@TOME V2.3
(Nov 2016)
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 : SA0679: (2016-03-17 )
MKEQLNQLSAYQPGLSPRALKEKYGIEGDLYKLASNENLYGPSPKVKEAISAHLDELYYYPETGSPTLKAAISKHLNVDQSRILFGAGLDEVILMISRAVLTPGDTIVTSEATFGQYYHNAIVESANVIQVPLKDGGFDLEGILKEVNEDTSLVWLCNPNNPTGTYFNHESLDSFLSQVPPHVPVIIDEAYFEFVTAEDYPDTLALQQKYDNAFLLRTFSKAYGLAGLRVGYVVASEHAIEKWNIIRPPFNVTRISEYAAVAALEDQQYLKEVTHKNSVERERFYQLPQSEYFLPSQTNFIFVKTKRVNELYEALLNVGCITRPFPTGVRITIGFKEQNDKMLEVLSNFKYE
Atome Classification :
(20 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.......340.......350
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
K
E
Q
L
N
Q
L
S
AYQPGLS
P
R
A
L
K
E
KYGIE-G
D
L
Y
KLASNENLYG-PS
P
K
V
K
E
A
I
S
A
-
H
L
D
----
E
L
Y
YYPET-GS
P
T
L
K
A
A
I
S
K
HLN------VD---Q-S
R
I
L
FGA
G
L
D
E
V
I
----
L
M
I
S
R
A
VLTPG
D
T
I
V
TSE
A
T
F
G
Q
Y
Y
H
N
A
I
VESA
N
V
I
Q
V
PL-K-D-GGF
D
L
-
E
G
I
L
K
E
VN---ED-T
S
L
V
W
L
CNPNNPTGTYF
N
H
E
S
L
D
S
F
L
S
QV-PP--HV
P
V
I
I
D
E
A
Y
F
E
F
V
TAED---YP
D
T
L
A
---
L
-
Q
Q
-KYDN
A
F
L
L
R
T
F
S
K
A
YGLA
G
L
R
V
G
Y
V
V
ASEH-AIEK
W
N
IIRPPF
N
V
T
R
I
S
E
Y
A
A
V
A
AL
E
D
Q
Q
Y
L
K
E
V
--THKNSV
E
R
-
E
R
F
Y-Q-LP
Q
--
S
E--YF--L--P-S-QT
N
F
I
--
F
V
--
K
--
T
K
--
R
--
V
N
E
L
Y
E
A
L
L
NVGCITRP-----FPT-------
G
V
R
I
T
I
G
FKEQN
D
K
M
L
E
V
L
SNFKYE
21
PsiBlast_CBE
92.70
34%
-93
- C1 -
4R5Z
9
?
D:
[6-353]
L
R
P
E
L
A
G
L
P
V
Y
V
P
G
K
T
---------
V
P
-
G
A
I
-
K
L
A
S
N
E
T
V
F
G
-
P
L
P
S
V
R
A
A
I
D
R
-
A
T
D
----
T
V
N
R
Y
P
D
N
-
G
C
V
Q
L
K
A
A
L
A
R
H
L
G
------
P
D
FA-
P
-
E
H
V
A
V
G
C
G
S
V
S
L
C
----
Q
Q
L
V
Q
V
T
A
S
V
G
D
E
V
V
F
G
W
R
S
F
E
L
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
L
-
T
-
D
-
H
T
F
D
L
-
Y
A
M
L
A
T
V
T
---
D
R
-
T
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
V
-
P
A
--
H
I
L
I
A
I
D
E
A
Y
V
E
Y
I
R
D
G
M
---
R
P
D
S
L
G
---
L
-
V
R
-
A
H
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
-
V
I
T
A
L
D
K
V
Y
V
P
F
T
V
S
S
I
G
Q
A
A
A
I
A
S
L
D
A
A
D
E
L
L
A
R
--
T
D
T
V
V
A
E
R
-
A
R
V
S
-
A
-
E
L
R
--
A
A
--
G
F
--
T
LP
P
-
S
-
Q
A
N
F
V
--
W
L
--
P
L-
G
S
--
R
--
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
-----
Y
G
T
D------
G
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
1
PsiBlast_PDB
92.64
36%
-107
- C1 -
3FFH
4
HIS8_LISIN
A:
[7-362]
-
K
K
S
L
A
G
L
S
S
----
K
R
E
E
E
V
M
A
E
L
G
L
T
--
K
I
T
K
L
S
S
N
E
N
P
L
G
-
T
S
K
K
V
A
A
I
Q
A
N
-
S
S
V
----
E
T
E
I
Y
-----
A
S
S
L
R
K
E
V
A
D
F
Y
Q
------
L
E
---
E
-
E
E
L
I
F
T
A
G
V
D
E
L
I
----
E
L
L
T
R
V
L
L
D
T
T
T
N
T
V
M
A
T
P
T
F
V
Q
Y
R
Q
N
A
L
I
E
G
A
E
V
R
E
I
P
L
L
Q
-
D
-
G
E
H
D
L
-
E
G
M
L
N
A
I
D
---
E
K
-
T
T
I
V
W
I
C
N
P
N
N
P
T
G
N
Y
I
E
L
A
D
I
Q
A
F
L
D
R
V
-
P
S
--
D
V
L
V
V
L
D
E
A
Y
I
E
Y
V
T
P
Q
P
---
E
K
H
E
-
K
---
L
-
V
R
-
T
Y
K
N
L
I
I
T
R
T
F
S
K
I
Y
G
L
A
S
A
R
V
G
Y
G
I
A
D
K
E
-
I
I
R
Q
L
N
I
V
R
P
P
F
N
T
T
S
I
G
Q
K
L
A
I
E
A
I
K
D
Q
A
F
I
G
E
C
R
T
S
N
A
N
G
I
K
Q
Y
E
A
F
A
-
K
-
R
F
E
--
K
V
--
K
L
--
Y
--
P
-
A
-
N
G
N
F
V
--
L
I
--
D
--
L
G
I-
E
--
A
G
T
I
F
S
Y
L
E
K
N
G
Y
I
T
R
S
GAALG
F
P
T
-------
A
V
R
I
T
I
G
K
E
E
D
N
S
A
V
I
A
L
L
E
K
L
---
38
HHSearch
91.92
37%
-105
- C1 -
3FFH
4
HIS8_LISIN
A:
[10-362]
----
L
A
G
L
S
S
----
K
R
E
E
E
V
M
A
E
L
G
L
--
T
K
I
T
K
L
S
S
N
E
N
P
L
G
-
T
S
K
K
V
A
A
I
Q
A
N
-
S
S
V
----
E
T
E
I
Y
----
A
S
-
S
L
R
K
E
V
A
D
F
Y
Q
------
L
E
---
E
-
E
E
L
I
F
T
A
G
V
D
E
L
I
----
E
L
L
T
R
V
L
L
D
T
T
T
N
T
V
M
A
T
P
T
F
V
Q
Y
R
Q
N
A
L
I
E
G
A
E
V
R
E
I
P
L
-
L
Q
D
-
G
E
H
D
L
-
E
G
M
L
N
A
I
D
---
E
K
-
T
T
I
V
W
I
C
N
P
N
N
P
T
G
N
Y
I
E
L
A
D
I
Q
A
F
L
D
R
V
-
P
S
--
D
V
L
V
V
L
D
E
A
Y
I
E
Y
V
T
P
Q
P
---
E
-
K
H
E
K
---
L
-
V
R
-
T
Y
K
N
L
I
I
T
R
T
F
S
K
I
Y
G
L
A
S
A
R
V
G
Y
G
I
A
D
K
E
-
I
I
R
Q
L
N
I
V
R
P
P
F
N
T
T
S
I
G
Q
K
L
A
I
E
A
I
K
D
Q
A
F
I
G
E
C
--
R
T
S
N
A
N
G
I
-
K
Q
Y
E
A
F
-
A
K
R
F
E
K
V
--
K
L
--
Y
--
P
-
A
-
N
G
N
F
V
--
L
I
--
D
--
L
G
I-
E
--
A
G
T
I
F
S
Y
L
E
K
N
G
Y
I
T
R
S
-----
G
A
A
LGFPT--
A
V
R
I
T
I
G
K
E
E
D
N
S
A
V
I
A
L
L
E
K
L
---
23
PsiBlast_CBE
91.34
34%
-91
- C1 -
4R5Z
13
?
B:
[6-353]
L
R
P
E
L
A
G
L
P
V
Y
V
P
G
K
T
---------
V
P
-
G
A
I
-
K
L
A
S
N
E
T
V
F
G
-
P
L
P
S
V
R
A
A
I
D
R
-
A
T
D
----
T
V
N
R
Y
P
D
N
-
G
C
V
Q
L
K
A
A
L
A
R
H
L
G
------
P
D
FA-
P
-
E
H
V
A
V
G
C
G
S
V
S
L
C
----
Q
Q
L
V
Q
V
T
A
S
V
G
D
E
V
V
F
G
W
R
S
F
E
L
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
L
-
T
-
D
-
H
T
F
D
L
-
Y
A
M
L
A
T
V
T
---
D
R
-
T
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
V
-
P
A
--
H
I
L
I
A
I
D
E
A
Y
V
E
Y
I
R
D
G
M
---
R
P
D
S
L
G
---
L
-
V
R
-
A
H
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
-
V
I
T
A
L
D
K
V
Y
V
P
F
T
V
S
S
I
G
Q
A
A
A
I
A
S
L
D
A
A
D
E
L
L
A
R
--
T
D
T
V
V
A
E
R
-
A
R
V
S
-
A
-
E
L
R
--
A
A
--
G
F
--
T
LP
P
-
S
-
Q
A
N
F
V
--
W
L
--
P
L-
G
S
--
R
--
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
-----
Y
G
T
D------
G
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
25
PsiBlast_CBE
91.03
34%
-94
- C1 -
4R2N
5
?
C:
[6-353]
L
R
P
E
L
A
G
L
P
V
Y
V
P
G
K
T
---------
V
P
-
G
A
I
-
K
L
A
S
N
E
T
V
F
G
-
P
L
P
S
V
R
A
A
I
D
R
-
A
T
D
----
T
V
N
R
Y
P
D
N
-
G
C
V
Q
L
K
A
A
L
A
R
H
L
G
------
P
D
FA-
P
-
E
H
V
A
V
G
C
G
S
V
S
L
C
----
Q
Q
L
V
Q
V
T
A
S
V
G
D
E
V
V
F
G
W
R
S
F
E
L
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
L
-
T
-
D
-
H
T
F
D
L
-
Y
A
M
L
A
T
V
T
---
D
R
-
T
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
V
-
P
A
--
H
I
L
I
A
I
D
E
A
Y
V
E
Y
I
R
D
G
M
---
R
P
D
S
L
G
---
L
-
V
R
-
A
H
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
-
V
I
T
A
L
D
K
V
Y
V
P
F
T
V
S
S
I
G
Q
A
A
A
I
A
S
L
D
A
A
D
E
L
L
A
R
--
T
D
T
V
V
A
E
R
-
A
R
V
S
-
A
-
E
L
R
--
A
A
--
G
F
--
T
LP
P
-
S
-
Q
A
N
F
V
--
W
L
--
P
L-
G
S
--
R
--
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
-----
Y
G
T
D------
G
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
26
PsiBlast_CBE
90.69
34%
-93
- C1 -
4R2N
5
?
B:
[6-353]
L
R
P
E
L
A
G
L
P
V
Y
V
P
G
K
T
---------
V
P
-
G
A
I
-
K
L
A
S
N
E
T
V
F
G
-
P
L
P
S
V
R
A
A
I
D
R
-
A
T
D
----
T
V
N
R
Y
P
D
N
-
G
C
V
Q
L
K
A
A
L
A
R
H
L
G
------
P
D
FA-
P
-
E
H
V
A
V
G
C
G
S
V
S
L
C
----
Q
Q
L
V
Q
V
T
A
S
V
G
D
E
V
V
F
G
W
R
S
F
E
L
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
L
-
T
-
D
-
H
T
F
D
L
-
Y
A
M
L
A
T
V
T
---
D
R
-
T
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
V
-
P
A
--
H
I
L
I
A
I
D
E
A
Y
V
E
Y
I
R
D
G
M
---
R
P
D
S
L
G
---
L
-
V
R
-
A
H
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
-
V
I
T
A
L
D
K
V
Y
V
P
F
T
V
S
S
I
G
Q
A
A
A
I
A
S
L
D
A
A
D
E
L
L
A
R
--
T
D
T
V
V
A
E
R
-
A
R
V
S
-
A
-
E
L
R
--
A
A
--
G
F
--
T
LP
P
-
S
-
Q
A
N
F
V
--
W
L
--
P
L-
G
S
--
R
--
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
-----
Y
G
T
D------
G
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
22
PsiBlast_CBE
90.48
34%
-93
- C1 -
4R5Z
10
?
C:
[6-353]
L
R
P
E
L
A
G
L
P
V
Y
V
P
G
K
T
---------
V
P
-
G
A
I
-
K
L
A
S
N
E
T
V
F
G
-
P
L
P
S
V
R
A
A
I
D
R
-
A
T
D
----
T
V
N
R
Y
P
D
N
-
G
C
V
Q
L
K
A
A
L
A
R
H
L
G
------
P
D
FA-
P
-
E
H
V
A
V
G
C
G
S
V
S
L
C
----
Q
Q
L
V
Q
V
T
A
S
V
G
D
E
V
V
F
G
W
R
S
F
E
L
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
L
-
T
-
D
-
H
T
F
D
L
-
Y
A
M
L
A
T
V
T
---
D
R
-
T
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
V
-
P
A
--
H
I
L
I
A
I
D
E
A
Y
V
E
Y
I
R
D
G
M
---
R
P
D
S
L
G
---
L
-
V
R
-
A
H
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
-
V
I
T
A
L
D
K
V
Y
V
P
F
T
V
S
S
I
G
Q
A
A
A
I
A
S
L
D
A
A
D
E
L
L
A
R
--
T
D
T
V
V
A
E
R
-
A
R
V
S
-
A
-
E
L
R
--
A
A
--
G
F
--
T
LP
P
-
S
-
Q
A
N
F
V
--
W
L
--
P
L-
G
S
--
R
--
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
-----
Y
G
T
D------
G
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
2
PsiBlast_PDB
90.20
34%
-95
- C1 -
4R2N
6
?
A:
[6-353]
L
R
P
E
L
A
G
L
P
V
Y
V
P
G
K
T
---------
V
P
-
G
A
I
-
K
L
A
S
N
E
T
V
F
G
-
P
L
P
S
V
R
A
A
I
D
R
-
A
T
D
----
T
V
N
R
Y
P
D
N
-
G
C
V
Q
L
K
A
A
L
A
R
H
L
G
------
P
D
FA-
P
-
E
H
V
A
V
G
C
G
S
V
S
L
C
----
Q
Q
L
V
Q
V
T
A
S
V
G
D
E
V
V
F
G
W
R
S
F
E
L
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
L
-
T
-
D
-
H
T
F
D
L
-
Y
A
M
L
A
T
V
T
---
D
R
-
T
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
V
-
P
A
--
H
I
L
I
A
I
D
E
A
Y
V
E
Y
I
R
D
G
M
---
R
P
D
S
L
G
---
L
-
V
R
-
A
H
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
-
V
I
T
A
L
D
K
V
Y
V
P
F
T
V
S
S
I
G
Q
A
A
A
I
A
S
L
D
A
A
D
E
L
L
A
R
--
T
D
T
V
V
A
E
R
-
A
R
V
S
-
A
-
E
L
R
--
A
A
--
G
F
--
T
L
P
P
-
S
-
Q
A
N
F
V
--
W
L
--
P
L-
G
S
--
R
--
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
-----
Y
G
T
D------
G
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
3
PsiBlast_PDB
90.10
34%
-92
- C1 -
4R5Z
12
?
A:
[6-353]
L
R
P
E
L
A
G
L
P
V
Y
V
P
G
K
T
---------
V
P
-
G
A
I
-
K
L
A
S
N
E
T
V
F
G
-
P
L
P
S
V
R
A
A
I
D
R
-
A
T
D
----
T
V
N
R
Y
P
D
N
-
G
C
V
Q
L
K
A
A
L
A
R
H
L
G
------
P
D
FA-
P
-
E
H
V
A
V
G
C
G
S
V
S
L
C
----
Q
Q
L
V
Q
V
T
A
S
V
G
D
E
V
V
F
G
W
R
S
F
E
L
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
L
-
T
-
D
-
H
T
F
D
L
-
Y
A
M
L
A
T
V
T
---
D
R
-
T
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
V
-
P
A
--
H
I
L
I
A
I
D
E
A
Y
V
E
Y
I
R
D
G
M
---
R
P
D
S
L
G
---
L
-
V
R
-
A
H
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
-
V
I
T
A
L
D
K
V
Y
V
P
F
T
V
S
S
I
G
Q
A
A
A
I
A
S
L
D
A
A
D
E
L
L
A
R
--
T
D
T
V
V
A
E
R
-
A
R
V
S
-
A
-
E
L
R
--
A
A
--
G
F
--
T
L
P
P
-
S
-
Q
A
N
F
V
--
W
L
--
P
L-
G
S
--
R
--
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
-----
Y
G
T
D------
G
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
24
PsiBlast_CBE
89.68
34%
-93
- C1 -
4R2N
5
?
D:
[6-353]
L
R
P
E
L
A
G
L
P
V
Y
V
P
G
K
T
---------
V
P
-
G
A
I
-
K
L
A
S
N
E
T
V
F
G
-
P
L
P
S
V
R
A
A
I
D
R
-
A
T
D
----
T
V
N
R
Y
P
D
N
-
G
C
V
Q
L
K
A
A
L
A
R
H
L
G
------
P
D
FA-
P
-
E
H
V
A
V
G
C
G
S
V
S
L
C
----
Q
Q
L
V
Q
V
T
A
S
V
G
D
E
V
V
F
G
W
R
S
F
E
L
Y
P
P
Q
V
R
V
A
G
A
I
P
I
Q
V
P
L
-
T
-
D
-
H
T
F
D
L
-
Y
A
M
L
A
T
V
T
---
D
R
-
T
R
L
I
F
V
C
N
P
N
N
P
T
S
T
V
V
G
P
D
A
L
A
R
F
V
E
A
V
-
P
A
--
H
I
L
I
A
I
D
E
A
Y
V
E
Y
I
R
D
G
M
---
R
P
D
S
L
G
---
L
-
V
R
-
A
H
N
N
V
V
V
L
R
T
F
S
K
A
Y
G
L
A
G
L
R
I
G
Y
A
I
G
H
P
D
-
V
I
T
A
L
D
K
V
Y
V
P
F
T
V
S
S
I
G
Q
A
A
A
I
A
S
L
D
A
A
D
E
L
L
A
R
--
T
D
T
V
V
A
E
R
-
A
R
V
S
-
A
-
E
L
R
--
A
A
--
G
F
--
T
LP
P
-
S
-
Q
A
N
F
V
--
W
L
--
P
L-
G
S
--
R
--
T
Q
D
F
V
E
Q
A
A
D
A
R
I
V
V
R
P
-----
Y
G
T
D------
G
V
R
V
T
V
A
A
P
E
E
N
D
A
F
L
R
F
A
R
R
W
R
S
D
37
HHSearch
86.67
32%
-96
- C1 -
3GET
2
HIS8_CAMJE
A:
[8-364]
----
L
N
N
L
S
N
Y
E
P
G
K
D
I
E
V
I
A
K
E
Y
G
V
--
K
E
V
I
K
L
A
S
N
E
N
P
F
G
-
T
P
P
K
A
I
E
C
L
R
Q
-
N
A
N
----
K
A
H
L
Y
P
D
D
S
M
I
-
E
L
K
S
T
L
A
Q
K
Y
K
------
V
Q
---
N
-
E
N
I
I
I
G
A
G
S
D
Q
V
I
----
E
F
A
I
H
S
K
L
N
S
K
N
A
F
L
Q
A
G
V
T
F
A
M
Y
E
I
Y
A
K
Q
C
G
A
K
C
Y
K
T
Q
S
-----
I
T
H
N
L
-
D
E
F
K
K
L
Y
E
T
H
K
D
E
-
I
K
L
I
F
L
C
L
P
N
N
P
L
G
E
C
L
D
A
S
E
A
T
E
F
I
K
G
V
-
N
E
--
D
C
L
V
V
I
D
A
A
Y
N
E
F
A
S
F
K
D
SKK
H
L
E
P
C
E
---
L
-
I
K
-
E
F
D
N
V
L
Y
L
G
T
F
S
K
L
Y
G
L
G
G
L
R
I
G
Y
G
I
A
N
A
N
-
I
I
S
A
F
Y
K
L
R
A
P
F
N
V
S
N
L
A
L
K
A
A
V
A
A
M
D
D
D
E
F
T
E
K
T
--
L
E
N
N
F
S
Q
M
-
E
L
Y
K
E
F
-
A
K
K
H-
N
I
--
K
I
--
I
--
D
-
S
-
Y
T
N
F
I
--
T
Y
--
F
--
F
D
EK
N
--
S
T
D
L
S
E
K
L
L
K
K
G
I
I
I
R
N
-----
L
K
S
YGL
N
---
A
I
R
I
T
I
G
T
S
Y
E
N
E
K
F
F
T
E
F
D
K
I
L
--
9
PsiBlast_PDB
83.77
29%
-95
- C1 -
3HDO
1
HIS8_GEOMG
A:
[6-348]
L
R
Q
N
I
A
S
M
K
G
Y
I
P
G
Y
Q
P
P
D
I
--------
A
S
W
I
K
L
N
T
N
E
N
P
Y
P
-
P
S
P
E
V
V
K
A
I
L
E
-
E
L
G
PDGA
A
L
R
I
Y
P
S
A
-
S
S
Q
K
L
R
E
V
A
G
E
L
Y
G
------
F
D
---
P
-
S
W
I
I
M
A
N
G
S
D
E
V
L
----
N
N
L
I
R
A
F
A
A
E
G
E
E
I
G
Y
V
H
P
S
Y
S
Y
Y
G
T
L
A
E
V
Q
G
A
R
V
R
T
F
G
L
-
T
---
G
D
F
R
I
-
A
G
F
P
E
R
Y
-----
E
-
G
K
V
F
F
L
T
T
P
N
A
P
L
G
P
S
F
P
L
E
Y
I
D
E
L
A
R
R
C
-
A
G
--
M
L
--
V
L
D
E
T
Y
A
E
F
A
E
S
-------
N
A
L
E
---
L
-
V
R
-
R
H
E
N
V
V
V
T
R
T
L
S
K
S
Y
S
L
A
G
M
R
I
G
L
A
I
A
R
P
E
-
V
I
A
A
L
D
K
I
R
D
H
Y
N
L
D
R
L
A
Q
A
A
C
V
A
A
L
R
D
Q
A
Y
L
S
E
C
--
C
R
R
I
R
E
T
R
-
E
W
F
T
-
T
-
E
L
R
--
S
I
--
G
Y
D
V
I
--
P
-
S
-
Q
G
N
Y
L
--
F
A
--
T
PP
D
R
--
D
--
G
K
R
V
Y
D
G
L
Y
A
R
K
V
L
V
R
H
-----
F
S
D
PLLAH--
G
M
R
I
S
I
G
T
R
E
E
M
E
Q
T
L
A
A
L
------
41
HHSearch
80.66
27%
-94
- C1 -
3LY1
10
?
A:
[16-351]
----------------------------
D
N
P
I
R
I
N
F
N
E
N
P
L
G
-
M
S
P
K
A
Q
A
A
A
R
D
-
A
V
V
----
K
A
N
R
Y
A
K
N
E
I
L
-
M
L
G
N
K
L
A
A
H
H
Q
------
V
E
---
A
-
P
S
I
L
L
T
A
G
S
S
E
G
I
----
R
A
A
I
E
A
Y
A
S
L
E
A
Q
L
V
I
P
E
L
T
Y
G
D
G
E
H
F
A
K
I
A
G
M
K
V
T
K
V
K
M
L
D
-
N
-
W
A
F
D
I
-
E
G
L
K
A
A
V
A
A
Y-
S
G
-
P
S
I
V
Y
L
V
N
P
N
N
P
T
G
T
I
T
P
A
D
V
I
E
P
W
I
A
S
K
-
P
A
--
N
T
M
F
I
V
D
E
A
Y
A
E
F
V
N
D
P
R
---
F
R
S
I
S
P
---
M
I
T
Q
-
G
A
E
N
I
I
L
L
K
T
F
S
K
I
H
A
M
A
G
M
R
V
G
Y
A
V
A
H
P
T
-
V
I
A
L
M
G
R
Y
V
A
G
E
K
I
N
F
S
G
V
D
A
A
L
A
S
M
N
D
S
A
F
I
T
Y
S
--
K
K
S
N
D
V
S
R
-
Q
I
L
L
K
A
-
L
E
D
L
-
K
L
--
P
Y
--
L
--
P
-
S
-
E
G
N
F
V
--
F
H
--
Q
--
L
V
--
V
P-
L
K
D
Y
Q
T
H
M
A
D
A
G
V
L
I
G
R
-----
A
F
P
PADN---
W
C
R
I
S
L
G
T
P
Q
E
M
Q
W
V
A
D
T
M
R
E
F
R
K
K
43
HHSearch
79.53
28%
-104
- C1 -
3EUC
10
HIS82_CUPPJ
A:
[30-366]
----------------------------
H
G
L
V
K
L
D
A
M
E
N
P
Y
R
-
L
P
P
A
L
R
S
E
L
A
A
-
R
L
G
E
V
--
A
L
N
R
Y
P
V
P
S
S
E
-
A
L
R
A
K
L
K
E
V
M
Q
------
V
P
---
A
G
M
E
V
L
L
G
N
G
S
D
E
I
I
----
S
M
L
A
L
A
A
A
R
P
G
A
K
V
M
A
P
V
P
G
F
V
M
Y
A
M
S
A
Q
F
A
G
L
E
F
V
G
V
P
L
-
R
A
D
-
F
T
L
D
R
-
G
A
M
L
A
A
M
A
E
--
H
Q
-
P
A
I
V
Y
L
A
Y
P
N
N
P
T
G
N
L
F
D
A
A
D
M
E
A
I
V
R
A
A
Q
G
S
V
C
R
S
L
V
V
V
D
E
A
Y
Q
P
F
A
Q
E
S
W
-------
M
S
---
R
-
L
T
-
D
F
G
N
L
L
V
M
R
T
V
S
K
-
L
G
L
A
G
I
R
L
G
Y
V
A
G
D
P
Q
-
W
L
E
Q
L
D
K
V
R
P
P
Y
N
V
N
V
L
T
E
A
T
A
L
F
A
L
E
H
V
A
V
L
D
E
Q
--
A
A
Q
L
R
A
E
R
-
S
R
V
A
E
G
-
M
A
A
HG
G
V
--
T
V
--
F
--
P
-
S
-
A
A
N
F
L
--
L
A
--
R
--
V
P
--
D
--
A
A
Q
T
F
D
R
L
L
A
R
K
V
L
I
K
N
-----
V
S
K
MHPLLAN
C
L
R
V
T
V
S
T
P
E
E
N
A
Q
F
L
E
A
F
A
A
S
L
Q
-
39
HHSearch
78.89
32%
-89
- C1 -
3HDO
2
HIS8_GEOMG
A:
[26-353]
----------------------------
A
S
W
I
K
L
N
T
N
E
N
P
Y
P
-
P
S
P
E
V
V
K
A
I
L
E
-
E
L
G
PDGA
A
L
R
I
Y
P
S
A
S
S
Q
-
K
L
R
E
V
A
G
E
L
Y
G
------
F
D
---
P
-
S
W
I
I
M
A
N
G
S
D
E
V
L
----
N
N
L
I
R
A
F
A
A
E
G
E
E
I
G
Y
V
H
P
S
Y
S
Y
Y
G
T
L
A
E
V
Q
G
A
R
V
R
T
F
G
L
-
T
-
G
-
D
-
F
R
I
-
A
G
F
P
E
R
-----
Y
E
-
G
K
V
F
F
L
T
T
P
N
A
P
L
G
P
S
F
P
L
E
Y
I
D
E
L
A
R
R
---
C
--
A
G
M
L
V
L
D
E
T
Y
A
E
F
A
E
S
N
A
-------
L
E
---
L
-
V
R
-
R
H
E
N
V
V
V
T
R
T
L
S
K
S
Y
S
L
A
G
M
R
I
G
L
A
I
A
R
P
E
-
V
I
A
A
L
D
K
I
R
D
H
Y
N
L
D
R
L
A
Q
A
A
C
V
A
A
L
R
D
Q
A
Y
L
S
E
C
--
C
R
R
I
R
E
T
R
-
E
W
F
T
T
E
-
L
R
S
I
-
G
Y
--
D
V
--
I
--
P
-
S
-
Q
G
N
Y
L
--
F
A
--
T
--
P
P
DR
D
--
G
K
R
V
Y
D
G
L
Y
A
R
K
V
L
V
R
H
-----
F
S
D
PLLAH--
G
M
R
I
S
I
G
T
R
E
E
M
E
Q
T
L
A
A
L
K
E
I
G
E
-
45
HHSearch
78.62
27%
-91
- C1 -
3CQ5
6
HIS8_CORGL
A:
[30-366]
----------------------------
N
V
D
I
R
L
N
T
N
E
N
P
Y
P
-
P
S
E
A
L
V
A
D
L
V
A
-
T
V
D
K
I
AT
E
L
N
R
Y
P
E
R
D
A
V
-
E
L
R
D
E
L
A
A
Y
I
T
K
Q
TG
V
A
V
T
---
R
-
D
N
L
W
A
A
N
G
S
N
E
I
L
----
Q
Q
L
L
Q
A
F
G
G
P
G
R
T
A
L
G
F
Q
P
S
Y
S
M
H
P
I
L
A
K
G
T
H
T
E
F
I
A
V
S
R
-
G
A
D
-
F
R
I
D
M
-
D
V
A
L
E
E
I
R
A
--
K
Q
-
P
D
I
V
F
V
T
T
P
N
N
P
T
G
D
V
T
S
L
D
D
V
E
R
I
I
N
V
---
A
--
P
G
I
V
I
V
D
E
A
Y
A
E
F
S
P
S
P
S
---
A
---
T
T
---
L
-
L
E
K
Y
P
T
K
L
V
V
S
R
T
M
S
K
A
F
D
F
A
G
G
R
L
G
Y
F
V
A
N
P
A
-
F
I
D
A
V
M
L
V
R
L
P
Y
H
L
S
A
L
S
Q
A
A
A
I
V
A
L
R
H
S
A
D
T
L
G
T
--
V
E
K
L
S
V
E
R
-
V
R
V
A
A
R
-
L
E
E
L
-
G
Y
--
A
V
--
V
--
P
-
S
E
S
N
F
V
F
--
F
G
--
D
--
F
S
--
D
--
Q
H
A
A
W
Q
A
F
L
D
R
G
V
L
I
R
D
-----
V
G
I
AG-----
H
L
R
T
T
I
G
V
P
E
E
N
D
A
F
L
D
A
A
A
E
I
I
K
-
42
HHSearch
76.99
26%
-91
- C1 -
1LC5
2
COBD_SALTY
A:
[3-357]
-------
L
F
N
T
A
H
G
G
N
I
R
E
P
A
T
V
L
G
I
S
P
D
Q
L
L
D
F
S
A
N
I
N
P
L
G
-
M
P
V
S
V
K
R
A
L
I
D
-
N
L
D
----
C
I
E
R
Y
P
D
A
D
Y
F
-
H
L
H
Q
A
L
A
R
H
H
Q
------
V
P
---
A
-
S
W
I
L
A
G
N
G
E
T
E
S
I
----
F
T
V
A
S
G
L
--
K
P
R
R
A
M
I
V
T
P
G
F
A
E
Y
G
R
A
L
A
Q
S
G
C
E
I
R
R
W
S
L
-
R
-
E
A
D
G
W
Q
L
T
D
A
I
L
E
A
L
T
---
P
D
-
L
D
C
L
F
L
C
T
P
N
N
P
T
G
L
L
P
E
R
P
L
L
Q
A
I
A
D
R
C
K
S
L
--
N
I
N
L
I
L
D
E
A
F
I
D
F
I
P
H
E
T
---
G
--
F
I
P
---
A
-
L
K
-
D
N
P
H
I
W
V
L
R
S
L
T
K
F
Y
A
I
P
G
L
R
L
G
Y
L
V
N
S
D
D
A
A
M
A
R
M
R
R
Q
Q
M
P
W
S
V
N
A
L
A
A
L
A
G
E
V
A
L
Q
D
S
A
W
Q
Q
A
T
--
W
H
W
L
R
E
E
G
-
A
R
F
Y
Q
A
-
L
C
Q
LP
L
L
--
T
V
--
Y
--
P
-
G
-
R
A
N
Y
L
--
L
L
--
R
--
C
E
--
R
E-
D
I
D
L
Q
R
R
L
L
T
Q
R
I
L
I
R
S
-----
C
A
N
YPGLDSR
Y
Y
R
V
A
I
R
S
A
A
Q
N
E
R
L
L
A
A
L
R
N
V
L
--
4
PsiBlast_PDB
76.23
32%
-84
- C1 -
3GET
2
HIS8_CAMJE
A:
[6-357]
--
E
F
L
N
N
L
S
N
Y
E
P
G
K
D
I
E
V
I
A
K
E
Y
G
V
K
--
E
V
I
K
L
A
S
N
E
N
P
F
G
-
T
P
P
K
A
I
E
C
L
R
Q
-
N
A
N
----
K
A
H
L
Y
P
D
D
-
S
M
I
E
L
K
S
T
L
A
Q
K
Y
K
------
V
Q
---
N
-
E
N
I
I
I
G
A
G
S
D
Q
V
I
----
E
F
A
I
H
S
K
L
N
S
K
N
A
F
L
Q
A
G
V
T
F
A
M
Y
E
I
Y
A
K
Q
C
G
A
K
C
Y
K
T
Q
S
-
I
-
T
-
H
N
L
D
E
-
F
K
K
L
Y
E
T
H
---
K
D
E
I
K
L
I
F
L
C
L
P
N
N
P
L
G
E
C
L
D
A
S
E
A
T
E
F
I
K
G
V
-
N
E
--
D
C
L
V
V
I
D
A
A
Y
N
E
F
A
S
F
K
D
---
S
K
K
H
L
E
P
C
E
L
-
I
K
-
E
F
D
N
V
L
Y
L
G
T
F
S
K
L
Y
G
L
G
G
L
R
I
G
Y
G
I
A
N
A
N
-
I
I
S
A
F
Y
K
L
R
A
P
F
N
V
S
N
L
A
L
K
A
A
V
A
A
M
D
D
D
E
F
T
E
K
T
--
L
E
N
N
F
S
Q
M
-
E
L
Y
K
-
E
-
F
A
K
--
K
H
N
I
K
I
--
I
--
D
-
S
-
Y
T
N
F
I
T
Y
F
F
--
D
--
E
K
--
N
--
S
T
D
L
S
E
K
L
L
K
K
G
I
I
I
R
N
-----
L
K
S
YGL
N
---
A
I
R
I
T
I
G
T
S
Y
E
N
E
K
F
F
---------
51
HHSearch
75.41
35%
-96
- C1 -
1UU1
2
HIS8_THEMA
A:
[19-334]
----------------------------
R
D
K
T
Y
L
A
L
N
E
N
P
F
P
-
F
P
E
D
L
V
D
E
V
F
R
-
R
L
N
S
D
--
A
L
R
I
Y
Y
D
S
P
D
E
-
E
L
I
E
K
I
L
S
Y
L
D
TDF---
L
S
---
K
-
N
N
V
S
V
G
N
G
A
D
E
I
I
----
Y
V
M
M
L
M
F
----
D
R
S
V
F
F
P
P
T
Y
S
C
Y
R
I
F
A
K
A
V
G
A
K
F
L
E
V
P
L
-
T
-
K
-
D
-
L
R
I
-
P
E
V
N
---
V
---
G
E
-
G
D
V
V
F
I
P
N
P
N
N
P
T
G
H
V
F
E
R
E
E
I
E
R
I
L
K
----
T
--
G
A
F
V
A
L
D
E
A
Y
Y
E
F
H
G
E
S
----
Y
---
V
D
---
F
-
L
K
-
K
Y
E
N
L
A
V
I
R
T
F
S
K
A
F
S
L
A
A
Q
R
V
G
Y
V
V
A
S
E
K
-
F
I
D
A
Y
N
R
V
R
L
P
F
N
V
S
Y
V
S
Q
M
F
A
K
V
A
L
D
H
R
E
I
F
E
E
R
--
T
K
F
I
V
E
E
R
-
E
R
M
K
S
A
-
L
R
E
M
-
G
Y
--
R
I
--
T
--
D
-
S
-
R
G
N
F
V
--
F
V
--
F
--
M
E
--
K
E
E
K
E
R
L
L
E
H
L
R
T
K
N
V
A
V
R
S
-----
F
R
E
-------
G
V
R
I
T
I
G
K
R
E
E
N
D
M
I
L
R
E
L
E
V
F
---
34
PsiBlast_CBE
74.46
36%
-97
- C1 -
2F8J
4
HIS8_THEMA
D:
[36-346]
---------------------------------
L
A
L
N
E
N
P
F
P
F
P
E
D
L
V
D
E
V
F
R
R
L
N
S
D
----
A
L
R
I
Y
Y
D
S
-
P
D
E
E
L
I
E
K
I
L
S
Y
L
D
------
T
D
FLS
K
-
N
N
V
S
V
G
N
G
A
D
E
I
I
YVMM
L
M
F
D
R
S
V
F
F
P
--------
P
T
Y
S
C
Y
R
I
F
A
K
A
V
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G
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---
Y
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-----
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---