@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 : PA5514: (2016-03-08 )
MRPLLFSALLLLSGHTQASEWNDSQAVDKLFGAAGVKGTFVLYDVQRQRYVGHDRERAETRFVPASTYKVANSLIGLSTGAVRSADEVLPYGGKPQRFKAWEHDMSLRDAIKASNVPVYQELARRIGLERMRANVSRLGYGNAEIGQVVDNFWLVGPLKISAMEQTRFLLRLAQGELPFPAPVQSTVRAMTLLESGPGWELHGKTGWCFDCTPELGWWVGWVKRNERLYGFALNIDMPGGEADIGKRVELGKASLKALGILP
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MR
P
L
L
F
S
A
L
L
L
LSGHTQASEWN
D
S
Q
A
V
D
K
L
F
GAAGV
K
G
T
F
V
L
Y
DV
Q
R
Q
R
YV--GHDRERAE
T
R
F
VP
A
S
T
Y
K
V
A
N
S
L
IGLSTGAVR
S
A
D
EVLPYGGKP
Q
R
F
K
A
W
E
H
D
M
S
L
R
D
A
I
KASN
V
P
V
Y
Q
E
L
A
R
RI
G
L
E
R
M
R
A
N
V
S
RLGYGN
A
E
I
G
Q
V
V
D
N
F
W
L
VG
P
L
K
I
S
A
M
E
Q
T
R
F
L
L
R
LAQGELPFPA
P
V
Q
S
T
V
R
A
M
T
L
LESGPG
W
E
L
HGK
T
G
W
-
C
---
F
DCTPEL
G
W
W
V
G
W
V
KRN
E
-
R
L
Y
G
F
A
L
N
I
DMPGGEADIGKRVEL
G
K
A
S
L
K
ALGILP
1
PsiBlast_PDB
94.19
44%
-101
- C3 -
4JF4
2
?
A:
[7-243]
-----------------------
N
Q
V
I
H
Q
Y
F
D
E
K
N
T
S
G
V
L
V
I
Q
T
D
K
K
I
N
L
Y
--
G
N
A
L
S
R
A
N
T
E
Y
V
P
A
S
T
F
K
M
L
N
A
L
I
G
L
E
N
Q
K
T
-
D
I
N
E
I
F
K
W
K
G
E
K
R
S
F
T
A
W
E
K
D
M
T
L
G
E
A
M
K
L
S
A
V
P
V
Y
Q
E
L
A
R
R
I
G
L
D
L
M
Q
K
E
V
K
R
I
G
F
G
N
A
E
I
G
Q
Q
V
D
N
F
W
L
V
G
P
L
K
V
T
P
I
Q
E
V
E
F
V
S
Q
L
A
H
T
Q
L
P
F
S
E
K
V
Q
A
N
V
K
N
M
L
L
L
E
E
S
N
G
Y
K
I
F
G
K
T
G
W
-
A
---
M
D
I
K
P
Q
V
G
W
L
T
G
W
V
E
Q
P
D
G
K
I
V
A
F
A
L
N
M
E
M
R
-
S
E
M
P
A
S
I
R
N
E
L
L
M
K
S
L
K
Q
L
N
I
I
-
2
PsiBlast_PDB
92.61
44%
-101
- C3 -
4JF5
2
?
A:
[7-243]
-----------------------
N
Q
V
I
H
Q
Y
F
D
E
K
N
T
S
G
V
L
V
I
Q
T
D
K
K
I
N
L
Y
--
G
N
A
L
S
R
A
N
T
E
Y
V
P
A
S
T
F
K
M
L
N
A
L
I
G
L
E
N
Q
K
T
-
D
I
N
E
I
F
K
W
K
G
E
K
R
S
F
T
A
W
E
K
D
M
T
L
G
E
A
M
K
L
S
A
V
P
V
Y
Q
E
L
A
R
R
I
G
L
D
L
M
Q
K
E
V
K
R
I
G
F
G
N
A
E
I
G
Q
Q
V
D
N
F
W
L
V
G
P
L
K
V
T
P
I
Q
E
V
E
F
V
S
Q
L
A
H
T
Q
L
P
F
S
E
K
V
Q
A
N
V
K
N
M
L
L
L
E
E
S
N
G
Y
K
I
F
G
K
T
G
W
-
A
---
M
D
I
K
P
Q
V
G
W
L
T
G
W
V
E
Q
P
D
G
K
I
V
A
F
A
L
N
M
E
M
R
-
S
E
M
P
A
S
I
R
N
E
L
L
M
K
S
L
K
Q
L
N
I
I
-
4
PsiBlast_PDB
91.93
43%
-97
- C3 -
4X55
1
?
A:
[17-253]
-----------------------
N
Q
V
I
H
Q
Y
F
D
E
K
N
T
S
G
V
L
V
I
Q
T
D
K
K
I
N
L
Y
--
G
N
A
L
S
R
A
N
T
E
Y
V
P
A
S
T
F
D
M
L
N
A
L
I
G
L
E
N
Q
K
T
-
D
I
N
E
I
F
K
W
K
G
E
K
R
S
F
T
A
W
E
K
D
M
T
L
G
E
A
M
K
L
S
A
V
P
V
Y
Q
E
L
A
R
R
I
G
L
D
L
M
Q
K
E
V
K
R
I
G
F
G
N
A
E
I
G
Q
Q
V
D
N
F
W
L
V
G
P
L
K
V
T
P
I
Q
E
V
E
F
V
S
Q
L
A
H
T
Q
L
P
F
S
E
K
V
Q
A
N
V
K
N
M
L
L
L
E
E
S
N
G
Y
K
I
F
G
K
T
G
W
-
A
---
M
D
I
K
S
Q
V
G
W
L
T
G
W
V
E
Q
P
D
G
K
I
V
A
F
A
L
N
M
E
M
R
-
S
E
M
P
A
S
I
R
N
E
L
L
M
K
S
L
K
Q
L
N
I
I
-
21
PsiBlast_CBE
90.63
44%
-100
- C3 -
4JF4
1
?
B:
[7-243]
-----------------------
N
Q
V
I
H
Q
Y
F
D
E
K
N
T
S
G
V
L
V
I
Q
T
D
K
K
I
N
L
Y
--
G
N
A
L
S
R
A
N
T
E
Y
V
P
A
S
T
F
K
M
L
N
A
L
I
G
L
E
N
Q
K
T
-
D
I
N
E
I
F
K
W
K
G
E
K
R
S
F
T
A
W
E
K
D
M
T
L
G
E
A
M
K
L
S
A
V
P
V
Y
Q
E
L
A
R
R
I
G
L
D
L
M
Q
K
E
V
K
R
I
G
F
G
N
A
E
I
G
Q
Q
V
D
N
F
W
L
V
G
P
L
K
V
T
P
I
Q
E
V
E
F
V
S
Q
L
A
H
T
Q
L
P
F
S
E
K
V
Q
A
N
V
K
N
M
L
L
L
E
E
S
N
G
Y
K
I
F
G
K
T
G
W
-
A
---
M
D
I
K
P
Q
V
G
W
L
T
G
W
V
E
Q
P
D
G
K
I
V
A
F
A
L
N
M
E
M
R
-
S
E
M
P
A
S
I
R
N
E
L
L
M
K
S
L
K
Q
L
N
I
I
-
13
PsiBlast_PDB
90.61
36%
-100
- C3 -
4S2K
1
?
A:
[24-265]
-------------------
E
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
K
S
Q
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
K
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
S
G
N
V
D
S
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
-
S
---
T
R
I
E
P
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
T
S
D
G
-
L
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
79
PsiBlast_CBE
90.53
36%
-107
- C3 -
4WMC
1
?
E:
[1-242]
-------------------
E
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
---
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
-
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
S
G
N
V
D
S
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
-
S
---
T
R
I
E
P
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
T
S
D
G
-
L
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
14
PsiBlast_PDB
89.93
36%
-96
- C3 -
4S2N
1
?
C:
[24-265]
-------------------
E
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
K
S
Q
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
K
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
S
G
N
V
D
S
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
-
S
---
T
R
I
E
P
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
T
S
D
G
-
L
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
26
PsiBlast_CBE
89.65
36%
-98
- C3 -
4S2K
1
?
C:
[21-265]
----------------
V
A
K
E
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
K
S
Q
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
K
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
S
G
N
V
D
S
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
-
S
---
T
R
I
E
P
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
T
S
D
G
-
L
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
30
PsiBlast_CBE
89.64
36%
-98
- C3 -
4S2J
1
?
B:
[25-265]
--------------------
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
K
S
Q
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
K
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
S
G
N
V
D
S
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
-
S
---
T
R
I
E
P
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
T
S
D
G
-
L
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
83
PsiBlast_CBE
89.13
35%
-97
- C3 -
4S2M
6
?
D:
[1-237]
--------------------
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
K
S
Q
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
K
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
S
G
N
V
D
S
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
--------
D
T
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
T
S
----
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
25
PsiBlast_CBE
89.11
36%
-98
- C3 -
4S2K
1
?
D:
[24-265]
-------------------
E
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
K
S
Q
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
K
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
S
G
N
V
D
S
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
-
S
---
T
R
I
E
P
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
T
S
D
G
-
L
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
80
PsiBlast_CBE
88.93
36%
-106
- C3 -
4WMC
1
?
D:
[1-242]
-------------------
E
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
K
S
Q
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
-
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
------
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
-
S
---
T
R
I
E
P
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
T
S
D
G
-
L
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
5
PsiBlast_PDB
88.84
42%
-89
- C3 -
4ZDX
2
?
A:
[34-274]
-------------------
S
D
E
K
A
E
K
I
K
N
L
F
N
E
V
H
T
T
G
V
L
V
I
Q
Q
G
Q
T
Q
Q
S
Y
--
G
N
D
L
A
R
A
S
T
E
Y
V
P
A
S
T
F
-
M
L
N
A
L
I
G
L
E
H
H
K
A
T
T
T
-
E
V
F
K
W
D
G
Q
K
R
L
F
P
E
W
E
K
D
M
T
L
G
D
A
M
K
A
S
A
I
P
V
Y
Q
D
L
A
R
R
I
G
L
E
L
M
S
K
E
V
K
R
V
G
Y
G
N
A
D
I
G
T
Q
V
D
N
F
W
L
V
G
P
L
K
I
T
P
Q
Q
E
A
Q
F
A
Y
K
L
A
N
K
T
L
P
F
S
P
K
V
Q
D
E
V
Q
S
M
L
F
I
E
E
K
N
G
N
K
I
Y
A
K
S
G
W
-
G
---
W
D
V
D
P
Q
V
G
W
L
T
G
W
V
V
Q
P
Q
G
N
I
V
A
F
S
L
N
L
E
M
K
K
G
I
P
S
-
S
V
R
K
E
I
T
Y
K
S
L
E
Q
L
G
I
L
-
87
PsiBlast_CBE
88.80
35%
-103
- C3 -
4S2L
2
?
B:
[1-237]
--------------------
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
K
S
Q
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
-
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
S
G
N
V
D
S
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
--------
D
T
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
T
S
D
G
-
L
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
27
PsiBlast_CBE
88.50
36%
-97
- C3 -
4S2K
1
?
B:
[21-265]
----------------
V
A
K
E
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
K
S
Q
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
K
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
S
G
N
V
D
S
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
-
S
---
T
R
I
E
P
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
T
S
D
G
-
L
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
12
PsiBlast_PDB
88.32
36%
-99
- C3 -
4S2J
1
?
A:
[25-265]
--------------------
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
K
S
Q
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
K
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
S
G
N
V
D
S
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
-
S
---
T
R
I
E
P
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
T
S
D
G
-
L
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
88
PsiBlast_CBE
88.30
35%
-101
- C3 -
4S2L
1
?
A:
[1-237]
--------------------
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
K
S
Q
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
-
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
S
G
N
V
D
S
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
--------
D
T
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
T
S
D
G
-
L
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
84
PsiBlast_CBE
88.19
35%
-101
- C3 -
4S2M
5
?
C:
[1-237]
--------------------
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
K
S
Q
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
K
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
S
G
N
V
D
S
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
--------
D
T
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
---
G
-
L
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
3
PsiBlast_PDB
88.18
44%
-98
- C3 -
4K0W
14
?
A:
[7-244]
-----------------------
N
Q
V
I
H
Q
Y
F
D
E
K
N
T
S
G
V
L
V
I
Q
T
D
K
K
I
N
L
Y
--
G
N
A
L
S
R
A
N
T
E
Y
V
P
A
S
T
F
K
M
L
N
A
L
I
G
L
E
N
Q
K
T
-
D
I
N
E
I
F
K
W
K
----------
K
D
M
T
L
G
E
A
M
K
L
S
A
V
P
V
Y
Q
E
L
A
R
R
I
G
L
D
L
M
Q
K
E
V
K
R
I
G
F
G
N
A
E
I
G
Q
Q
V
D
N
F
W
L
V
G
P
L
K
V
T
P
I
Q
E
V
E
F
V
S
Q
L
A
H
T
Q
L
P
F
S
E
K
V
Q
A
N
V
K
N
M
L
L
L
E
E
S
N
G
Y
K
I
F
G
K
T
G
W
A
A
---
M
D
I
K
P
Q
V
G
W
L
T
G
W
V
E
Q
P
D
G
K
I
V
A
F
A
L
N
M
E
M
R
-
S
E
M
P
A
S
I
R
N
E
L
L
M
K
S
L
K
Q
L
N
I
I
-
24
PsiBlast_CBE
88.02
36%
-96
- C3 -
4S2N
1
?
D:
[24-265]
-------------------
E
W
Q
E
N
K
S
W
N
A
H
F
T
E
H
K
S
Q
G
V
V
V
L
W
N
E
N
K
Q
Q
G
F
--
T
N
N
L
K
R
A
N
Q
A
F
L
P
A
S
T
F
K
I
P
N
S
L
I
A
L
D
L
G
V
V
K
D
E
H
Q
V
F
K
W
D
G
Q
T
R
D
I
A
T
W
N
R
D
H
N
L
I
T
A
M
K
Y
S
V
V
P
V
Y
Q
E
F
A
R
Q
I
G
E
A
R
M
S
K
M
L
H
A
F
D
Y
G
N
E
D
I
S
G
N
V
D
S
F
W
L
D
G
G
I
R
I
S
A
T
E
Q
I
S
F
L
R
K
L
Y
H
N
K
L
H
V
S
E
R
S
Q
R
I
V
K
Q
A
M
L
T
E
A
N
G
D
Y
I
I
R
A
K
T
G
Y
-
S
---
T
R
I
E
P
K
I
G
W
W
V
G
W
V
E
L
D
D
-
N
V
W
F
F
A
M
N
M
D
M
P
T
S
D
G
-
L
G
L
R
Q
A
I
T
K
E
V
L
K
Q
E
K
I
I
P
81
PsiBlast_CBE
86.69
35%
-98
- C3 -
4WZ5
6
?
B:
[5-246]
---------------
T
E
N
T
S
W
N
------
K
E
F
S
A
E
A
V
N
G
V
F
V
L
C
K
S
S
S
K
S
C
A
--
T
N
D
L
A
R
A
S
K
E
Y
L
P
A
S
T
F
-
I
P
N
A
I
I
G
L
E
T
G
V
I
K
N
E
H
Q
V
F
K
W
D
G
K
P
R
A
M
K
Q
W
E
R
D
L
T
L
R
G
A
I
Q
V
S
A
V
P
V
F
Q
Q
I
A
R
E
V
G
E
V
R
M
Q
K
Y
L
K
K
F
S
Y
G
N
Q
N
I
S
G
G
I
D
K
F
W
L
E
G
Q
L
R
I
S
A
V
N
Q
V
E
F
L
E
S
L
Y
L
N
K
L
S
A
S
K
E
N
Q
L
I
V
K
E
A
L
V
T
E
A
A
P
E
Y
L
V
H
S
K
T
G
F
-
S
G
V
G
T
E
S
N
P
G
V
A
W
W
V
G
W
V
E
K
E
T
-
E
V
Y
F
F
A
F
N
M
D
I
D
-
N
E
S
K
L
P
L
R
K
S
I
P
T
K
I
M
E
S
E
G
I
I
-
82
PsiBlast_CBE
86.50
35%
-96
- C3 -
4WZ5
5
?
A:
[5-246]
---------------
T
E
N
T
S
W
N
------
K
E
F
S
A
E
A
V
N
G
V
F
V
L
C
K
S
S
S
K
S
C
A
--
T
N
D
L
A
R
A
S
K
E
Y
L
P
A
S
T
F
-
I
P
N
A
I
I
G
L
E
T
G
V
I
K
N
E
H
Q
V
F
K
W
D
G
K
P
R
A
M
K
Q
W
E
R
D
L
T
L
R
G
A
I
Q
V
S
A
V
P
V
F
Q
Q
I
A
R
E
V
G
E
V
R
M
Q
K
Y
L
K
K
F
S
Y
G
N
Q
N
I
S
G
G
I
D
K
F
W
L
E
G
Q
L
R
I
S
A
V
N
Q
V
E
F
L
E
S
L
Y
L
N
K
L
S
A
S
K
E
N
Q
L
I
V
K
E
A
L
V
T
E
A
A
P
E
Y
L
V
H
S
K
T
G
F
-
S
GVG
T
E
S
N
P
G
V
A
W
W
V
G
W
V
E
K
E
T
-
E
V
Y
F
F
A
F
N
M
D
I
D
-
N
E
S
K
L
P
L
R
K
S
I
P
T
K
I
M
E
S
E
G
I
I
-
67
PsiBlast_CBE
85.69
35%
-95
- C3 -
2WGI
2
BLO10_PSEAI
B:
[5-246]
---------------
T
E
N
T
S
W
N
------
K
E
F
S
A
E
A
V
N
G
V
F
V
L
C
K
S
S
S
K
S
C
A
--
T
N
D
L
A
R
A
S
K
E
Y
L
P
A
S
T
F
K
I
P
N
A
I
I
G
L
E
T
G
V
I
K
N
E
H
Q
V
F
K
W
D
G
K
P
R
A
M
K
Q
W
E
R
D
L
T
L
R
G
A
I
Q
V
S
A
V
P
V
F
Q
Q
I
A
R
E
V
G
E
V
R
M
Q
K
Y
L
K
K
F
S
Y
G
N
Q
N
I
S
G
G
I
D
K
F
A
L
E
G
Q
L
R
I
S
A
V
N
Q
V
E
F
L
E
S
L
Y
L
N
K
L
S
A
S
K
E
N
Q
L
I
V
K
E
A
L
V
T
E
A
A
P
E
Y
L
V
H
S
K
T
G
F
-
S
GVG
T
E
S
N
P
G
V
A
W
W
V
G
W
V
E
K
E
T
-
E
V
Y
F
F
A
F
N
M
D
I
D
-
N
E
S
K
L
P
L
R
K
S
I
P
T
K
I
M
E
S
E
G
I
I
-
66
PsiBlast_CBE
85.19
35%
-94
- C3 -
2RL3
9
BLO10_PSEAI
A:
[5-246]
---------------
T
E
N
T
S
W
N
------
K
E
F
S
A
E
A
V
N
G
V
F
V
L
C
K
S
S
S
K
S
C
A
--
T
N
D
L
A
R
A
S
K
E
Y
L
P
A
S
T
F
K
I
P
N
A
I
I
G
L
E
T
G
V
I
K
N
E
H
Q
V
F
K
W
D
G
K
P
R
A
M
K
Q
W
E
R
D
L
T
L
R
G
A
I
Q
V
S
A
V
P
V
F
Q
Q
I
A
R
E
V
G
E
V
R
M
Q
K
Y
L
K
K
F
S
Y
G
N
Q
N
I
S
G
G
I
D
K
F
H
L
E
G
Q
L
R
I
S
A
V
N
Q
V
E
F
L
E
S
L
Y
L
N
K
L
S
A
S
K
E
N
Q
L
I
V
K
E
A
L
V
T
E
A
A
P
E
Y
L
V
H
S
K
T
G
F
-
S
GVG
T
E
S
N
P
G
V
A
W
W
V
G
W
V
E
K
E
T
-
E
V
Y
F
F
A
F
N
M
D
I
D
-
N
E
S
K
L
P
L
R
K
S
I
P
T
K
I
M
E
S
E
G
I
I
-
56
PsiBlast_CBE
84.54
35%
-91
- C3 -
2WKI
12
BLO10_PSEAI
A:
[5-246]
---------------
T
E
N
T
S
W
N
------
K
E
F
S
A
E
A
V
N
G
V
F
V
L
C
K
S
S
S
K
S
C
A
--
T
N
D
L
A
R
A
S
K
E
Y
L
P
A
S
T
F
C
I
P
N
A
I
I
G
L
E
T
G
V
I
K
N
E
H
Q
V
F
K
W
D
G
K
P
R
A
M
K
Q
W
E
R
D
L
T
L
R
G
A
I
Q
V
S
A
V
P
V
F
Q
Q
I
A
R
E
V
G
E
V
R
M
Q
K
Y
L
K
K
F
S
Y
G
N
Q
N
I
S
G
G
I
D
K
F
W
L
E
G
Q
L
R
I
S
A
V
N
Q
V
E
F
L
E
S
L
Y
L
N
K
L
S
A
S
K
E
N
Q
L
I
V
K
E
A
L
V
T
E
A
A
P
E
Y
L
V
H
S
K
T
G
F
-
S
GVG
T
E
S
N
P
G
V
A
W
W
V
G
W
V
E
K
E
T
-
E
V
Y
F
F
A
F
N
M
D
I
D
-
N
E
S
K
L
P
L
R
K
S
I
P
T
K
I
M
E
S
E
G
I
I
-
58
PsiBlast_CBE
84.09
35%
-94
- C3 -
2WKH
3
BLO10_PSEAI
A:
[5-246]
---------------
T
E
N
T
S
W
N
------
K
E
F
S
A
E
A
V
N
G
V
F
V
L
C
K
S
S
S
K
S
C
A
--
T
N
D
L
A
R
A
S
K
E
Y
L
P
A
S
T
F
C
I
P
N
A
I
I
G
L
E
T
G
V
I
K
N
E
H
Q
V
F
K
W
D
G
K
P
R
A
M
K
Q
W
E
R
D
L
T
L
R
G
A
I
Q
V
S
A
V
P
V
F
Q
Q
I
A
R
E
V
G
E
V
R
M
Q
K
Y
L
K
K
F
S
Y
G
N
Q
N
I
S
G
G
I
D
K
F
W
L
E
G
Q
L
R
I
S
A
V
N
Q
V
E
F
L
E
S
L
Y
L
N
K
L
S
A
S
K
E
N
Q
L
I
V
K
E
A
L
V
T
E
A
A
P
E
Y
L
V
H
S
K
T
G
F
-
S
GVG
T
E
S
N
P
G
V
A
W
W
V
G
W
V
E
K
E
T
-
E
V
Y
F
F
A
F
N
M
D
I
D
-
N
E
S
K
L
P
L
R
K
S
I
P
T
K
I
M
E
S
E
G
I
I
-
89
PsiBlast_CBE
83.59
35%
-90
- C3 -
3IF6
7
?
B:
[33-264]
----------------------------
K
F
F
S
D
L
Q
A
E
G
A
I
V
I
A
D
E
R
Q
A
K
H
T
L
S
V
F
D
Q
E
R
A
A
K
R
Y
S
P
A
S
T
F
K
I
P
H
T
L
F
A
L
D
A
D
A
V
R
D
E
F
Q
V
F
R
W
D
G
V
N
R
S
F
A
G
H
N
Q
D
Q
D
L
R
S
A
M
R
N
S
T
V
W
V
Y
E
L
F
A
K
D
I
G
E
D
K
A
R
R
Y
L
K
Q
I
D
Y
G
N
V
D
P
S
T
I
K
G
D
Y
W
I
D
G
N
L
K
I
S
A
H
E
Q
I
L
F
L
R
K
L
Y
R
N
Q
L
P
F
K
V
E
H
Q
R
L
V
K
D
L
M
I
T
E
A
G
R
S
W
I
L
R
A
K
T
G
W
--------
E
G
R
F
G
W
W
V
G
W
I
E
W
P
T
-
G
P
V
F
F
A
L
N
I
D
T
P
N
R
T
D
D
L
F
K
R
E
A
I
A
R
A
I
L
R
S
I
D
A
L
P
68
PsiBlast_CBE
78.98
35%
-92
- C3 -
2WGI
1
BLO10_PSEAI
A:
[5-246]
---------------
T
E
N
T
S
W
N
------
K
E
F
S
A
E
A
V
N
G
V
F
V
L
C
K
S
S
S
K
S
C
A
--
T
N
D
L
A
R
A
S
K
E
Y
L
P
A
S
T
F
K
I
P
N
A
I
I
G
L
E
T
G
V
I
K
N
E
H
Q
V
F
K
W
D
G
K
P
R
A
M
K
Q
W
E
R
D
L
T
L
R
G
A
I
Q
V
S
A
V
P
V
F
Q
Q
I
A
R
E
V
G
E
V
R
M
Q
K
Y
L
K
K
F
S
Y
G
N
----------
A
L
E
G
Q
L
R
I
S
A
V
N
Q
V
E
F
L
E
S
L
Y
L
N
K
L
S
A
S
K
E
N
Q
L
I
V
K
E
A
L
V
T
E
A
A
P
E
Y
L
V
H
S
K
T
G
F
-
S
G
V
G
T
E
S
N
P
G
V
A
W
W
V
G
W
V
E
K
E
T
-
E
V
Y
F
F
A
F
N
M
D
I
D
-
N
E
S
K
L
P
L
R
K
S
I
P
T
K
I
M
E
S
E
G
I
I
-
62
PsiBlast_CBE
77.04
37%
-91
- C3 -
1H8Y
4
?
A:
[1-222]
------------
S
S
I
T
E
N
T
S
W
N
------
K
E
F
S
A
E
A
V
N
G
V
F
V
L
C
K
S
S
S
K
S
C
A
--
T
N
N
L
A
R
A
S
K
E
Y
L
P
A
S
T
F
K
I
P
S
A
I
I
G
L
E
T
G
V
I
K
N
E
H
Q
V
F
K
W
D
G
K
P
R
A
M
K
Q
W
E
R
D
L
S
L
R
G
A
I
Q
V
S
A
V
P
V
F
Q
Q
I
A
R
E
V
G
E
V
R
M
Q
K
Y
L
K
K
F
S
Y
G
N
Q
N
I
S
G
G
I
D
K
F
W
L
E
G
Q
L
R
I
S
A
V
N
Q
V
E
F
L
E
S
L
F
L
N
K
L
S
A
S
K
E
N
Q
L
I
V
K
E
A
L
V
T
E
A
A
P
E
Y
L
V
H
S
K
T
G
F
-
S
GVG
T
E
S
N
P
G
V
A
W
W
V
G
W
V
E
K
G
T
-
E
V
Y
F
F
A
F
N
M
D
I
-------------------------
61
PsiBlast_CBE
76.42
37%
-91
- C3 -
1H8Y
4
?
B:
[1-222]
------------
S
S
I
T
E
N
T
S
W
N
------
K
E
F
S
A
E
A
V
N
G
V
F
V
L
C
K
S
S
S
K
S
C
A
--
T
N
N
L
A
R
A
S
K
E
Y
L
P
A
S
T
F
K
I
P
S
A
I
I
G
L
E
T
G
V
I
K
N
E
H
Q
V
F
K
W
D
G
K
P
R
A
M
K
Q
W
E
R
D
L
S
L
R
G
A
I
Q
V
S
A
V
P
V
F
Q
Q
I
A
R
E
V
G
E
V
R
M
Q
K
Y
L
K
K
F
S
Y
G
N
Q
N
I
S
G
G
I
D
K
F
W
L
E
G
Q
L
R
I
S
A
V
N
Q
V
E
F
L
E
S
L
F
L
N
K
L
S
A
S
K
E
N
Q
L
I
V
K
E
A
L
V
T
E
A
A
P
E
Y
L
V
H
S
K
T
G
F
-
S
GVG
T
E
S
N
P
G
V
A
W
W
V
G
W
V
E
K
G
T
-
E
V
Y
F
F
A
F
N
M
D
I
-------------------------
63
PsiBlast_CBE
75.84
37%
-98
- C3 -
1H5X
4
?
B:
[2-222]
-------------
S
I
T
E
N
T
S
W
N
------
K
E
F
S
A
E
A
V
N
G
V
F
V
L
C
K
S
S
S
K
S
C
A
--
T
N
N
L
A
R
A
S
K
E
Y
L
P
A
S
T
F
K
I
P
S
A
I
I
G
L
E
T
G
V
I
K
N
E
H
Q
V
F
K
W
D
------------
L
S
L
R
G
A
I
Q
V
S
A
V
P
V
F
Q
Q
I
A
R
E
V
G
E
V
R
M
Q
K
Y
L
K
K
F
S
Y
G
N
Q
N
I
S
G
G
I
D
K
F
W
L
E
G
Q
L
R
I
S
A
V
N
Q
V
E
F
L
E
S
L
F
L
N
K
L
S
A
S
K
E
N
Q
L
I
V
K
E
A
L
V
T
E
A
A
P
E
Y
L
V
H
S
K
T
G
F
-
S
GVG
T
E
S
N
P
G
V
A
W
W
V
G
W
V
E
K
G
T
-
E
V
Y
F
F
A
F
N
M
D
I
-------------------------
64
PsiBlast_CBE
74.65
37%
-95
- C3 -
1H5X
5
?
A:
[2-222]
-------------
S
I
T
E
N
T
S
W
N
------
K
E
F
S
A
E
A
V
N
G
V
F
V
L
C
K
S
S
S
K
S
C
A
--
T
N
N
L
A
R
A
S
K
E
Y
L
P
A
S
T
F
K
I
P
S
A
I
I
G
L
E
T
G
V
I
K
N
E
H
Q
V
F
---------
K
Q
W
E
R
D
L
S
L
R
G
A
I
Q
V
S
A
V
P
V
F
Q
Q
I
A
R
E
V
G
E
V
R
M
Q
K
Y
L
K
K
F
S
Y
G
N
Q
N
I
S
G
G
I
D
K
F
W
L
E
G
Q
L
R
I
S
A
V
N
Q
V
E
F
L
E
S
L
F
L
N
K
L
S
A
S
K
E
N
Q
L
I
V
K
E
A
L
V
T
E
A
A
P
E
Y
L
V
H
S
K
T
G
F
-
S
GVG
T
E
S
N
P
G
V
A
W
W
V
G
W
V
E
K
G
T
-
E
V
Y
F
F
A
F
N
M
D
I
-------------------------