@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 : gbs2024: (2015-12-12 )
MEVKDILKTVDHTLLATTATWPEIQTILDDAMAYETASACIPASYVKKAAEYVSGKLAICTVIGFPNGYSTTAAKVFECQDAIKNGADEIDMVINLTDVKNGDFDTVEEEIRQIKAACQDHILKVIVETCQLTKEELIELCGVVTRSGADFIKTSTGFSTAGATFEDVEVMAKYVGEGVKIKAAGGISSLEDAEKFIALGASRLGTSRIIKIVKNQKVEEGTY
Atome Classification :
(26 SA)
.........10........20........30........40........-50...-.-.-...60........70........80........90........100.......110.......120.......130---.----.----....-.140.......150......-.160........170..---..---...180.......190.......200.......210..----.....220.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
E
V
K
D
I
L
K
T
V
D
H
T
L
LATTAT
W
P
E
I
Q
T
I
L
D
D
A
M
A
Y
E
T
A
S
ACI
P
A
S
Y
V
K
K
A
-
A
E
Y
VS-G-
K
-
L
A
I
C
T
V
IGFPNGYS
T
T
A
A
K
V
F
E
C
Q
D
A
I
KNGAD
E
I
D
M
V
I
N
L
T
DVKNGD
F
D
T
V
E
E
E
I
R
Q
I
K
A
A
C
Q
D
H
I
L
K
V
I
V
E
T
C
QL---
T
----
K
----
E
E
L
I
-
E
L
C
G
V
V
TRSGA
D
F
I
KTSTGF-ST-AGA
T
F
E
D
V
E
V
M
A
K
Y---VG---E
G
V
K
I
K
AAGGI
S
S
L
E
D
A
E
K
F
I
A
L
G
A
S
RL
G
T
S
R
I
I
K
I
V
K----NQKVEEGTY
24
PsiBlast_CBE
95.20
41%
-104
- C4 -
1UB3
1
DEOC_THET8
D:
[2-212]
----
D
L
A
A
H
I
D
H
T
L
L
K
P
T
A
T
L
E
E
V
A
K
A
A
E
E
A
L
E
Y
G
F
Y
G
L
C
I
P
P
S
Y
V
A
W
V
R
A
R
Y
P
H
-
A
-
P
-
F
R
L
V
T
V
V
G
F
P
L
G
Y
Q
E
K
E
V
K
A
L
E
A
A
L
A
C
A
R
G
A
D
E
V
D
M
V
L
H
L
G
R
A
K
A
G
D
L
D
Y
L
E
A
E
V
R
A
V
R
E
A
V
P
Q
A
V
L
K
V
I
L
E
T
G
Y
F
---
S
----
P
----
E
E
I
A
-
R
L
A
E
A
A
I
R
G
G
A
D
F
L
K
T
S
T
G
F
-
G
P
-
R
G
A
S
L
E
D
V
A
L
L
V
R
V
---
A
Q
---
G
R
A
Q
V
K
A
A
G
G
I
R
D
R
E
T
A
L
R
M
L
K
A
G
A
S
R
L
G
T
S
S
G
V
A
L
V
A
-------------
52
HHSearch
94.39
40%
-102
* C4 *
1UB3
1
DEOC_THET8
A:
[2-212]
----
D
L
A
A
H
I
D
H
T
L
L
K
P
T
A
T
L
E
E
V
A
K
A
A
E
E
A
L
E
Y
G
F
Y
G
L
C
I
P
P
S
Y
V
A
W
V
-
R
A
R
Y
P
H
A
-
P
-
F
R
L
V
T
V
V
G
F
P
L
G
Y
Q
E
K
E
V
K
A
L
E
A
A
L
A
C
A
R
G
A
D
E
V
D
M
V
L
H
L
G
R
A
K
A
G
D
L
D
Y
L
E
A
E
V
R
A
V
R
E
A
V
P
Q
A
V
L
K
V
I
L
E
T
G
Y
F
---
S
----
P
----
E
E
I
A
-
R
L
A
E
A
A
I
R
G
G
A
D
F
L
K
T
S
T
G
F
-
G
P
-
R
G
A
S
L
E
D
V
A
L
L
V
R
V
---
A
Q
---
G
R
A
Q
V
K
A
A
G
G
I
R
D
R
E
T
A
L
R
M
L
K
A
G
A
S
R
L
G
T
S
S
G
V
A
L
V
A
-------------
2
PsiBlast_PDB
94.31
41%
-101
- C4 -
1J2W
-
DEOC_THET8
A:
[2-212]
----
D
L
A
A
H
I
D
H
T
L
L
K
P
T
A
T
L
E
E
V
A
K
A
A
E
E
A
L
E
Y
G
F
Y
G
L
C
I
P
P
S
Y
V
A
W
V
R
A
R
Y
P
H
-
A
-
P
-
F
R
L
V
T
V
V
G
F
P
L
G
Y
Q
E
K
E
V
K
A
L
E
A
A
L
A
C
A
R
G
A
D
E
V
D
M
V
L
H
L
G
R
A
K
A
G
D
L
D
Y
L
E
A
E
V
R
A
V
R
E
A
V
P
Q
A
V
L
K
V
I
L
E
T
G
Y
F
---
S
----
P
----
E
E
I
A
-
R
L
A
E
A
A
I
R
G
G
A
D
F
L
K
T
S
T
G
F
-
G
P
-
R
G
A
S
L
E
D
V
A
L
L
V
R
V
---
A
Q
---
G
R
A
Q
V
K
A
A
G
G
I
R
D
R
E
T
A
L
R
M
L
K
A
G
A
S
R
L
G
T
S
S
G
V
A
L
V
A
-------------
26
PsiBlast_CBE
93.82
41%
-107
- C4 -
1UB3
1
DEOC_THET8
B:
[2-211]
----
D
L
A
A
H
I
D
H
T
L
L
K
P
T
A
T
L
E
E
V
A
K
A
A
E
E
A
L
E
Y
G
F
Y
G
L
C
I
P
P
S
Y
V
A
W
V
R
A
R
Y
P
H
-
A
-
P
-
F
R
L
V
T
V
V
G
F
P
L
G
Y
Q
E
K
E
V
K
A
L
E
A
A
L
A
C
A
R
G
A
D
E
V
D
M
V
L
H
L
G
R
A
K
A
G
D
L
D
Y
L
E
A
E
V
R
A
V
R
E
A
V
P
Q
A
V
L
K
V
I
L
E
T
G
Y
F
---
S
----
P
----
E
E
I
A
-
R
L
A
E
A
A
I
R
G
G
A
D
F
L
K
T
S
T
G
F
-
G
P
-
R
G
A
S
L
E
D
V
A
L
L
V
R
V
---
A
Q
---
G
R
A
Q
V
K
A
A
G
G
I
R
D
R
E
T
A
L
R
M
L
K
A
G
A
S
R
L
G
T
S
S
G
V
A
L
V
--------------
3
PsiBlast_PDB
93.62
41%
-99
- C4 -
1UB3
1
DEOC_THET8
A:
[2-212]
----
D
L
A
A
H
I
D
H
T
L
L
K
P
T
A
T
L
E
E
V
A
K
A
A
E
E
A
L
E
Y
G
F
Y
G
L
C
I
P
P
S
Y
V
A
W
V
R
A
R
Y
P
H
-
A
-
P
-
F
R
L
V
T
V
V
G
F
P
L
G
Y
Q
E
K
E
V
K
A
L
E
A
A
L
A
C
A
R
G
A
D
E
V
D
M
V
L
H
L
G
R
A
K
A
G
D
L
D
Y
L
E
A
E
V
R
A
V
R
E
A
V
P
Q
A
V
L
K
V
I
L
E
T
G
Y
F
---
S
----
P
----
E
E
I
A
-
R
L
A
E
A
A
I
R
G
G
A
D
F
L
K
T
S
T
G
F
-
G
P
-
R
G
A
S
L
E
D
V
A
L
L
V
R
V
---
A
Q
---
G
R
A
Q
V
K
A
A
G
G
I
R
D
R
E
T
A
L
R
M
L
K
A
G
A
S
R
L
G
T
S
S
G
V
A
L
V
A
-------------
50
HHSearch
93.15
39%
-110
- C4 -
3OA3
1
?
A:
[54-274]
-
E
V
V
S
I
A
Q
I
I
D
H
T
Q
L
S
L
S
A
T
G
S
Q
I
D
V
L
C
A
E
A
K
E
Y
G
F
A
T
V
C
V
R
P
D
Y
V
S
R
A
-
V
Q
Y
L
Q
G
T
-
Q
-
V
G
V
T
C
V
I
G
F
H
E
G
T
Y
S
T
D
Q
K
V
S
E
A
K
R
A
M
Q
N
G
A
S
E
L
D
M
V
M
N
Y
P
W
L
S
E
K
R
Y
T
D
V
F
Q
D
I
R
A
V
R
L
A
A
K
D
A
I
L
K
V
I
L
E
T
S
Q
L
---
T
----
A
----
D
E
I
I
-
A
G
C
V
L
S
S
L
A
G
A
D
Y
V
K
T
S
T
G
F
-
N
G
-
P
G
A
S
I
E
N
V
S
L
M
S
A
V
---
C
D
S
LQ
S
E
T
R
V
K
A
S
G
G
I
R
T
I
E
D
C
V
K
M
V
R
A
G
A
E
R
L
G
A
S
A
G
V
K
I
V
N
----
E
T
R
L
-----
4
PsiBlast_PDB
93.05
39%
-111
- C4 -
3OA3
1
?
A:
[54-274]
-
E
V
V
S
I
A
Q
I
I
D
H
T
Q
L
S
L
S
A
T
G
S
Q
I
D
V
L
C
A
E
A
K
E
Y
G
F
A
T
V
C
V
R
P
D
Y
V
S
R
A
-
V
Q
Y
L
Q
-
G
T
Q
-
V
G
V
T
C
V
I
G
F
H
E
G
T
Y
S
T
D
Q
K
V
S
E
A
K
R
A
M
Q
N
G
A
S
E
L
D
M
V
M
N
Y
P
W
L
S
E
K
R
Y
T
D
V
F
Q
D
I
R
A
V
R
L
A
A
K
D
A
I
L
K
V
I
L
E
T
S
Q
L
---
T
----
A
----
D
E
I
I
-
A
G
C
V
L
S
S
L
A
G
A
D
Y
V
K
T
S
T
G
F
-
N
G
-
P
G
A
S
I
E
N
V
S
L
M
S
A
V
C
D
S
L
Q
---
S
E
T
R
V
K
A
S
G
G
I
R
T
I
E
D
C
V
K
M
V
R
A
G
A
E
R
L
G
A
S
A
G
V
K
I
V
N
E
T
R
L---------
22
PsiBlast_CBE
93.01
42%
-111
- C4 -
3NGJ
5
?
C:
[22-235]
M
D
K
A
T
L
A
K
Y
I
D
H
T
L
L
K
A
D
A
T
E
E
Q
I
R
K
L
C
S
E
A
A
E
Y
K
F
A
S
V
C
V
N
P
T
W
V
P
L
C
-
A
E
L
L
K
-
G
-
T
G
V
K
V
C
T
V
I
G
F
P
L
G
A
T
P
S
E
V
K
A
Y
E
T
K
V
A
V
E
Q
G
A
E
E
V
D
M
V
I
N
I
G
M
V
K
A
K
K
Y
D
D
V
E
K
D
V
K
A
V
V
D
A
S
G
K
A
L
T
K
V
I
I
E
C
C
Y
L
---
T
----
N
----
E
E
K
V
-
E
V
C
K
R
C
V
A
A
G
A
E
Y
V
K
T
S
T
G
F
-
G
T
-
H
G
A
T
P
E
D
V
K
L
M
K
D
T
---
V
G
---
D
K
A
L
V
K
A
A
G
G
I
R
T
F
D
D
A
M
K
M
I
N
N
G
A
S
R
I
G
A
S
A
G
I
A
I
L
N
----
G
I
H
------
1
PsiBlast_PDB
92.63
42%
-110
- C4 -
3NGJ
3
?
A:
[22-235]
M
D
K
A
T
L
A
K
Y
I
D
H
T
L
L
K
A
D
A
T
E
E
Q
I
R
K
L
C
S
E
A
A
E
Y
K
F
A
S
V
C
V
N
P
T
W
V
P
L
C
-
A
E
L
L
K
-
G
-
T
G
V
K
V
C
T
V
I
G
F
P
L
G
A
T
P
S
E
V
K
A
Y
E
T
K
V
A
V
E
Q
G
A
E
E
V
D
M
V
I
N
I
G
M
V
K
A
K
K
Y
D
D
V
E
K
D
V
K
A
V
V
D
A
S
G
K
A
L
T
K
V
I
I
E
C
C
Y
L
---
T
----
N
----
E
E
K
V
-
E
V
C
K
R
C
V
A
A
G
A
E
Y
V
K
T
S
T
G
F
-
G
T
-
H
G
A
T
P
E
D
V
K
L
M
K
D
T
---
V
G
---
D
K
A
L
V
K
A
A
G
G
I
R
T
F
D
D
A
M
K
M
I
N
N
G
A
S
R
I
G
A
S
A
G
I
A
I
L
N
----
G
I
H
------
27
PsiBlast_CBE
92.62
39%
-106
- C4 -
3OA3
1
?
B:
[54-273]
-
E
V
V
S
I
A
Q
I
I
D
H
T
Q
L
S
L
S
A
T
G
S
Q
I
D
V
L
C
A
E
A
K
E
Y
G
F
A
T
V
C
V
R
P
D
Y
V
S
R
A
-
V
Q
Y
L
Q
-
G
T
Q
-
V
G
V
T
C
V
I
G
F
H
E
G
T
Y
S
T
D
Q
K
V
S
E
A
K
R
A
M
Q
N
G
A
S
E
L
D
M
V
M
N
Y
P
W
L
S
E
K
R
Y
T
D
V
F
Q
D
I
R
A
V
R
L
A
A
K
D
A
I
L
K
V
I
L
E
T
S
Q
L
---
T
----
A
----
D
E
I
I
-
A
G
C
V
L
S
S
L
A
G
A
D
Y
V
K
T
S
T
G
F
-
N
G
-
P
G
A
S
I
E
N
V
S
L
M
S
A
V
CDS
L
Q
---
S
E
T
R
V
K
A
S
G
G
I
R
T
I
E
D
C
V
K
M
V
R
A
G
A
E
R
L
G
A
S
A
G
V
K
I
V
N
ETR----------
53
HHSearch
92.53
41%
-107
- C4 -
3NGJ
3
?
A:
[23-238]
-
D
K
A
T
L
A
K
Y
I
D
H
T
L
L
K
A
D
A
T
E
E
Q
I
R
K
L
C
S
E
A
A
E
Y
K
F
A
S
V
C
V
N
P
T
W
V
P
L
C
-
A
E
L
L
K
G
T
-
G
-
V
K
V
C
T
V
I
G
F
P
L
G
A
T
P
S
E
V
K
A
Y
E
T
K
V
A
V
E
Q
G
A
E
E
V
D
M
V
I
N
I
G
M
V
K
A
K
K
Y
D
D
V
E
K
D
V
K
A
V
V
D
A
S
G
K
A
L
T
K
V
I
I
E
C
C
Y
L
---
T
----
N
----
E
E
K
V
-
E
V
C
K
R
C
V
A
A
G
A
E
Y
V
K
T
S
T
G
F
-
G
T
-
H
G
A
T
P
E
D
V
K
L
M
K
D
T
---
V
G
---
D
K
A
L
V
K
A
A
G
G
I
R
T
F
D
D
A
M
K
M
I
N
N
G
A
S
R
I
G
A
S
A
G
I
A
I
L
N
----
G
I
H
------
23
PsiBlast_CBE
92.36
42%
-111
- C4 -
3NGJ
5
?
B:
[22-235]
M
D
K
A
T
L
A
K
Y
I
D
H
T
L
L
K
A
D
A
T
E
E
Q
I
R
K
L
C
S
E
A
A
E
Y
K
F
A
S
V
C
V
N
P
T
W
V
P
L
C
-
A
E
L
L
K
-
G
-
T
G
V
K
V
C
T
V
I
G
F
P
L
G
A
T
P
S
E
V
K
A
Y
E
T
K
V
A
V
E
Q
G
A
E
E
V
D
M
V
I
N
I
G
M
V
K
A
K
K
Y
D
D
V
E
K
D
V
K
A
V
V
D
A
S
G
K
A
L
T
K
V
I
I
E
C
C
Y
L
---
T
----
N
----
E
E
K
V
-
E
V
C
K
R
C
V
A
A
G
A
E
Y
V
K
T
S
T
G
F
-
G
T
-
H
G
A
T
P
E
D
V
K
L
M
K
D
T
---
V
G
---
D
K
A
L
V
K
A
A
G
G
I
R
T
F
D
D
A
M
K
M
I
N
N
G
A
S
R
I
G
A
S
A
G
I
A
I
L
N
----
G
I
H
------
25
PsiBlast_CBE
92.21
41%
-103
- C4 -
1UB3
1
DEOC_THET8
C:
[2-211]
----
D
L
A
A
H
I
D
H
T
L
L
K
P
T
A
T
L
E
E
V
A
K
A
A
E
E
A
L
E
Y
G
F
Y
G
L
C
I
P
P
S
Y
V
A
W
V
R
A
R
Y
P
H
-
A
-
P
-
F
R
L
V
T
V
V
G
F
P
L
G
Y
Q
E
K
E
V
K
A
L
E
A
A
L
A
C
A
R
G
A
D
E
V
D
M
V
L
H
L
G
R
A
K
A
G
D
L
D
Y
L
E
A
E
V
R
A
V
R
E
A
V
P
Q
A
V
L
K
V
I
L
E
T
G
Y
F
---
S
----
P
----
E
E
I
A
-
R
L
A
E
A
A
I
R
G
G
A
D
F
L
K
T
S
T
G
F
-
G
P
-
R
G
A
S
L
E
D
V
A
L
L
V
R
V
---
A
Q
---
G
R
A
Q
V
K
A
A
G
G
I
R
D
R
E
T
A
L
R
M
L
K
A
G
A
S
R
L
G
T
S
S
G
V
A
L
V
--------------
21
PsiBlast_CBE
92.07
42%
-110
- C4 -
3NGJ
5
?
D:
[22-235]
M
D
K
A
T
L
A
K
Y
I
D
H
T
L
L
K
A
D
A
T
E
E
Q
I
R
K
L
C
S
E
A
A
E
Y
K
F
A
S
V
C
V
N
P
T
W
V
P
L
C
-
A
E
L
L
K
-
G
-
T
G
V
K
V
C
T
V
I
G
F
P
L
G
A
T
P
S
E
V
K
A
Y
E
T
K
V
A
V
E
Q
G
A
E
E
V
D
M
V
I
N
I
G
M
V
K
A
K
K
Y
D
D
V
E
K
D
V
K
A
V
V
D
A
S
G
K
A
L
T
K
V
I
I
E
C
C
Y
L
---
T
----
N
----
E
E
K
V
-
E
V
C
K
R
C
V
A
A
G
A
E
Y
V
K
T
S
T
G
F
-
G
T
-
H
G
A
T
P
E
D
V
K
L
M
K
D
T
---
V
G
---
D
K
A
L
V
K
A
A
G
G
I
R
T
F
D
D
A
M
K
M
I
N
N
G
A
S
R
I
G
A
S
A
G
I
A
I
L
N
----
G
I
H
------
5
PsiBlast_PDB
91.51
40%
-105
- C4 -
3R12
3
DEOC_THEMA
A:
[40-253]
--
I
E
D
V
K
S
A
I
E
H
T
N
L
K
P
F
A
T
P
D
D
I
K
K
L
C
L
E
A
R
E
N
R
F
H
G
V
C
V
N
P
C
Y
V
K
L
A
-
R
E
E
L
E
-
G
T
D
-
V
K
V
V
T
V
V
G
F
P
L
G
A
N
E
T
R
T
K
A
H
E
A
I
F
A
V
E
S
G
A
D
E
I
D
M
V
I
N
V
G
M
L
K
A
K
E
W
E
Y
V
Y
E
D
I
R
S
V
V
E
S
V
K
G
K
V
V
K
V
I
I
E
T
C
Y
L
---
D
----
T
----
E
E
K
I
-
A
A
C
V
I
S
K
L
A
G
A
H
F
V
K
T
S
T
G
F
-
G
T
-
G
G
A
T
A
E
D
V
H
L
M
K
W
I
---
V
G
---
D
E
M
G
V
K
A
S
G
G
I
R
T
F
E
D
A
V
K
M
I
M
Y
G
A
D
R
I
G
T
S
S
G
V
K
I
V
Q
----
G
G
E
E
R
Y
G
--
6
PsiBlast_PDB
91.49
40%
-106
- C4 -
3R13
5
DEOC_THEMA
A:
[40-253]
--
I
E
D
V
K
S
A
I
E
H
T
N
L
K
P
F
A
T
P
D
D
I
K
K
L
C
L
E
A
R
E
N
R
F
H
G
V
C
V
N
P
C
Y
V
K
L
A
-
R
E
E
L
E
-
G
T
D
-
V
K
V
V
T
V
V
G
F
P
L
G
A
N
E
T
R
T
K
A
H
E
A
I
F
A
V
E
S
G
A
D
E
I
D
M
V
I
N
V
G
M
L
K
A
K
E
W
E
Y
V
Y
E
D
I
R
S
V
V
E
S
V
K
G
K
V
V
K
V
I
I
E
T
C
Y
L
---
D
----
T
----
E
E
K
I
-
A
A
C
V
I
S
K
L
A
G
A
H
F
V
K
T
S
T
G
F
-
G
T
-
G
G
A
T
A
E
D
V
H
L
M
K
W
I
---
V
G
---
D
E
M
G
V
K
A
S
G
G
I
R
T
F
E
D
A
V
K
M
I
M
Y
G
A
D
R
I
G
T
S
S
G
V
K
I
V
Q
----
G
G
E
E
R
Y
G
--
51
HHSearch
90.75
40%
-97
- C4 -
3R12
3
DEOC_THEMA
A:
[39-259]
-
G
I
E
D
V
K
S
A
I
E
H
T
N
L
K
P
F
A
T
P
D
D
I
K
K
L
C
L
E
A
R
E
N
R
F
H
G
V
C
V
N
P
C
Y
V
K
L
A
-
R
E
E
L
E
G
T
-
D
-
V
K
V
V
T
V
V
G
F
P
L
G
A
N
E
T
R
T
K
A
H
E
A
I
F
A
V
E
S
G
A
D
E
I
D
M
V
I
N
V
G
M
L
K
A
K
E
W
E
Y
V
Y
E
D
I
R
S
V
V
E
S
V
K
G
K
V
V
K
V
I
I
E
T
C
Y
L
---
D
----
T
----
E
E
K
I
-
A
A
C
V
I
S
K
L
A
G
A
H
F
V
K
T
S
T
G
F
-
G
T
-
G
G
A
T
A
E
D
V
H
L
M
K
W
I
---
V
G
---
D
E
M
G
V
K
A
S
G
G
I
R
T
F
E
D
A
V
K
M
I
M
Y
G
A
D
R
I
G
T
S
S
G
V
K
I
V
Q
----
G
G
E
E
R
Y
G
--
54
HHSearch
88.64
37%
-105
- C4 -
3NDO
4
?
A:
[9-230]
-
T
R
A
Q
V
A
A
L
V
D
H
T
L
L
K
P
E
A
T
P
S
D
V
T
A
L
V
D
E
A
A
D
L
G
V
F
A
V
C
V
S
P
P
L
V
S
V
A
-
A
G
V
A
P
-
S
-
G
-
L
A
I
A
A
V
A
G
F
P
S
G
K
H
V
P
G
I
K
A
T
E
A
E
L
A
V
A
A
G
A
T
E
I
D
M
V
I
D
V
G
A
A
L
A
G
D
L
D
A
V
S
A
D
I
T
A
V
R
K
A
V
R
A
A
T
L
K
V
I
V
E
S
A
A
L
---
L
----
E
F
SG
E
P
L
L
A
-
D
V
C
R
V
A
R
D
A
G
A
D
F
V
K
T
S
T
G
F
-
H
P
S
G
G
A
S
V
Q
A
V
E
I
M
A
R
T
---
V
G
---
E
R
L
G
V
K
A
S
G
G
I
R
T
A
E
Q
A
A
A
M
L
D
A
G
A
T
R
L
G
L
S
G
S
R
A
V
L
D
----
G
F
G
S
A
----
56
HHSearch
88.50
36%
-102
- C4 -
1MZH
-
DEOC_AQUAE
A:
[1-215]
--
M
I
D
V
R
K
Y
I
D
N
A
A
L
K
P
H
L
S
E
K
E
I
E
E
F
V
L
K
S
E
E
L
G
I
Y
A
V
C
V
N
P
Y
H
V
K
L
A
-
S
S
I
A
K
---
K
-
V
K
V
C
C
V
I
G
F
P
L
G
L
N
K
T
S
V
K
V
K
E
A
V
E
A
V
R
D
G
A
Q
E
L
D
I
V
W
N
L
S
A
F
K
S
E
K
Y
D
F
V
V
E
E
L
K
E
I
F
R
E
T
P
S
A
V
H
K
V
I
V
E
T
P
Y
L
---
N
----
E
----
E
E
I
K
-
K
A
V
E
I
C
I
E
A
G
A
D
F
I
K
T
S
T
G
F
-
A
P
-
R
G
T
T
L
E
E
V
R
L
I
K
S
S
---
A
K
---
G
R
I
K
V
K
A
S
G
G
I
R
D
L
E
T
A
I
S
M
I
E
A
G
A
D
R
I
G
T
S
S
G
I
S
I
A
E
----
E
F
L
K
R
H
L
I
L
8
PsiBlast_PDB
86.60
37%
-103
- C4 -
1MZH
-
DEOC_AQUAE
A:
[3-209]
----
D
V
R
K
Y
I
D
N
A
A
L
K
P
H
L
S
E
K
E
I
E
E
F
V
L
K
S
E
E
L
G
I
Y
A
V
C
V
N
P
Y
H
V
K
L
A
-
S
S
-
I
A
-
K
-
K
-
V
K
V
C
C
V
I
G
F
P
L
G
L
N
K
T
S
V
K
V
K
E
A
V
E
A
V
R
D
G
A
Q
E
L
D
I
V
W
N
L
S
A
F
K
S
E
K
Y
D
F
V
V
E
E
L
K
E
I
F
R
E
T
P
S
A
V
H
K
V
I
V
E
T
P
Y
L
---
N
----
E
----
E
E
I
K
-
K
A
V
E
I
C
I
E
A
G
A
D
F
I
K
T
S
T
G
F
-
A
P
-
R
G
T
T
L
E
E
V
R
L
I
K
S
S
---
A
K
---
G
R
I
K
V
K
A
S
G
G
I
R
D
L
E
T
A
I
S
M
I
E
A
G
A
D
R
I
G
T
S
S
G
I
S
I
A
E
----
E
F
L
K
R
H
L
I
L
31
PsiBlast_CBE
86.46
36%
-99
- C4 -
3NG3
4
DEOC_MYCA1
C:
[16-217]
---------
V
D
H
T
L
L
K
P
E
A
T
A
A
D
V
A
A
L
V
T
E
A
A
E
L
G
V
Y
A
V
C
V
S
P
P
M
V
P
A
A
-
V
Q
A
G
A
-
G
---
V
R
V
A
S
V
A
G
F
P
S
G
K
H
V
S
A
V
K
A
H
E
A
A
L
A
V
A
S
G
A
A
E
I
D
M
V
I
D
V
G
A
A
L
A
G
D
L
D
G
V
R
A
D
I
A
A
V
R
G
A
V
G
G
A
V
L
K
V
I
V
E
S
S
A
L
---
L
A
L
AD
E
----
H
T
L
V
-
R
V
C
R
A
A
E
D
A
G
A
D
F
V
K
T
S
T
G
F
H
P
S
-
G
G
A
S
V
R
A
V
A
L
M
A
E
A
---
V
G
---
G
R
L
G
V
K
A
S
G
G
I
R
T
A
A
D
A
L
A
M
L
D
A
G
A
T
R
L
G
L
S
G
T
R
A
V
L
D
----
G
L
-------
30
PsiBlast_CBE
86.19
36%
-100
- C4 -
3NG3
2
DEOC_MYCA1
D:
[16-217]
---------
V
D
H
T
L
L
K
P
E
A
T
A
A
D
V
A
A
L
V
T
E
A
A
E
L
G
V
Y
A
V
C
V
S
P
P
M
V
P
A
A
-
V
Q
A
G
------
V
R
V
A
S
V
A
G
F
P
S
G
K
H
V
S
A
V
K
A
H
E
A
A
L
A
V
A
S
G
A
A
E
I
D
M
V
I
D
V
G
A
A
L
A
G
D
L
D
G
V
R
A
D
I
A
A
V
R
G
A
V
G
G
A
V
L
K
V
I
V
E
S
S
A
L
---
L
ALAD
E
----
H
T
L
V
-
R
V
C
R
A
A
E
D
A
G
A
D
F
V
K
T
S
T
G
F
H
P
S
-
G
G
A
S
V
R
A
V
A
L
M
A
E
A
---
V
G
---
G
R
L
G
V
K
A
S
G
G
I
R
T
A
A
D
A
L
A
M
L
D
A
G
A
T
R
L
G
L
S
G
T
R
A
V
L
D
----
G
--------
9
PsiBlast_PDB
85.67
36%
-98
- C4 -
3NG3
2
DEOC_MYCA1
A:
[16-217]
---------
V
D
H
T
L
L
K
P
E
A
T
A
A
D
V
A
A
L
V
T
E
A
A
E
L
G
V
Y
A
V
C
V
S
P
P
M
V
P
A
A
-
V
Q
A
G
A
------
R
V
A
S
V
A
G
F
P
S
G
K
H
V
S
A
V
K
A
H
E
A
A
L
A
V
A
S
G
A
A
E
I
D
M
V
I
D
V
G
A
A
L
A
G
D
L
D
G
V
R
A
D
I
A
A
V
R
G
A
V
G
G
A
V
L
K
V
I
V
E
S
S
A
L
---
L
A
L
AD
E
----
H
T
L
V
-
R
V
C
R
A
A
E
D
A
G
A
D
F
V
K
T
S
T
G
F
H
P
S
-
G
G
A
S
V
R
A
V
A
L
M
A
E
A
---
V
G
---
G
R
L
G
V
K
A
S
G
G
I
R
T
A
A
D
A
L
A
M
L
D
A
G
A
T
R
L
G
L
S
G
T
R
A
V
L
D
----
G
L
-------
28
PsiBlast_CBE
85.23
40%
-106
- C4 -
3NDO
3
?
B:
[17-219]
---------
V
D
H
T
L
L
K
P
E
A
T
P
S
D
V
T
A
L
V
D
E
A
A
D
L
G
V
F
A
V
C
V
S
P
P
L
V
S
V
A
-
A
G
V
A
P
-
S
-
G
-
L
A
I
A
A
V
A
G
F
P
S
G
K
H
V
P
G
I
K
A
T
E
A
E
L
A
V
A
A
G
A
T
E
I
D
M
V
I
D
V
G
A
A
L
A
G
D
L
D
A
V
S
A
D
I
T
A
V
R
K
A
V
R
A
A
T
L
K
V
I
V
E
S
A
A
L
LEF
S
----
G
----
E
P
L
L
A
D
V
C
R
V
A
R
D
A
G
A
D
F
V
K
T
S
T
G
F
H
P
S
-
G
G
A
S
V
Q
A
V
E
I
M
A
R
T
---
V
G
---
E
R
L
G
V
K
A
S
G
G
I
R
T
A
E
Q
A
A
A
M
L
D
A
G
A
T
R
L
G
L
S
G
S
R
A
V
L
D
----
G
F
G
S
A
----
7
PsiBlast_PDB
84.87
40%
-106
- C4 -
3NDO
4
?
A:
[17-219]
---------
V
D
H
T
L
L
K
P
E
A
T
P
S
D
V
T
A
L
V
D
E
A
A
D
L
G
V
F
A
V
C
V
S
P
P
L
V
S
V
A
-
A
G
V
A
P
-
S
-
G
-
L
A
I
A
A
V
A
G
F
P
S
G
K
H
V
P
G
I
K
A
T
E
A
E
L
A
V
A
A
G
A
T
E
I
D
M
V
I
D
V
G
A
A
L
A
G
D
L
D
A
V
S
A
D
I
T
A
V
R
K
A
V
R
A
A
T
L
K
V
I
V
E
S
A
A
L
L
E
F
S
----
G
----
E
P
L
L
A
D
V
C
R
V
A
R
D
A
G
A
D
F
V
K
T
S
T
G
F
H
P
S
-
G
G
A
S
V
Q
A
V
E
I
M
A
R
T
---
V
G
---
E
R
L
G
V
K
A
S
G
G
I
R
T
A
E
Q
A
A
A
M
L
D
A
G
A
T
R
L
G
L
S
G
S
R
A
V
L
D
----
G
F
G
S
A
----
32
PsiBlast_CBE
84.65
36%
-92
- C4 -
3NG3
2
DEOC_MYCA1
B:
[16-217]
---------
V
D
H
T
L
L
K
P
E
A
T
A
A
D
V
A
A
L
V
T
E
A
A
E
L
G
V
Y
A
V
C
V
S
P
P
M
V
P
A
A
-
V
Q
A
--------
R
V
A
S
V
A
G
F
P
S
G
K
H
V
S
A
V
K
A
H
E
A
A
L
A
V
A
S
G
A
A
E
I
D
M
V
I
D
V
G
A
A
L
A
G
D
L
D
G
V
R
A
D
I
A
A
V
R
G
A
V
G
G
A
V
L
K
V
I
V
E
S
S
A
L
---
L
A
L
AD
E
----
H
T
L
V
-
R
V
C
R
A
A
E
D
A
G
A
D
F
V
K
T
S
T
G
F
H
P
S
-
G
G
A
S
V
R
A
V
A
L
M
A
E
A
---
V
G
---
G
R
L
G
V
K
A
S
G
G
I
R
T
A
A
D
A
L
A
M
L
D
A
G
A
T
R
L
G
L
S
G
T
R
A
V
L
D
----
G
L
-------