
2D2I
5
?
R:
[4-331]
--
R
V
A
I
N
G
F
G
R
I
G
R
N
F
L
R
C
W
F
-
G
R
Q
-
N
T
D
L
E
V
V
A
I
N
N
-
T
S
D
A
R
T
A
A
H
L
L
E
Y
D
S
V
L
G
R
F
N
---
A
D
I
S
Y
D
E
N
S
I
T
V
N
--
G
K
T
------
M
K
I
V
C
D
R
N
P
L
N
L
P
W
K
E
W
D
I
D
L
V
I
E
S
T
G
V
F
V
T
A
E
G
A
S
K
H
I
Q
A
G
A
K
K
V
L
I
T
A
P
G
K
A
E
G
V
G
T
Y
V
I
G
V
N
D
S
E
Y
-
R
H
E
-
D
F
A
V
I
S
N
A
S
C
T
T
N
C
L
A
P
V
A
K
V
L
H
D
N
F
G
I
I
K
G
T
M
T
T
T
H
S
Y
T
L
D
Q
R
I
L
D
A
S
H
R
D
L
R
R
A
-
R
A
A
A
V
N
I
V
P
T
T
T
G
A
A
K
A
V
A
L
V
I
P
E
L
K
G
K
L
N
G
I
A
L
R
V
P
T
P
N
V
S
V
V
D
L
V
V
Q
V
-
E
K
-
P
T
I
T
E
Q
V
N
E
V
L
Q
K
A
S
-
Q
-------
T
T
M
K
G
I
I
K
Y
S
D
L
P
L
V
S
-
S
D
F
R
G
T
D
E
S
S
I
V
D
S
S
L
T
L
V
M
D-
G
-
D
L
-
V
K
V
I
A
W
Y
D
N
E
W
G
Y
S
Q
R
V
V
D
L
A
E
-----
135
HHSearch
90.98
45%
-122
- C4 -
-
2X5J
-
E4PD_ECOLI
R:
[2-333]
T
V
R
V
A
I
N
G
F
G
R
I
G
R
N
V
V
R
A
L
Y
E
S
G
R
-
R
A
E
I
T
V
V
A
I
N
E
-
L
A
D
A
A
G
M
A
H
L
L
K
Y
D
T
S
H
G
R
F
A
W
E
-
V
R
Q
--
E
R
D
Q
L
F
V
G
--
D
------
D
A
I
R
V
L
H
E
R
S
L
Q
S
L
P
W
R
E
L
G
V
D
V
V
L
D
C
T
G
V
Y
G
S
R
E
H
G
E
A
H
I
A
A
G
A
K
K
V
L
F
S
H
P
G
S
N
D
L
D
A
T
V
V
Y
G
V
N
Q
D
Q
L
-
R
A
E
-
H
-
R
I
V
S
N
A
S
C
T
T
N
C
I
I
P
V
I
K
L
L
D
D
A
Y
G
I
E
S
G
T
V
T
T
I
H
S
A
M
-------
A
Y
H
P
D
L
R
R
T
-
R
A
A
S
Q
S
I
I
P
V
D
T
K
L
A
A
G
I
T
R
F
F
P
Q
F
N
D
R
F
E
A
I
A
V
R
V
P
T
I
N
V
T
A
I
D
L
S
V
T
V
-
K
K
-
P
V
K
A
N
E
V
N
L
L
L
Q
K
A
A
-
Q
-------
G
A
F
H
G
I
V
D
Y
T
E
L
P
L
V
S
-
V
D
F
N
H
D
P
H
S
A
I
V
D
G
T
Q
T
R
V
S
--
G
A
H
L
-
I
K
T
L
V
W
C
D
N
E
W
G
F
A
N
R
M
L
D
T
T
L
A
M
---
23
PsiBlast_CBE
89.20
48%
-109
- C4 -
-
3GNQ
2
?
F:
[12-335]
--
R
V
A
I
N
G
Y
G
R
I
G
R
N
T
L
R
A
F
Y
E
N
G
K
-
K
H
D
L
E
I
V
A
I
N
D
-
L
G
D
A
K
T
N
A
H
L
T
Q
Y
D
T
A
H
G
K
F
P
G
E
-
V
S
V
----
D
G
D
Y
L
V
--
V
N
G
D
----
R
I
R
V
L
A
N
R
N
P
A
E
L
P
W
G
E
L
G
V
D
V
V
M
E
C
T
G
F
F
T
S
K
E
K
A
S
A
H
L
K
G
G
A
K
K
V
I
I
S
A
P
G
G
K
D
V
D
A
T
I
V
Y
G
V
N
H
D
V
L
-
K
A
E
-
H
-
T
V
I
S
N
A
S
C
T
T
N
C
L
A
P
L
V
K
P
L
N
D
K
I
G
L
E
T
G
L
M
T
T
I
H
A
Y
T
N
D
Q
V
L
T
D
V
Y
H
E
D
L
R
R
A
-
R
S
A
T
H
S
Q
I
P
T
K
T
G
A
A
A
A
V
G
L
V
L
P
E
L
N
G
K
L
D
G
Y
A
I
R
V
P
T
I
N
V
S
I
V
D
L
S
F
I
A
-
K
R
-
D
T
T
A
A
E
V
N
A
I
M
K
E
A
S
-
E
-------
G
A
L
K
G
I
L
G
Y
N
E
A
P
L
V
S
-
I
D
F
N
H
N
P
A
S
S
T
F
D
A
T
L
T
K
V
S
--
G
-
R
L
-
V
K
V
S
S
W
Y
D
N
E
W
G
F
S
N
R
M
L
D
--------
22
PsiBlast_CBE
89.19
48%
-110
- C4 -
-
3GNQ
2
?
G:
[12-335]
--
R
V
A
I
N
G
Y
G
R
I
G
R
N
T
L
R
A
F
Y
E
N
G
K
-
K
H
D
L
E
I
V
A
I
N
D
-
L
G
D
A
K
T
N
A
H
L
T
Q
Y
D
T
A
H
G
K
F
P
G
E
-
V
S
V
----
D
G
D
Y
L
V
--
V
N
G
D
----
R
I
R
V
L
A
N
R
N
P
A
E
L
P
W
G
E
L
G
V
D
V
V
M
E
C
T
G
F
F
T
S
K
E
K
A
S
A
H
L
K
G
G
A
K
K
V
I
I
S
A
P
G
G
K
D
V
D
A
T
I
V
Y
G
V
N
H
D
V
L
-
K
A
E
-
H
-
T
V
I
S
N
A
S
C
T
T
N
C
L
A
P
L
V
K
P
L
N
D
K
I
G
L
E
T
G
L
M
T
T
I
H
A
Y
T
N
D
Q
V
L
T
D
V
Y
H
E
D
L
R
R
A
-
R
S
A
T
H
S
Q
I
P
T
K
T
G
A
A
A
A
V
G
L
V
L
P
E
L
N
G
K
L
D
G
Y
A
I
R
V
P
T
I
N
V
S
I
V
D
L
S
F
I
A
-
K
R
-
D
T
T
A
A
E
V
N
A
I
M
K
E
A
S
-
E
-------
G
A
L
K
G
I
L
G
Y
N
E
A
P
L
V
S
-
I
D
F
N
H
N
P
A
S
S
T
F
D
A
T
L
T
K
V
S
--
G
-
R
L
-
V
K
V
S
S
W
Y
D
N
E
W
G
F
S
N
R
M
L
D
--------
136
HHSearch
88.65
44%
-113
- C4 -
-
2X5K
7
E4PD_ECOLI
P:
[2-333]
T
V
R
V
A
I
N
G
F
G
R
I
G
R
N
V
V
R
A
L
Y
E
S
G
R
-
R
A
E
I
T
V
V
A
I
N
E
-
L
A
D
A
A
G
M
A
H
L
L
K
Y
D
T
S
H
G
R
F
A
W
E
-
V
R
Q
--
E
R
D
Q
L
F
V
G
--
D
------
D
A
I
R
V
L
H
E
R
S
L
Q
S
L
P
W
R
E
L
G
V
D
V
V
L
D
C
T
G
V
Y
G
S
R
E
H
G
E
A
H
I
A
A
G
A
K
K
V
L
F
S
H
P
G
S
N
D
L
D
A
T
V
V
Y
G
V
N
Q
D
Q
L
-
R
A
E
-
H
-
R
I
V
S
N
A
S
A
T
T
N
S
I
I
P
V
I
K
L
L
D
D
A
Y
G
I
E
S
G
T
V
T
T
I
H
S
A
M
H
D
Q
Q
V
I
D
A
Y
H
P
D
L
R
R
T
-
R
A
A
S
Q
S
I
I
P
V
D
T
K
L
A
A
G
I
T
R
F
F
P
Q
F
N
D
R
F
E
A
I
A
V
R
V
P
T
I
N
V
T
A
I
D
L
S
V
T
V
-
K
K
-
P
V
K
A
N
E
V
N
L
L
L
Q
K
A
A
-
Q
-------
G
A
F
H
G
I
V
D
Y
T
E
L
P
L
V
S
-
V
D
F
N
H
D
P
H
S
A
I
V
D
G
T
Q
T
R
V
S
--
G
A
H
L
-
I
K
T
L
V
W
C
D
N
E
W
G
F
A
N
R
M
L
D
T
T
L
A
M
---
26
PsiBlast_CBE
88.34
48%
-108
- C4 -
-
3GNQ
2
?
C:
[12-335]
--
R
V
A
I
N
G
Y
G
R
I
G
R
N
T
L
R
A
F
Y
E
N
G
K
-
K
H
D
L
E
I
V
A
I
N
D
-
L
G
D
A
K
T
N
A
H
L
T
Q
Y
D
T
A
H
G
K
F
P
G
E
-
V
S
V
----
D
G
D
Y
L
V
--
V
N
G
D
----
R
I
R
V
L
A
N
R
N
P
A
E
L
P
W
G
E
L
G
V
D
V
V
M
E
C
T
G
F
F
T
S
K
E
K
A
S
A
H
L
K
G
G
A
K
K
V
I
I
S
A
P
G
G
K
D
V
D
A
T
I
V
Y
G
V
N
H
D
V
L
-
K
A
E
-
H
-
T
V
I
S
N
A
S
C
T
T
N
C
L
A
P
L
V
K
P
L
N
D
K
I
G
L
E
T
G
L
M
T
T
I
H
A
Y
T
N
D
Q
V
L
T
D
V
Y
H
E
D
L
R
R
A
-
R
S
A
T
H
S
Q
I
P
T
K
T
G
A
A
A
A
V
G
L
V
L
P
E
L
N
G
K
L
D
G
Y
A
I
R
V
P
T
I
N
V
S
I
V
D
L
S
F
I
A
-
K
R
-
D
T
T
A
A
E
V
N
A
I
M
K
E
A
S
-
E
-------
G
A
L
K
G
I
L
G
Y
N
E
A
P
L
V
S
-
I
D
F
N
H
N
P
A
S
S
T
F
D
A
T
L
T
K
V
S
--
G
-
R
L
-
V
K
V
S
S
W
Y
D
N
E
W
G
F
S
N
R
M
L
D
--------
144
HHSearch
88.28
46%
-84
- C4 -
-
4DIB
-
?
A:
[4-332]
M
T
R
V
A
I
N
G
F
G
R
I
G
R
M
V
F
R
Q
A
I
K
E
----
S
A
F
E
I
V
A
I
N
A
-
S
Y
P
S
E
T
L
A
H
L
I
K
Y
D
T
V
H
G
K
F
D
G
T
-
V
E
A
F
--
E
D
H
L
L
V
D
--
G
------
K
M
I
R
L
L
N
N
R
D
P
K
E
L
P
W
T
D
L
G
V
E
V
V
I
E
A
T
G
K
F
N
S
K
E
K
A
I
L
H
V
E
A
G
A
K
K
V
I
L
T
A
P
G
K
N
E
-
D
V
T
I
V
V
G
V
N
E
D
Q
L
-
D
I
T
K
H
-
T
V
I
S
N
A
S
C
T
T
N
C
L
A
P
V
V
K
V
L
D
E
Q
F
G
I
E
N
G
L
M
T
T
V
H
A
Y
-------------
L
R
R
A
-
R
A
C
G
Q
S
I
I
P
T
T
T
G
A
A
K
A
L
A
K
V
L
P
H
L
N
G
K
L
H
G
M
A
L
R
V
P
T
P
N
V
S
L
V
D
L
V
V
D
V
-
K
R
-
D
V
T
V
E
A
I
N
D
A
F
K
T
V
A
-
N
-------
G
A
L
K
G
I
V
E
F
S
E
E
P
L
V
S
-
I
D
F
N
T
N
T
H
S
A
I
I
D
G
L
S
T
M
V
M
--
G
D
R
K
-
V
K
V
L
A
W
Y
D
N
E
W
G
Y
S
R
R
V
V
D
L
V
T
L
V
---
1
PsiBlast_PDB
88.16
48%
-110
- C4 -
-
3GNQ
1
?
A:
[12-335]
--
R
V
A
I
N
G
Y
G
R
I
G
R
N
T
L
R
A
F
Y
E
N
G
K
-
K
H
D
L
E
I
V
A
I
N
D
-
L
G
D
A
K
T
N
A
H
L
T
Q
Y
D
T
A
H
G
K
F
P
G
E
-
V
S
V
----
D
G
D
Y
L
V
--
V
N
G
D
----
R
I
R
V
L
A
N
R
N
P
A
E
L
P
W
G
E
L
G
V
D
V
V
M
E
C
T
G
F
F
T
S
K
E
K
A
S
A
H
L
K
G
G
A
K
K
V
I
I
S
A
P
G
G
K
D
V
D
A
T
I
V
Y
G
V
N
H
D
V
L
-
K
A
E
-
H
-
T
V
I
S
N
A
S
C
T
T
N
C
L
A
P
L
V
K
P
L
N
D
K
I
G
L
E
T
G
L
M
T
T
I
H
A
Y
T
N
D
Q
V
L
T
D
V
Y
H
E
D
L
R
R
A
-
R
S
A
T
H
S
Q
I
P
T
K
T
G
A
A
A
A
V
G
L
V
L
P
E
L
N
G
K
L
D
G
Y
A
I
R
V
P
T
I
N
V
S
I
V
D
L
S
F
I
A
-
K
R
-
D
T
T
A
A
E
V
N
A
I
M
K
E
A
S
-
E
-------
G
A
L
K
G
I
L
G
Y
N
E
A
P
L
V
S
-
I
D
F
N
H
N
P
A
S
S
T
F
D
A
T
L
T
K
V
S
--
G
-
R
L
-
V
K
V
S
S
W
Y
D
N
E
W
G
F
S
N
R
M
L
D
--------
21
PsiBlast_CBE
87.62
48%
-106
- C4 -
-
3GNQ
2
?
H:
[12-335]
--
R
V
A
I
N
G
Y
G
R
I
G
R
N
T
L
R
A
F
Y
E
N
G
K
-
K
H
D
L
E
I
V
A
I
N
D
-
L
G
D
A
K
T
N
A
H
L
T
Q
Y
D
T
A
H
G
K
F
P
G
E
-
V
S
V
----
D
G
D
Y
L
V
--
V
N
G
D
----
R
I
R
V
L
A
N
R
N
P
A
E
L
P
W
G
E
L
G
V
D
V
V
M
E
C
T
G
F
F
T
S
K
E
K
A
S
A
H
L
K
G
G
A
K
K
V
I
I
S
A
P
G
G
K
D
V
D
A
T
I
V
Y
G
V
N
H
D
V
L
-
K
A
E
-
H
-
T
V
I
S
N
A
S
C
T
T
N
C
L
A
P
L
V
K
P
L
N
D
K
I
G
L
E
T
G
L
M
T
T
I
H
A
Y
T
N
D
Q
V
L
T
D
V
Y
H
E
D
L
R
R
A
-
R
S
A
T
H
S
Q
I
P
T
K
T
G
A
A
A
A
V
G
L
V
L
P
E
L
N
G
K
L
D
G
Y
A
I
R
V
P
T
I
N
V
S
I
V
D
L
S
F
I
A
-
K
R
-
D
T
T
A
A
E
V
N
A
I
M
K
E
A
S
-
E
-------
G
A
L
K
G
I
L
G
Y
N
E
A
P
L
V
S
-
I
D
F
N
H
N
P
A
S
S
T
F
D
A
T
L
T
K
V
S
--
G
-
R
L
-
V
K
V
S
S
W
Y
D
N
E
W
G
F
S
N
R
M
L
D
--------
87
PsiBlast_CBE
87.58
42%
-104
- C4 -
-
4BOY
1
?
B:
[18-347]
M
V
R
V
A
I
N
G
F
G
R
I
G
R
N
F
M
R
C
W
L
Q
R
K
A
-
N
S
K
L
E
I
V
G
I
N
D
-
T
S
D
P
R
T
N
A
H
L
L
K
Y
D
S
M
L
G
I
F
Q
-
D
-
A
E
I
T
A
D
D
D
C
I
Y
A
G
--
G
H
A
------
V
K
C
V
S
D
R
N
P
E
N
L
P
W
S
A
W
G
I
D
L
V
I
E
A
T
G
V
F
T
S
R
E
G
A
S
K
H
L
S
A
G
A
K
K
V
L
I
T
A
P
G
K
G
N
I
P
T
Y
V
V
-
G
V
N
H
H
T
Y
-
D
P
S
-
E
-
D
I
V
S
N
A
S
C
T
T
N
C
L
A
P
I
V
K
V
L
H
E
A
F
G
I
Q
Q
G
M
M
T
T
T
H
S
Y
T
G
D
Q
R
L
L
D
A
S
H
R
D
L
R
R
A
-
R
A
A
A
M
N
I
V
P
T
S
T
G
A
A
K
A
V
G
L
V
I
P
E
L
Q
G
K
L
N
G
I
A
L
R
V
P
T
P
N
V
S
V
V
D
F
V
A
Q
V
-
E
K
-
P
T
I
A
E
Q
V
N
Q
V
I
K
E
A
S
-
E
-------
T
T
M
K
G
I
I
H
Y
S
E
L
E
L
V
S
-
S
D
Y
R
G
H
N
A
S
S
I
L
D
A
S
L
T
M
V
L
--
G
-
G
N
L
V
K
V
V
A
W
Y
D
N
E
W
G
Y
S
Q
R
V
L
D
L
A
E
-----
27
PsiBlast_CBE
87.53
48%
-109
- C4 -
-
3GNQ
1
?
B:
[12-335]
--
R
V
A
I
N
G
Y
G
R
I
G
R
N
T
L
R
A
F
Y
E
N
G
K
-
K
H
D
L
E
I
V
A
I
N
D
-
L
G
D
A
K
T
N
A
H
L
T
Q
Y
D
T
A
H
G
K
F
P
G
E
-
V
S
V
----
D
G
D
Y
L
V
--
V
N
G
D
----
R
I
R
V
L
A
N
R
N
P
A
E
L
P
W
G
E
L
G
V
D
V
V
M
E
C
T
G
F
F
T
S
K
E
K
A
S
A
H
L
K
G
G
A
K
K
V
I
I
S
A
P
G
G
K
D
V
D
A
T
I
V
Y
G
V
N
H
D
V
L
-
K
A
E
-
H
-
T
V
I
S
N
A
S
C
T
T
N
C
L
A
P
L
V
K
P
L
N
D
K
I
G
L
E
T
G
L
M
T
T
I
H
A
Y
T
N
D
Q
V
L
T
D
V
Y
H
E
D
L
R
R
A
-
R
S
A
T
H
S
Q
I
P
T
K
T
G
A
A
A
A
V
G
L
V
L
P
E
L
N
G
K
L
D
G
Y
A
I
R
V
P
T
I
N
V
S
I
V
D
L
S
F
I
A
-
K
R
-
D
T
T
A
A
E
V
N
A
I
M
K
E
A
S
-
E
-------
G
A
L
K
G
I
L
G
Y
N
E
A
P
L
V
S
-
I
D
F
N
H
N
P
A
S
S
T
F
D
A
T
L
T
K
V
S
--
G
-
R
L
-
V
K
V
S
S
W
Y
D
N
E
W
G
F
S
N
R
M
L
D
--------
20
PsiBlast_PDB
87.40
42%
-102
- C4 -
-
3ZCX
1
?
A:
[18-347]
M
V
R
V
A
I
N
G
F
G
R
I
G
R
N
F
M
R
C
W
L
Q
R
K
A
-
N
S
K
L
E
I
V
G
I
N
D
-
T
S
D
P
R
T
N
A
H
L
L
K
Y
D
S
M
L
G
I
F
Q
-
D
-
A
E
I
T
A
D
D
D
C
I
Y
A
G
--
G
H
A
------
V
K
C
V
S
D
R
N
P
E
N
L
P
W
S
A
W
G
I
D
L
V
I
E
A
T
G
V
F
T
S
R
E
G
A
S
K
H
L
S
A
G
A
K
K
V
L
I
T
A
P
G
K
G
N
I
P
T
Y
V
V
-
G
V
N
H
H
T
Y
-
D
P
S
-
E
-
D
I
V
S
N
A
S
C
T
T
N
C
L
A
P
I
V
K
V
L
H
E
A
F
G
I
Q
Q
G
M
M
T
T
T
H
S
Y
T
G
D
Q
R
L
L
D
A
S
H
R
D
L
R
R
A
-
R
A
A
A
M
N
I
V
P
T
S
T
G
A
A
K
A
V
G
L
V
I
P
E
L
Q
G
K
L
N
G
I
A
L
R
V
P
T
P
N
V
S
V
V
D
F
V
A
Q
V
-
E
K
-
P
T
I
A
E
Q
V
N
Q
V
I
K
E
A
S
-
E
-------
T
T
M
K
G
I
I
H
Y
S
E
L
E
L
V
S
-
S
D
Y
R
G
H
N
A
S
S
I
L
D
A
S
L
T
M
V
L
--
G
-
G
N
L
V
K
V
V
A
W
Y
D
N
E
W
G
Y
S
Q
R
V
L
D
L
A
E
-----
2
PsiBlast_PDB
87.19
45%
-118
- C4 -
-
3L0D
1
?
A:
[25-352]
--
R
V
A
I
N
G
F
G
R
I
G
R
N
I
L
R
A
I
I
E
S
G
R
-
Q
-
D
I
E
V
V
A
L
N
D
-
L
G
S
V
E
T
N
A
H
L
L
R
Y
D
S
V
H
G
C
F
P
G
T
-
V
Q
V
V
G
D
A
I
D
I
-----
L
--------
I
K
V
F
A
E
R
D
P
A
Q
L
P
W
K
A
L
D
I
D
I
A
L
E
C
T
G
I
F
T
A
R
D
K
A
S
A
H
L
D
A
G
A
K
R
V
L
V
-
S
A
P
S
E
G
A
D
L
T
V
V
Y
G
V
N
H
Q
F
L
-
S
K
E
-
H
-
H
V
I
S
N
A
S
C
T
T
N
C
L
A
P
V
A
Q
V
L
H
N
T
V
G
I
E
K
G
F
M
T
T
I
H
S
Y
T
G
D
Q
P
V
L
D
T
M
H
R
D
L
Y
R
A
-
R
A
A
A
L
S
M
I
P
T
S
T
G
A
A
K
A
V
G
L
V
L
P
E
L
K
G
L
L
D
G
V
S
I
R
V
P
T
P
N
V
S
V
V
D
L
T
F
T
A
-
K
R
-
S
T
T
I
E
E
I
N
T
A
I
R
T
A
A
-
Q
-------
G
S
L
K
G
I
L
D
Y
T
D
E
K
L
V
S
-
C
D
F
N
H
N
P
H
S
A
I
F
H
N
D
Q
T
K
V
I
D-
G
-
Q
L
-
C
R
V
L
V
W
Y
D
N
E
W
G
F
S
N
R
M
C
D
T
A
V
A
F
---
89
PsiBlast_CBE
87.07
42%
-104
- C4 -
-
3ZDF
1
?
B:
[18-347]
M
V
R
V
A
I
N
G
F
G
R
I
G
R
N
F
M
R
C
W
L
Q
R
K
A
-
N
S
K
L
E
I
V
G
I
N
D
-
T
S
D
P
R
T
N
A
H
L
L
K
Y
D
S
M
L
G
I
F
Q
-
D
-
A
E
I
T
A
D
D
D
C
I
Y
A
G
--
G
H
A
------
V
K
C
V
S
D
R
N
P
E
N
L
P
W
S
A
W
G
I
D
L
V
I
E
A
T
G
V
F
T
S
R
E
G
A
S
K
H
L
S
A
G
A
K
K
V
L
I
T
A
P
G
K
G
N
I
P
T
Y
V
V
-
G
V
N
H
H
T
Y
-
D
P
S
-
E
-
D
I
V
S
N
A
S
C
T
T
N
C
L
A
P
I
V
K
V
L
H
E
A
F
G
I
Q
Q
G
M
M
T
T
T
H
S
Y
T
G
D
Q
R
L
L
D
A
S
H
R
D
L
R
R
A
-
R
A
A
A
M
N
I
V
P
T
S
T
G
A
A
K
A
V
G
L
V
I
P
E
L
Q
G
K
L
N
G
I
A
L
R
V
P
T
P
N
V
S
V
V
D
F
V
A
Q
V
-
E
K
-
P
T
I
A
E
Q
V
N
Q
V
I
K
E
A
S
-
E
-------
T
T
M
K
G
I
I
H
Y
S
E
L
E
L
V
S
-
S
D
Y
R
G
H
N
A
S
S
I
L
D
A
S
L
T
M
V
L
--
G
-
G
N
L
V
K
V
V
A
W
Y
D
N
E
W
G
Y
S
Q
R
V
L
D
L
A
E
-----
88
PsiBlast_CBE
87.06
42%
-105
- C4 -
-
4BOY
1
?
A:
[18-347]
M
V
R
V
A
I
N
G
F
G
R
I
G
R
N
F
M
R
C
W
L
Q
R
K
A
-
N
S
K
L
E
I
V
G
I
N
D
-
T
S
D
P
R
T
N
A
H
L
L
K
Y
D
S
M
L
G
I
F
Q
-
D
-
A
E
I
T
A
D
D
D
C
I
Y
A
G
--
G
H
A
------
V
K
C
V
S
D
R
N
P
E
N
L
P
W
S
A
W
G
I
D
L
V
I
E
A
T
G
V
F
T
S
R
E
G
A
S
K
H
L
S
A
G
A
K
K
V
L
I
T
A
P
G
K
G
N
I
P
T
Y
V
V
-
G
V
N
H
H
T
Y
-
D
P
S
-
E
-
D
I
V
S
N
A
S
C
T
T
N
C
L
A
P
I
V
K
V
L
H
E
A
F
G
I
Q
Q
G
M
M
T
T
T
H
S
Y
T
G
D
Q
R
L
L
D
A
S
H
R
D
L
R
R
A
-
R
A
A
A
M
N
I
V
P
T
S
T
G
A
A
K
A
V
G
L
V
I
P
E
L
Q
G
K
L
N
G
I
A
L
R
V
P
T
P
N
V
S
V
V
D
F
V
A
Q
V
-
E
K
-
P
T
I
A
E
Q
V
N
Q
V
I
K
E
A
S
-
E
-------
T
T
M
K
G
I
I
H
Y
S
E
L
E
L
V
S
-
S
D
Y
R
G
H
N
A
S
S
I
L
D
A
S
L
T
M
V
L
--
G
-
G
N
L
V
K
V
V
A
W
Y
D
N
E
W
G
Y
S
Q
R
V
L
D
L
A
E
-----
145
HHSearch
86.97
46%
-82
- C4 -
-
4DIB
-
?
E:
[4-332]
M
T
R
V
A
I
N
G
F
G
R
I
G
R
M
V
F
R
Q
A
I
K
E
----
S
A
F
E
I
V
A
I
N
A
-
S
Y
P
S
E
T
L
A
H
L
I
K
Y
D
T
V
H
G
K
F
D
G
T
-
V
E
A
F
--
E
D
H
L
L
V
D
--
G
------
K
M
I
R
L
L
N
N
R
D
P
K
E
L
P
W
T
D
L
G
V
E
V
V
I
E
A
T
G
K
F
N
S
K
E
K
A
I
L
H
V
E
A
G
A
K
K
V
I
L
T
A
P
G
K
N
E
-
D
V
T
I
V
V
G
V
N
E
D
Q
L
-
D
I
T
K
H
-
T
V
I
S
N
A
S
C
T
T
N
C
L
A
P
V
V
K
V
L
D
E
Q
F
G
I
E
N
G
L
M
T
T
V
H
A
Y
-------------
L
R
R
A
-
R
A
C
G
Q
S
I
I
P
T
T
T
G
A
A
K
A
L
A
K
V
L
P
H
L
N
G
K
L
H
G
M
A
L
R
V
P
T
P
N
V
S
L
V
D
L
V
V
D
V
-
K
R
-
D
V
T
V
E
A
I
N
D
A
F
K
T
V
A
-
N
-------
G
A
L
K
G
I
V
E
F
S
E
E
P
L
V
S
-
I
D
F
N
T
N
T
H
S
A
I
I
D
G
L
S
T
M
V
M
--
G
D
R
K
-
V
K
V
L
A
W
Y
D
N
E
W
G
Y
S
R
R
V
V
D
L
V
T
L
V
---
91
PsiBlast_CBE
86.80
42%
-104
- C4 -
-
3ZCX
1
?
B:
[18-347]
M
V
R
V
A
I
N
G
F
G
R
I
G
R
N
F
M
R
C
W
L
Q
R
K
A
-
N
S
K
L
E
I
V
G
I
N
D
-
T
S
D
P
R
T
N
A
H
L
L
K
Y
D
S
M
L
G
I
F
Q
-
D
-
A
E
I
T
A
D
D
D
C
I
Y
A
G
--
G
H
A
------
V
K
C
V
S
D
R
N
P
E
N
L
P
W
S
A
W
G
I
D
L
V
I
E
A
T
G
V
F
T
S
R
E
G
A
S
K
H
L
S
A
G
A
K
K
V
L
I
T
A
P
G
K
G
N
I
P
T
Y
V
V
-
G
V
N
H
H
T
Y
-
D
P
S
-
E
-
D
I
V
S
N
A
S
C
T
T
N
C
L
A
P
I
V
K
V
L
H
E
A
F
G
I
Q
Q
G
M
M
T
T
T
H
S
Y
T
G
D
Q
R
L
L
D
A
S
H
R
D
L
R
R
A
-
R
A
A
A
M
N
I
V
P
T
S
T
G
A
A
K
A
V
G
L
V
I
P
E
L
Q
G
K
L
N
G
I
A
L
R
V
P
T
P
N
V
S
V
V
D
F
V
A
Q
V
-
E
K
-
P
T
I
A
E
Q
V
N
Q
V
I
K
E
A
S
-
E
-------
T
T
M
K
G
I
I
H
Y
S
E
L
E
L
V
S
-
S
D
Y
R
G
H
N
A
S
S
I
L
D
A
S
L
T
M
V
L
--
G
-
G
N
L
V
K
V
V
A
W
Y
D
N
E
W
G
Y
S
Q
R
V
L
D
L
A
E
-----
43
PsiBlast_CBE
86.72
44%
-120
- C4 -
-
2X5K
5
E4PD_ECOLI
R:
[4-328]
--
R
V
A
I
N
G
F
G
R
I
G
R
N
V
V
R
A
L
Y
E
S
G
R
-
R
A
E
I
T
V
V
A
I
N
E
-
L
A
D
A
A
G
M
A
H
L
L
K
Y
D
T
S
H
G
R
F
A
W
E
-
V
--
R
Q
E
R
D
Q
L
F
V
G
--
D
D
A
------
I
R
V
L
H
E
R
S
L
Q
S
L
P
W
R
E
L
G
V
D
V
V
L
D
C
T
G
V
Y
G
S
R
E
H
G
E
A
H
I
A
A
G
A
K
K
V
L
F
S
H
P
G
S
N
D
L
D
A
T
V
V
Y
G
V
N
Q
D
Q
L
-
R
A
E
-
H
-
R
I
V
S
N
A
S
A
T
T
N
S
I
I
P
V
I
K
L
L
D
D
A
Y
G
I
E
S
G
T
V
T
T
I
H
S
A
M
H
---
V
I
D
A
Y
H
P
D
L
R
R
T
-
R
A
A
S
Q
S
I
I
P
V
D
T
K
L
A
A
G
I
T
R
F
F
P
Q
F
N
D
R
F
E
A
I
A
V
R
V
P
T
I
N
V
T
A
I
D
L
S
V
T
V
-
K
K
-
P
V
K
A
N
E
V
N
L
L
L
Q
K
A
A
-
Q
-------
G
A
F
H
G
I
V
D
Y
T
E
L
P
L
V
S
-
V
D
F
N
H
D
P
H
S
A
I
V
D
G
T
Q
T
R
V
S
--
G
A
H
L
-
I
K
T
L
V
W
C
D
N
E
W
G
F
A
N
R
M
L
D
--------
28
PsiBlast_CBE
86.64
45%
-118
- C4 -
-
3L0D
1
?
B:
[25-352]
--
R
V
A
I
N
G
F
G
R
I
G
R
N
I
L
R
A
I
I
E
S
G
R
-
Q
-
D
I
E
V
V
A
L
N
D
-
L
G
S
V
E
T
N
A
H
L
L
R
Y
D
S
V
H
G
C
F
P
G
T
-
V
Q
V
V
G
D
A
I
D
I
-----
L
--------
I
K
V
F
A
E
R
D
P
A
Q
L
P
W
K
A
L
D
I
D
I
A
L
E
C
T
G
I
F
T
A
R
D
K
A
S
A
H
L
D
A
G
A
K
R
V
L
V
-
S
A
P
S
E
G
A
D
L
T
V
V
Y
G
V
N
H
Q
F
L
-
S
K
E
-
H
-
H
V
I
S
N
A
S
C
T
T
N
C
L
A
P
V
A
Q
V
L
H
N
T
V
G
I
E
K
G
F
M
T
T
I
H
S
Y
T
G
D
Q
P
V
L
D
T
M
H
R
D
L
Y
R
A
-
R
A
A
A
L
S
M
I
P
T
S
T
G
A
A
K
A
V
G
L
V
L
P
E
L
K
G
L
L
D
G
V
S
I
R
V
P
T
P
N
V
S
V
V
D
L
T
F
T
A
-
K
R
-
S
T
T
I
E
E
I
N
T
A
I
R
T
A
A
-
Q
-------
G
S
L
K
G
I
L
D
Y
T
D
E
K
L
V
S
-
C
D
F
N
H
N
P
H
S
A
I
F
H
N
D
Q
T
K
V
I
D-
G
-
Q
L
-
C
R
V
L
V
W
Y
D
N
E
W
G
F
S
N
R
M
C
D
T
A
V
A
F
---
90
PsiBlast_CBE
86.03
42%
-106
- C4 -
-
3ZDF
1
?
A:
[18-347]
M
V
R
V
A
I
N
G
F
G
R
I
G
R
N
F
M
R
C
W
L
Q
R
K
A
-
N
S
K
L
E
I
V
G
I
N
D
-
T
S
D
P
R
T
N
A
H
L
L
K
Y
D
S
M
L
G
I
F
Q
-
D
-
A
E
I
T
A
D
D
D
C
I
Y
A
G
--
G
H
A
------
V
K
C
V
S
D
R
N
P
E
N
L
P
W
S
A
W
G
I
D
L
V
I
E
A
T
G
V
F
T
S
R
E
G
A
S
K
H
L
S
A
G
A
K
K
V
L
I
T
A
P
G
K
G
N
I
P
T
Y
V
V
-
G
V
N
H
H
T
Y
-
D
P
S
-
E
-
D
I
V
S
N
A
S
C
T
T
N
C
L
A
P
I
V
K
V
L
H
E
A
F
G
I
Q
Q
G
M
M
T
T
T
H
S
Y
T
G
D
Q
R
L
L
D
A
S
H
R
D
L
R
R
A
-
R
A
A
A
M
N
I
V
P
T
S
T
G
A
A
K
A
V
G
L
V
I
P
E
L
Q
G
K
L
N
G
I
A
L
R
V
P
T
P
N
V
S
V
V
D
F
V
A
Q
V
-
E
K
-
P
T
I
A
E
Q
V
N
Q
V
I
K
E
A
S
-
E
-------
T
T
M
K
G
I
I
H
Y
S
E
L
E
L
V
S
-
S
D
Y
R
G
H
N
A
S
S
I
L
D
A
S
L
T
M
V
L
--
G
-
G
N
L
V
K
V
V
A
W
Y
D
N
E
W
G
Y
S
Q
R
V
L
D
L
A
E
-----
106
PsiBlast_CBE
85.24
44%
-70
- C4 -
-
3B1J
1
?
A:
[4-331]
--
R
V
A
I
N
G
F
G
R
I
G
R
N
F
L
R
C
W
F
-
G
R
Q
-
N
T
D
L
E
V
V
A
I
N
N
-
T
S
D
A
R
T
A
A
H
L
L
E
Y
D
S
V
L
G
R
F
N
A
---
D
I
S
Y
D
E
N
S
I
T
V
N
--
G
K
T
------
M
K
I
V
C
D
R
N
P
L
N
L
P
W
K
E
W
D
I
D
L
V
I
E
S
T
G
V
F
V
T
A
E
G
A
S
K
H
I
Q
A
G
A
K
K
V
L
I
T
A
P
G
K
G
E
G
V
G
T
Y
V
I
G
V
N
D
S
E
Y
-
R
H
E
-
D
F
A
V
I
S
N
A
S
C
T
T
N
C
L
A
P
V
A
K
V
L
H
D
N
F
G
I
I
K
G
T
M
T
T
T
H
S
Y
T
L
D
Q
R
I
L
D
A
S
H
R
D
L
R
R
A
-
R
A
A
A
V
N
I
V
P
T
T
T
G
A
A
K
A
V
A
L
V
I
P
E
L
K
G
K
L
N
G
I
A
L
R
V
P
T
P
N
V
S
V
V
D
L
V
V
Q
V
-
E
K
-
P
T
I
T
E
Q
V
N
E
V
L
Q
K
A
S
-
Q
-------
T
T
M
K
G
I
I
K
Y
S
D
L
P
L
V
S
-
S
D
F
R
G
T
D
E
S
S
I
V
D
S
S
L
T
L
V
M
D-
G
-
D
L
-
V
K
V
I
A
W
Y
D
N
E
W
G
Y
S
Q
R
V
V
D
L
A
E
-----
105
PsiBlast_CBE
84.38
44%
-71
- C4 -
-
3B1J
1
?
B:
[4-331]
--
R
V
A
I
N
G
F
G
R
I
G
R
N
F
L
R
C
W
F
-
G
R
Q
-
N
T
D
L
E
V
V
A
I
N
N
-
T
S
D
A
R
T
A
A
H
L
L
E
Y
D
S
V
L
G
R
F
N
A
---
D
I
S
Y
D
E
N
S
I
T
V
N
--
G
K
T
------
M
K
I
V
C
D
R
N
P
L
N
L
P
W
K
E
W
D
I
D
L
V
I
E
S
T
G
V
F
V
T
A
E
G
A
S
K
H
I
Q
A
G
A
K
K
V
L
I
T
A
P
G
K
G
E
G
V
G
T
Y
V
I
G
V
N
D
S
E
Y
-
R
H
E
-
D
F
A
V
I
S
N
A
S
C
T
T
N
C
L
A
P
V
A
K
V
L
H
D
N
F
G
I
I
K
G
T
M
T
T
T
H
S
Y
T
L
D
Q
R
I
L
D
A
S
H
R
D
L
R
R
A
-
R
A
A
A
V
N
I
V
P
T
T
T
G
A
A
K
A
V
A
L
V
I
P
E
L
K
G
K
L
N
G
I
A
L
R
V
P
T
P
N
V
S
V
V
D
L
V
V
Q
V
-
E
K
-
P
T
I
T
E
Q
V
N
E
V
L
Q
K
A
S
-
Q
-------
T
T
M
K
G
I
I
K
Y
S
D
L
P
L
V
S
-
S
D
F
R
G
T
D
E
S
S
I
V
D
S
S
L
T
L
V
M
D-
G
-
D
L
-
V
K
V
I
A
W
Y
D
N
E
W
G
Y
S
Q
R
V
V
D
L
A
E
-----
94
PsiBlast_CBE
83.78
43%
-68
- C4 -
-
1VC2
1
?
A:
[2-324]
--
K
V
G
I
N
G
F
G
R
I
G
R
Q
V
F
R
I
L
H
E
R
-----
G
V
E
V
A
L
I
N
D
-
L
T
D
N
K
T
L
A
H
L
L
K
Y
D
S
T
Y
G
R
F
P
G
A
-
V
G
Y
D
E
E
N
--
L
Y
V
D
--
G
K
A
------
I
R
A
T
A
I
K
D
P
R
E
I
P
W
K
Q
A
G
V
G
V
V
V
E
S
T
G
V
F
T
D
G
E
K
A
R
A
H
L
E
A
G
A
K
K
V
I
I
-
T
A
P
A
K
N
E
D
I
T
V
V
L
G
V
N
H
E
Q
Y
D
P
A
K
-
H
-
H
I
L
S
N
A
S
C
T
T
N
S
L
A
P
V
M
K
V
L
E
K
A
F
G
V
E
K
A
L
M
T
T
V
H
S
Y
T
N
D
Q
R
L
L
D
L
P
H
K
D
L
R
R
A
-
R
A
A
A
L
N
I
I
P
T
T
T
G
A
A
K
A
T
A
L
V
L
P
S
L
K
G
R
F
D
G
M
A
L
R
V
P
T
P
T
G
S
I
S
D
I
T
A
L
L
-
K
R
-
E
V
T
A
E
E
V
N
A
A
L
K
A
A
A
-
E
-------
G
P
L
K
G
I
L
A
Y
T
E
D
E
I
V
L
-
R
D
I
V
M
D
P
H
S
S
I
V
D
G
K
L
T
K
A
I
--
G
-
N
L
-
V
K
V
F
A
W
Y
D
N
E
W
G
Y
A
N
R
V
A
D
L
V
E
-----
18
PsiBlast_PDB
82.47
44%
-95
- C4 -
-
1HDG
1
G3P_THEMA
O:
[2-324]
--
R
V
A
I
N
G
F
G
R
I
G
R
L
V
Y
R
I
I
Y
E
R
-
K
-
N
P
D
I
E
V
V
A
I
N
D
-
L
T
D
T
K
T
L
A
H
L
L
K
Y
D
S
V
H
K
K
F
P
G
K
-
V
E
Y
T
-
E
N
S
L
I
V
D
G
--
K
E
-------
I
K
V
F
A
E
P
D
P
S
K
L
P
W
K
D
L
G
V
D
F
V
I
E
S
T
G
V
F
R
N
R
E
K
A
E
L
H
L
Q
A
G
A
K
K
V
I
I
-
T
A
P
A
K
G
E
D
I
T
V
V
I
G
C
N
E
D
Q
L
-
K
P
E
-
H
-
T
I
I
S
C
A
S
C
T
T
N
S
I
A
P
I
V
K
V
L
H
E
K
F
G
I
V
S
G
M
L
T
T
V
H
S
Y
T
N
D
Q
R
V
L
D
L
P
H
K
D
L
R
R
A
-
R
A
A
A
V
N
I
I
P
T
T
T
G
A
A
K
A
V
A
L
V
V
P
E
V
K
G
K
L
D
G
M
A
I
R
V
P
T
P
D
G
S
I
T
D
L
T
V
L
V
-
E
K
-
E
T
T
V
E
E
V
N
A
V
M
K
E
A
T
-
E
-------
G
R
L
K
G
I
I
G
Y
N
D
E
P
I
V
S
-
S
D
I
I
G
T
T
F
S
G
I
F
D
A
T
I
T
N
V
I
--
G
-
G
K
L
V
K
V
A
S
W
Y
D
N
E
Y
G
Y
S
N
R
V
V
D
--------
82
PsiBlast_CBE
81.43
44%
-95
- C4 -
-
1HDG
1
G3P_THEMA
Q:
[2-324]
--
R
V
A
I
N
G
F
G
R
I
G
R
L
V
Y
R
I
I
Y
E
R
-
K
-
N
P
D
I
E
V
V
A
I
N
D
-
L
T
D
T
K
T
L
A
H
L
L
K
Y
D
S
V
H
K
K
F
P
G
K
-
V
E
Y
T
-
E
N
S
L
I
V
D
G
--
K
E
-------
I
K
V
F
A
E
P
D
P
S
K
L
P
W
K
D
L
G
V
D
F
V
I
E
S
T
G
V
F
R
N
R
E
K
A
E
L
H
L
Q
A
G
A
K
K
V
I
I
-
T
A
P
A
K
G
E
D
I
T
V
V
I
G
C
N
E
D
Q
L
-
K
P
E
-
H
-
T
I
I
S
C
A
S
C
T
T
N
S
I
A
P
I
V
K
V
L
H
E
K
F
G
I
V
S
G
M
L
T
T
V
H
S
Y
T
N
D
Q
R
V
L
D
L
P
H
K
D
L
R
R
A
-
R
A
A
A
V
N
I
I
P
T
T
T
G
A
A
K
A
V
A
L
V
V
P
E
V
K
G
K
L
D
G
M
A
I
R
V
P
T
P
D
G
S
I
T
D
L
T
V
L
V
-
E
K
-
E
T
T
V
E
E
V
N
A
V
M
K
E
A
T
-
E
-------
G
R
L
K
G
I
I
G
Y
N
D
E
P
I
V
S
-
S
D
I
I
G
T
T
F
S
G
I
F
D
A
T
I
T
N
V
I
--
G
-
G
K
L
V
K
V
A
S
W
Y
D
N
E
Y
G
Y
S
N
R
V
V
D
--------
148
HHSearch
79.83
43%
-65
- C4 -
-
2EP7
1
G3P_AQUAE
B:
[2-337]
A
I
K
V
G
I
N
G
F
G
R
I
G
R
S
F
F
R
A
S
W
G
R
----
E
E
I
E
I
V
A
I
N
D
-
L
T
D
A
K
H
L
A
H
L
L
K
Y
D
S
V
H
G
I
F
K
G
S
-
V
E
A
--
K
D
D
S
I
V
V
D
--
G
------
K
E
I
K
V
F
A
Q
K
D
P
S
Q
I
P
W
G
D
L
G
V
D
V
V
I
E
A
T
G
V
F
R
D
R
E
N
A
S
K
H
L
Q
G
G
A
K
K
V
I
I
T
A
P
A
K
N
P
-
D
I
T
V
V
L
G
V
N
E
E
K
Y
-
N
P
K
E
H
-
N
I
I
S
N
A
S
C
T
T
N
C
L
A
P
C
V
K
V
L
N
E
A
F
G
V
E
K
G
Y
M
V
T
V
H
A
Y
T
N
D
Q
R
L
L
D
L
P
H
K
D
F
R
R
A
-
R
A
A
A
I
N
I
V
P
T
T
T
G
A
A
K
A
I
G
E
V
I
P
E
L
K
G
K
L
D
G
T
A
R
R
V
P
V
P
D
G
S
L
I
D
L
T
V
V
V
-
N
K
A
P
S
S
V
E
E
V
N
E
K
F
R
E
A
A
Q
K
Y
R
E
SGK-
V
Y
L
K
E
I
L
Q
Y
C
E
D
P
I
V
S
-
T
D
I
V
G
N
P
H
S
A
I
F
D
A
P
L
T
Q
V
I
--
D
-
N
L
-
V
H
I
A
A
W
Y
D
N
E
W
G
Y
S
C
R
L
R
D
L
V
I
Y
L
---
146
HHSearch
79.23
43%
-39
- C4 -
-
4BOY
1
?
B:
[18-349]
M
V
R
V
A
I
N
G
F
G
R
I
G
R
N
F
M
R
C
W
L
Q
R
K
A
-
N
S
K
L
E
I
V
G
I
N
D
-
T
S
D
P
R
T
N
A
H
L
L
K
Y
D
S
M
L
G
I
F
Q
D
A
E
I
T
A
--
D
D
D
C
I
Y
A
G
--
G
------
H
A
V
K
C
V
S
D
R
N
P
E
N
L
P
W
S
A
W
G
I
D
L
V
I
E
A
T
G
V
F
T
S
R
E
G
A
S
K
H
L
S
A
G
A
K
K
V
L
I
T
A
P
G
K
G
-
N
I
P
T
Y
V
V
G
V
N
H
H
T
Y
-
D
P
S
-
E
-
D
I
V
S
N
A
S
C
T
T
N
C
L
A
P
I
V
K
V
L
H
E
A
F
G
I
Q
Q
G
M
M
T
T
T
H
S
Y
T
G
D
Q
R
L
L
D
A
S
H
R
D
L
R
R
A
-
R
A
A
A
M
N
I
V
P
T
S
T
G
A
A
K
A
V
G
L
V
I
P
E
L
Q
G
K
L
N
G
I
A
L
R
V
P
T
P
N
V
S
V
V
D
F
V
A
Q
V
-
E
K
-
P
T
I
A
E
Q
V
N
Q
V
I
K
E
A
S
-
E
-------
T
T
M
K
G
I
I
H
Y
S
E
L
E
L
V
S
-
S
D
Y
R
G
H
N
A
S
S
I
L
D
A
S
L
T
M
V
L
--
G
G
N
L
-
V
K
V
V
A
W
Y
D
N
E
W
G
Y
S
Q
R
V
L
D
L
A
E
H
M
---
93
PsiBlast_CBE
78.85
41%
-58
- C4 -
-
2EP7
1
G3P_AQUAE
A:
[4-333]
--
K
V
G
I
N
G
F
G
R
I
G
R
S
F
F
R
A
---
S
W
G
-
R
E
E
I
E
I
V
A
I
N
D
-
L
T
D
A
K
H
L
A
H
L
L
K
Y
D
S
V
H
G
I
F
K
G
S
-
V
E
A
--
K
D
D
S
I
V
V
D
--
G
K
------
E
I
K
V
F
A
Q
K
D
P
S
Q
I
P
W
G
D
L
G
V
D
V
V
I
E
A
T
G
V
F
R
D
R
E
N
A
S
K
H
L
Q
G
G
A
K
K
V
I
I
-
T
A
P
A
K
N
P
D
I
T
V
V
L
G
V
N
E
E
K
Y
-
N
P
K
-
E
H
N
I
I
S
N
A
S
C
T
T
N
C
L
A
P
C
V
K
V
L
N
E
A
F
G
V
E
K
G
Y
M
V
T
V
H
A
Y
T
N
D
Q
R
L
L
D
L
P
H
K
D
F
R
R
A
-
R
A
A
A
I
N
I
V
P
T
T
T
G
A
A
K
A
I
G
E
V
I
P
E
L
K
G
K
L
D
G
T
A
R
R
V
P
V
P
D
G
S
L
I
D
L
T
V
V
V
N
K
A
-
P
S
S
V
E
E
V
N
E
K
F
R
E
A
A
-
Q
K
Y
R
E
SGK
V
Y
L
K
E
I
L
Q
Y
C
E
D
P
I
V
S
-
T
D
I
V
G
N
P
H
S
A
I
F
D
A
P
L
T
Q
V
I
--
D
-
N
L
-
V
H
I
A
A
W
Y
D
N
E
W
G
Y
S
C
R
L
R
D
L
-------
92
PsiBlast_CBE
77.90
41%
-58
- C4 -
-
2EP7
1
G3P_AQUAE
B:
[4-333]
--
K
V
G
I
N
G
F
G
R
I
G
R
S
F
F
R
A
---
S
W
G
-
R
E
E
I
E
I
V
A
I
N
D
-
L
T
D
A
K
H
L
A
H
L
L
K
Y
D
S
V
H
G
I
F
K
G
S
-
V
E
A
--
K
D
D
S
I
V
V
D
--
G
K
------
E
I
K
V
F
A
Q
K
D
P
S
Q
I
P
W
G
D
L
G
V
D
V
V
I
E
A
T
G
V
F
R
D
R
E
N
A
S
K
H
L
Q
G
G
A
K
K
V
I
I
-
T
A
P
A
K
N
P
D
I
T
V
V
L
G
V
N
E
E
K
Y
-
N
P
K
-
E
H
N
I
I
S
N
A
S
C
T
T
N
C
L
A
P
C
V
K
V
L
N
E
A
F
G
V
E
K
G
Y
M
V
T
V
H
A
Y
T
N
D
Q
R
L
L
D
L
P
H
K
D
F
R
R
A
-
R
A
A
A
I
N
I
V
P
T
T
T
G
A
A
K
A
I
G
E
V
I
P
E
L
K
G
K
L
D
G
T
A
R
R
V
P
V
P
D
G
S
L
I
D
L
T
V
V
V
N
K
A
-
P
S
S
V
E
E
V
N
E
K
F
R
E
A
A
-
Q
K
Y
R
E
SGK
V
Y
L
K
E
I
L
Q
Y
C
E
D
P
I
V
S
-
T
D
I
V
G
N
P
H
S
A
I
F
D
A
P
L
T
Q
V
I
--
D
-
N
L
-
V
H
I
A
A
W
Y
D
N
E
W
G
Y
S
C
R
L
R
D
L
-------
149
Fugue
69.52
45%
20
- C4 -
-
1HDG
1
G3P_THEMA
O:
[1-332]
-
A
R
V
A
I
N
G
F
G
R
I
G
R
L
V
Y
R
I
I
Y
E
R
K
N
P
D
--
I
E
V
V
A
I
N
D
L-
T
D
T
K
T
L
A
H
L
L
K
Y
D
S
V
H
K
K
F
P
G
K
-
V
E
Y
T
--------
E
NS
L
I
V
D
G
K
E
I
K
V
F
A
-
E
-
P
D
P
S
K
L
P
W
K
D
L
G
V
D
F
V
I
E
S
T
G
V
F
R
N
R
E
K
A
E
L
H
L
Q
A
G
A
K
K
V
I
I
-
T
A
P
A
K
G
E
D
I
T
V
V
I
G
C
N
E
D
Q
L
-
K
P
E
--H
T
I
I
S
C
A
S
C
T
T
N
S
I
A
P
I
V
K
V
L
H
E
K
F
G
I
V
S
G
M
L
T
T
V
H
S
Y
T
N
D
Q
R
V
L
D
L
P
H
K
D
L
R
R
A
R
A
A
-
A
V
N
I
I
P
T
T
T
G
A
A
K
A
V
A
L
V
V
P
E
V
K
G
K
L
D
G
M
A
I
R
V
P
T
P
D
G
S
I
T
D
L
T
V
L
V
-
E
K
-
E
T
T
V
E
E
V
N
A
V
M
K
E
A
T
-
E
-------
G
R
L
K
G
I
I
G
Y
N
D
E
P
I
V
S
S-
D
I
I
G
T
T
F
S
G
I
F
D
A
T
I
T
N
V
-IG
G
-
K
L
-
V
K
V
A
S
W
Y
D
N
E
Y
G
Y
S
N
R
V
V
D
T
L
E
L
L
LKM