@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 : Rv1014c: (2016-04-27 )
MAEPLLVVGLGNPGANYARTRHNLGFVVADLLAARLGAKFKAHKRSGAEVATGRSAGRSLVLAKPRCYMNESGRQIGPLAKFYSVAPANIIVIHDDLDLEFGRIRLKIGGGEGGHNGLRSVVAALGTKDFQRVRIGIGRPPGRKDPAAFVLENFTPAERAEVPTICEQAADATELLIEQGMEPAQNRVHAW
Atome Classification :
(36 SA)
.........10........20........30........40........50........60........70........80........90........100.......110.......120....-...-130.......140---.......150.......160.......170.......-180.......190
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MAE
P
L
L
V
V
G
LGNPGAN
Y
A
R
T
RHN
L
G
F
V
V
A
D
L
L
A
A
R
LGA
K
F
K
AHKRSGAEVATGRSAG
R
S
L
V
L
AKP
R
C
YMNESGRQIG
P
L
A
K
FYSVAP
A
N
I
I
V
I
HDDLD
L
E
F
G
R
I
R
L
K
I
GGGEGG
H
N
G
L
R
S
V
V
A
A
LG-T
K
D
-
F
Q
R
V
RIGIGRPPG---RKD
P
A
A
F
V
L
ENF
T
P
A
E
RAE
V
P
T
I
C
E
Q
AA
D
A
T
E
L
L
I
E
Q-GM
E
P
A
Q
NRVHAW
5
PsiBlast_PDB
96.33
100%
-105
- C6 -
3TCK
-
PTH_MYCTU
A:
[2-189]
-
A
E
P
L
L
V
V
G
L
G
N
P
G
A
N
Y
A
R
T
R
H
N
L
G
F
V
V
A
D
L
L
A
A
R
L
G
A
K
F
K
A
H
K
R
S
G
A
E
V
A
T
G
R
S
A
G
R
S
L
V
L
A
K
P
R
C
Y
M
N
E
S
G
R
Q
I
G
P
L
A
K
F
Y
S
V
A
P
A
N
I
I
V
I
H
D
D
L
D
L
E
F
G
R
I
R
L
K
I
G
G
G
E
G
G
H
N
G
L
R
S
V
V
A
A
L
G
-
T
K
D
-
F
Q
R
V
R
I
G
I
G
R
P
P
G
---
R
K
D
P
A
A
F
V
L
E
N
F
T
P
A
E
R
A
E
V
P
T
I
C
E
Q
A
A
D
A
T
E
L
L
I
E
Q
-
G
M
E
P
A
Q
N
R
V
H
--
7
PsiBlast_PDB
96.25
100%
-103
- C6 -
3TD2
-
PTH_MYCTU
A:
[1-187]
M
A
E
P
L
L
V
V
G
L
G
N
P
G
A
N
Y
A
R
T
R
H
N
L
G
F
V
V
A
D
L
L
A
A
R
L
G
A
K
F
K
A
H
K
R
S
G
A
E
V
A
T
G
R
S
A
G
R
S
L
V
L
A
K
P
R
C
Y
M
N
E
S
G
R
Q
I
G
P
L
A
K
F
Y
S
V
A
P
A
N
I
I
V
I
H
D
D
L
D
L
E
F
G
R
I
R
L
K
I
G
G
G
E
G
G
H
N
G
L
R
S
V
V
A
A
L
G
-
T
K
D
-
F
Q
R
V
R
I
G
I
G
R
P
P
G
---
R
K
D
P
A
A
F
V
L
E
N
F
T
P
A
E
R
A
E
V
P
T
I
C
E
Q
A
A
D
A
T
E
L
L
I
E
Q
-
G
M
E
P
A
Q
N
R
----
3
PsiBlast_PDB
95.25
100%
-106
- C6 -
2Z2J
-
PTH_MYCTU
A:
[1-180]
M
A
E
P
L
L
V
V
G
L
G
N
P
G
A
N
Y
A
R
T
R
H
N
L
G
F
V
V
A
D
L
L
A
A
R
L
G
A
K
F
K
A
H
K
R
S
G
A
E
V
A
T
G
R
S
A
G
R
S
L
V
L
A
K
P
R
C
Y
M
N
E
S
G
R
Q
I
G
P
L
A
K
F
Y
S
V
A
P
A
N
I
I
V
I
H
D
D
L
D
L
E
F
G
R
I
R
L
K
I
G
G
G
E
G
G
H
N
G
L
R
S
V
V
A
A
L
G
-
T
K
D
-
F
Q
R
V
R
I
G
I
G
R
P
P
G
---
R
K
D
P
A
A
F
V
L
E
N
F
T
P
A
E
R
A
E
V
P
T
I
C
E
Q
A
A
D
A
T
E
L
L
I
E
Q
-
G
-----------
10
PsiBlast_PDB
95.06
80%
-100
- C6 -
3KJZ
-
PTH_MYCS2
A:
[1-191]
M
A
E
P
L
L
V
V
G
L
G
N
P
G
P
T
Y
A
K
T
R
H
N
L
G
F
M
V
A
D
V
L
A
G
R
I
G
S
A
F
K
V
H
K
K
S
G
A
E
V
V
T
G
R
L
A
G
T
T
V
V
L
A
K
P
R
I
S
M
N
E
S
G
R
Q
V
G
P
L
A
K
F
Y
S
V
P
P
Q
Q
I
V
V
I
H
D
E
L
D
I
D
F
G
R
I
R
L
K
L
G
G
G
E
G
G
H
N
G
L
R
S
V
A
S
A
L
G
-
T
K
N
-
F
H
R
V
R
I
G
V
G
R
P
P
G
---
R
K
D
P
A
A
F
V
L
E
N
F
T
S
A
E
R
A
E
V
P
T
I
V
E
Q
A
A
D
A
T
E
L
L
I
A
Q
-
G
L
E
P
A
Q
N
T
V
H
A
W
8
PsiBlast_PDB
94.85
100%
-108
- C6 -
3TD6
-
PTH_MYCTU
A:
[1-184]
M
A
E
P
L
L
V
V
G
L
G
N
P
G
A
N
Y
A
R
T
R
H
N
L
G
F
V
V
A
D
L
L
A
A
R
L
G
A
K
F
K
A
H
K
R
S
G
A
E
V
A
T
G
R
S
A
G
R
S
L
V
L
A
K
P
R
C
Y
M
N
E
S
G
R
Q
I
G
P
L
A
K
F
Y
S
V
A
P
A
N
I
I
V
I
H
D
D
L
D
L
E
F
G
R
I
R
L
K
I
G
G
G
E
G
G
H
N
G
L
R
S
V
V
A
A
L
G
-
T
K
D
-
F
Q
R
V
R
I
G
I
G
R
P
P
G
---
R
K
D
P
A
A
F
V
L
E
N
F
T
P
A
E
R
A
E
V
P
T
I
C
E
Q
A
A
D
A
T
E
L
L
I
E
Q
-
G
M
E
P
A
-------
4
PsiBlast_PDB
94.63
100%
-106
- C6 -
2Z2K
1
PTH_MYCTU
A:
[1-180]
M
A
E
P
L
L
V
V
G
L
G
N
P
G
A
N
Y
A
R
T
R
H
N
L
G
F
V
V
A
D
L
L
A
A
R
L
G
A
K
F
K
A
H
K
R
S
G
A
E
V
A
T
G
R
S
A
G
R
S
L
V
L
A
K
P
R
C
Y
M
N
E
S
G
R
Q
I
G
P
L
A
K
F
Y
S
V
A
P
A
N
I
I
V
I
H
D
D
L
D
L
E
F
G
R
I
R
L
K
I
G
G
G
E
G
G
H
N
G
L
R
S
V
V
A
A
L
G
-
T
K
D
-
F
Q
R
V
R
I
G
I
G
R
P
P
G
---
R
K
D
P
A
A
F
V
L
E
N
F
T
P
A
E
R
A
E
V
P
T
I
C
E
Q
A
A
D
A
T
E
L
L
I
E
Q
-
G
-----------
6
PsiBlast_PDB
94.59
100%
-108
- C6 -
3TCN
-
PTH_MYCTU
A:
[1-182]
M
A
E
P
L
L
V
V
G
L
G
N
P
G
A
N
Y
A
R
T
R
H
N
L
G
F
V
V
A
D
L
L
A
A
R
L
G
A
K
F
K
A
H
K
R
S
G
A
E
V
A
T
G
R
S
A
G
R
S
L
V
L
A
K
P
R
C
Y
M
N
E
S
G
R
Q
I
G
P
L
A
K
F
Y
S
V
A
P
A
N
I
I
V
I
H
D
D
L
D
L
E
F
G
R
I
R
L
K
I
G
G
G
E
G
G
H
N
G
L
R
S
V
V
A
A
L
G
-
T
K
D
-
F
Q
R
V
R
I
G
I
G
R
P
P
G
---
R
K
D
P
A
A
F
V
L
E
N
F
T
P
A
E
R
A
E
V
P
T
I
C
E
Q
A
A
D
A
T
E
L
L
I
E
Q
-
G
M
E
---------
12
PsiBlast_PDB
94.24
80%
-99
- C6 -
3P2J
-
PTH_MYCS2
A:
[1-191]
M
A
E
P
L
L
V
V
G
L
G
N
P
G
P
T
Y
A
K
T
R
H
N
L
G
F
M
V
A
D
V
L
A
G
R
I
G
S
A
F
K
V
H
K
K
S
G
A
E
V
V
T
G
R
L
A
G
T
T
V
V
L
A
K
P
R
I
S
M
N
E
S
G
R
Q
V
G
P
L
A
K
F
Y
S
V
P
P
Q
Q
I
V
V
I
H
D
E
L
D
I
D
F
G
R
I
R
L
K
L
G
G
G
E
G
G
H
N
G
L
R
S
V
A
S
A
L
G
-
T
K
N
-
F
H
R
V
R
I
G
V
G
R
P
P
G
---
R
K
D
P
A
A
F
V
L
E
N
F
T
S
A
E
R
A
E
V
P
T
I
V
E
Q
A
A
D
A
T
E
L
L
I
A
Q
-
G
L
E
P
A
Q
N
T
V
H
A
W
45
HHSearch
94.15
100%
-108
- C6 -
2Z2I
-
PTH_MYCTU
A:
[1-179]
M
A
E
P
L
L
V
V
G
L
G
N
P
G
A
N
Y
A
R
T
R
H
N
L
G
F
V
V
A
D
L
L
A
A
R
L
G
A
K
F
K
A
H
K
R
S
G
A
E
V
A
T
G
R
S
A
G
R
S
L
V
L
A
K
P
R
C
Y
M
N
E
S
G
R
Q
I
G
P
L
A
K
F
Y
S
V
A
P
A
N
I
I
V
I
H
D
D
L
D
L
E
F
G
R
I
R
L
K
I
G
G
G
E
G
G
H
N
G
L
R
S
V
V
A
A
L
G
-
T
K
D
-
F
Q
R
V
R
I
G
I
G
R
P
P
G
---
R
K
D
P
A
A
F
V
L
E
N
F
T
P
A
E
R
A
E
V
P
T
I
C
E
Q
A
A
D
A
T
E
L
L
I
E
Q
-------------
2
PsiBlast_PDB
94.15
100%
-108
- C6 -
2Z2I
-
PTH_MYCTU
A:
[1-179]
M
A
E
P
L
L
V
V
G
L
G
N
P
G
A
N
Y
A
R
T
R
H
N
L
G
F
V
V
A
D
L
L
A
A
R
L
G
A
K
F
K
A
H
K
R
S
G
A
E
V
A
T
G
R
S
A
G
R
S
L
V
L
A
K
P
R
C
Y
M
N
E
S
G
R
Q
I
G
P
L
A
K
F
Y
S
V
A
P
A
N
I
I
V
I
H
D
D
L
D
L
E
F
G
R
I
R
L
K
I
G
G
G
E
G
G
H
N
G
L
R
S
V
V
A
A
L
G
-
T
K
D
-
F
Q
R
V
R
I
G
I
G
R
P
P
G
---
R
K
D
P
A
A
F
V
L
E
N
F
T
P
A
E
R
A
E
V
P
T
I
C
E
Q
A
A
D
A
T
E
L
L
I
E
Q
-------------
11
PsiBlast_PDB
92.40
80%
-101
- C6 -
3KK0
8
PTH_MYCS2
A:
[1-191]
M
A
E
P
L
L
V
V
G
L
G
N
P
G
P
T
Y
A
K
T
R
H
N
L
G
F
M
V
A
D
V
L
A
G
R
I
G
S
A
F
K
V
H
K
K
S
G
A
E
V
V
T
G
R
L
A
G
T
T
V
V
L
A
K
P
R
I
S
M
N
E
S
G
R
Q
V
G
P
L
A
K
F
Y
S
V
P
P
Q
Q
I
V
V
I
H
D
E
L
D
I
D
F
G
R
I
R
L
K
L
G
G
G
E
G
G
H
N
G
L
R
S
V
A
S
A
L
G
-
T
K
N
-
F
H
R
V
R
I
G
V
G
R
P
P
G
---
R
K
D
P
A
A
F
V
L
E
N
F
T
S
A
E
R
A
E
V
P
T
I
V
E
Q
A
A
D
A
T
E
L
L
I
A
Q
-
G
L
E
P
A
Q
N
T
V
H
A
W
1
PsiBlast_PDB
92.27
100%
-87
- C6 -
2JRC
-
PTH_MYCTU
A:
[1-191]
M
A
E
P
L
L
V
V
G
L
G
N
P
G
A
N
Y
A
R
T
R
H
N
L
G
F
V
V
A
D
L
L
A
A
R
L
G
A
K
F
K
A
H
K
R
S
G
A
E
V
A
T
G
R
S
A
G
R
S
L
V
L
A
K
P
R
C
Y
M
N
E
S
G
R
Q
I
G
P
L
A
K
F
Y
S
V
A
P
A
N
I
I
V
I
H
D
D
L
D
L
E
F
G
R
I
R
L
K
I
G
G
G
E
G
G
H
N
G
L
R
S
V
V
A
A
L
G
-
T
K
D
-
F
Q
R
V
R
I
G
I
G
R
P
P
G
---
R
K
D
P
A
A
F
V
L
E
N
F
T
P
A
E
R
A
E
V
P
T
I
C
E
Q
A
A
D
A
T
E
L
L
I
E
Q
-
G
M
E
P
A
Q
N
R
V
H
A
W
9
PsiBlast_PDB
88.42
82%
-84
- C6 -
2LGJ
-
PTH_MYCS2
A:
[1-191]
M
A
E
P
L
L
V
V
G
L
G
N
P
G
P
T
Y
A
K
T
R
H
N
L
G
F
M
V
A
D
V
L
A
G
R
I
G
S
A
F
K
V
H
K
K
S
G
A
E
V
V
T
G
R
L
A
G
T
S
V
V
L
A
K
P
R
C
Y
M
N
E
S
G
R
Q
V
G
P
L
A
K
F
Y
S
V
P
P
Q
Q
I
V
V
I
H
D
E
L
D
I
D
F
G
R
I
R
L
K
L
G
G
G
E
G
G
H
N
G
L
R
S
V
A
S
A
L
G
-
T
K
N
-
F
H
R
V
R
I
G
V
G
R
P
P
G
---
R
K
D
P
A
A
F
V
L
E
N
F
T
A
A
E
R
A
E
V
P
T
I
V
E
Q
A
A
D
A
T
E
L
L
I
A
Q
-
G
L
E
P
A
Q
N
T
V
H
A
W
54
HHSearch
82.51
40%
-95
- C6 -
3V2I
1
PTH_BURTA
A:
[22-217]
--
M
I
K
L
I
V
G
L
G
N
P
G
A
E
Y
T
A
T
R
H
N
A
G
F
W
L
V
D
Q
L
A
R
E
A
G
A
T
L
R
D
E
R
R
F
H
G
F
Y
A
K
A
R
L
Y
G
E
E
V
H
L
L
E
P
Q
T
Y
M
N
R
S
G
Q
S
V
V
A
L
A
H
F
F
K
I
L
P
N
E
I
L
V
A
H
D
E
L
D
L
P
P
G
A
V
K
L
K
L
G
G
G
S
G
G
H
N
G
L
K
D
I
S
A
H
L
S
-
S
Q
Q
-
Y
W
R
L
R
I
G
I
G
H
P
R
D
MIP--
D
V
A
N
F
V
L
K
P
P
R
K
E
E
Q
D
V
I
D
A
A
I
E
R
A
L
A
V
M
P
A
V
V
K
G
-
E
T
E
R
A
M
M
Q
L
---
22
PsiBlast_CBE
81.58
39%
-97
- C6 -
4JY7
8
?
A:
[1-190]
M
S
N
I
S
L
I
V
G
L
G
N
P
G
S
E
Y
A
Q
T
R
H
N
A
G
F
W
F
V
E
Q
L
A
D
K
Y
G
I
T
L
K
N
D
P
K
F
H
G
I
S
G
R
G
N
I
E
G
H
D
V
R
L
L
L
P
M
T
Y
M
N
R
S
G
Q
S
V
V
P
F
S
K
F
Y
Q
I
A
P
E
A
I
L
I
A
H
D
E
L
D
M
N
P
G
V
I
R
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
V
P
H
I
G
-
P
-
N
-
F
H
R
L
R
I
G
I
G
H
P
G
S
---
K
E
R
V
S
G
H
V
L
G
K
A
P
S
N
E
Q
S
L
M
D
G
A
I
D
H
A
L
S
K
V
K
L
L
V
Q
G
-
Q
V
P
Q
A
M
N
Q
I
N
A
Y
53
HHSearch
81.55
40%
-101
- C6 -
1RYB
-
CRS2_MAIZE
A:
[1-190]
-
Y
T
P
W
L
I
A
G
L
G
N
P
G
N
K
Y
Y
G
T
R
H
N
V
G
F
E
M
V
D
R
I
A
A
E
E
G
I
T
M
N
T
I
Q
S
-
K
S
L
L
G
I
G
S
I
G
E
V
P
V
L
V
V
K
P
Q
S
Y
M
N
Y
S
G
E
A
I
G
P
L
A
A
Y
Y
Q
V
P
L
R
H
I
L
L
I
Y
D
D
T
S
L
P
N
G
V
L
R
L
Q
K
K
G
G
H
G
R
H
N
G
L
Q
N
V
I
E
H
L
D
G
R
R
E
-
F
P
R
L
S
I
G
I
G
S
P
P
G
---
K
M
D
P
R
A
F
L
L
Q
K
F
S
S
E
E
R
V
Q
I
D
T
A
L
E
Q
G
V
D
A
V
R
T
L
V
L
K
-
G
-----
E
R
F
N
L
V
27
PsiBlast_CBE
81.55
39%
-99
- C6 -
4LWQ
2
?
A:
[4-193]
M
S
N
I
S
L
I
V
G
L
G
N
P
G
S
E
Y
A
Q
T
R
H
N
A
G
F
W
F
V
E
Q
L
A
D
K
Y
G
I
T
L
K
N
D
P
K
F
H
G
I
S
G
R
G
N
I
E
G
H
D
V
R
L
L
L
P
M
T
Y
M
N
R
S
G
Q
S
V
V
P
F
S
K
F
Y
Q
I
A
P
E
A
I
L
I
A
H
D
E
L
D
M
N
P
G
V
I
R
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
V
P
H
I
G
-
P
-
N
-
F
H
R
L
R
I
G
I
G
H
P
G
S
---
K
E
R
V
S
G
H
V
L
G
K
A
P
S
N
E
Q
S
L
M
D
G
A
I
D
H
A
L
S
K
V
K
L
L
V
Q
G
-
Q
V
P
Q
A
M
N
Q
I
N
A
Y
49
HHSearch
81.36
35%
-101
- C6 -
4YLY
4
PTH_STAAU
A:
[1-188]
---
M
K
C
I
V
G
L
G
N
I
G
K
R
F
E
L
T
R
H
N
I
G
F
E
V
V
D
Y
I
L
E
K
N
N
F
S
L
D
K
Q
K
-
F
K
G
A
Y
T
I
E
R
M
N
G
D
K
V
L
F
I
E
P
M
T
M
M
N
L
S
G
E
A
V
A
P
I
M
D
Y
Y
N
V
N
P
E
D
L
I
V
L
Y
D
D
L
D
L
E
Q
G
Q
V
R
L
R
Q
K
G
S
A
G
G
H
N
G
M
K
S
I
I
K
M
L
G
-
T
D
Q
-
F
K
R
I
R
I
G
V
G
R
P
T
N
---
G
M
T
V
P
D
Y
V
L
Q
R
F
S
N
D
E
M
V
T
M
E
K
V
I
E
H
A
A
R
A
I
E
K
F
V
E
T
S
R
F
D
H
V
M
N
E
F
N
G
E
19
PsiBlast_PDB
81.24
39%
-99
- C6 -
4FOT
3
?
A:
[1-190]
M
S
N
I
S
L
I
V
G
L
G
N
P
G
S
E
Y
A
Q
T
R
H
N
A
G
F
W
F
V
E
Q
L
A
D
K
Y
G
I
T
L
K
N
D
P
K
F
H
G
I
S
G
R
G
N
I
E
G
H
D
V
R
L
L
L
P
M
T
Y
M
N
R
S
G
Q
S
V
V
P
F
S
K
F
Y
Q
I
A
P
E
A
I
L
I
A
H
D
E
L
D
M
N
P
G
V
I
R
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
V
P
H
I
G
-
P
-
N
-
F
H
R
L
R
I
G
I
G
H
P
G
S
---
K
E
R
V
S
G
H
V
L
G
K
A
P
S
N
E
Q
S
L
M
D
G
A
I
D
H
A
L
S
K
V
K
L
L
V
Q
G
-
Q
V
P
Q
A
M
N
Q
I
N
A
Y
18
PsiBlast_PDB
81.23
39%
-99
- C6 -
4FOP
7
?
A:
[1-190]
M
S
N
I
S
L
I
V
G
L
G
N
P
G
S
E
Y
A
Q
T
R
H
N
A
G
F
W
F
V
E
Q
L
A
D
K
Y
G
I
T
L
K
N
D
P
K
F
H
G
I
S
G
R
G
N
I
E
G
H
D
V
R
L
L
L
P
M
T
Y
M
N
R
S
G
Q
S
V
V
P
F
S
K
F
Y
Q
I
A
P
E
A
I
L
I
A
H
D
E
L
D
M
N
P
G
V
I
R
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
V
P
H
I
G
-
P
-
N
-
F
H
R
L
R
I
G
I
G
H
P
G
S
---
K
E
R
V
S
G
H
V
L
G
K
A
P
S
N
E
Q
S
L
M
D
G
A
I
D
H
A
L
S
K
V
K
L
L
V
Q
G
-
Q
V
P
Q
A
M
N
Q
I
N
A
Y
25
PsiBlast_CBE
81.12
39%
-98
- C6 -
4IKO
8
?
A:
[1-190]
M
S
N
I
S
L
I
V
G
L
G
N
P
G
S
E
Y
A
Q
T
R
H
N
A
G
F
W
F
V
E
Q
L
A
D
K
Y
G
I
T
L
K
N
D
P
K
F
H
G
I
S
G
R
G
N
I
E
G
H
D
V
R
L
L
L
P
M
T
Y
M
N
R
S
G
Q
S
V
V
P
F
S
K
F
Y
Q
I
A
P
E
A
I
L
I
A
H
D
E
L
D
M
N
P
G
V
I
R
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
V
P
H
I
G
-
P
-
N
-
F
H
R
L
R
I
G
I
G
H
P
G
S
---
K
E
R
V
S
G
H
V
L
G
K
A
P
S
N
E
Q
S
L
M
D
G
A
I
D
H
A
L
S
K
V
K
L
L
V
Q
G
-
Q
V
P
Q
A
M
N
Q
I
N
A
Y
20
PsiBlast_PDB
81.02
39%
-97
- C6 -
4HOY
8
?
A:
[1-190]
M
S
N
I
S
L
I
V
G
L
G
N
P
G
S
E
Y
A
Q
T
R
H
N
A
G
F
W
F
V
E
Q
L
A
D
K
Y
G
I
T
L
K
N
D
P
K
F
H
G
I
S
G
R
G
N
I
E
G
H
D
V
R
L
L
L
P
M
T
Y
M
N
R
S
G
Q
S
V
V
P
F
S
K
F
Y
Q
I
A
P
E
A
I
L
I
A
H
D
E
L
D
M
N
P
G
V
I
R
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
V
P
H
I
G
-
P
-
N
-
F
H
R
L
R
I
G
I
G
H
P
G
S
---
K
E
R
V
S
G
H
V
L
G
K
A
P
S
N
E
Q
S
L
M
D
G
A
I
D
H
A
L
S
K
V
K
L
L
V
Q
G
-
Q
V
P
Q
A
M
N
Q
I
N
A
Y
23
PsiBlast_CBE
80.88
39%
-97
- C6 -
4JX9
1
?
A:
[1-190]
M
S
N
I
S
L
I
V
G
L
G
N
P
G
S
E
Y
A
Q
T
R
H
N
A
G
F
W
F
V
E
Q
L
A
D
K
Y
G
I
T
L
K
N
D
P
K
F
H
G
I
S
G
R
G
N
I
E
G
H
D
V
R
L
L
L
P
M
T
Y
M
N
R
S
G
Q
S
V
V
P
F
S
K
F
Y
Q
I
A
P
E
A
I
L
I
A
H
D
E
L
D
M
N
P
G
V
I
R
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
V
P
H
I
G
-
P
-
N
-
F
H
R
L
R
I
G
I
G
H
P
G
S
---
K
E
R
V
S
G
H
V
L
G
K
A
P
S
N
E
Q
S
L
M
D
G
A
I
D
H
A
L
S
K
V
K
L
L
V
Q
G
-
Q
V
P
Q
A
M
N
Q
I
N
A
Y
29
PsiBlast_CBE
80.71
38%
-97
- C6 -
4OLJ
2
?
A:
[4-193]
M
S
N
I
S
L
I
V
G
L
G
N
P
G
S
E
Y
A
Q
T
R
H
N
A
G
F
W
F
V
E
Q
L
A
D
K
Y
G
I
T
L
K
N
D
P
K
F
H
G
I
S
G
R
G
N
I
E
G
H
D
V
R
L
L
L
P
M
T
Y
M
N
R
S
G
Q
S
V
V
P
F
S
K
F
Y
Q
I
A
P
E
A
I
L
I
A
H
D
E
L
D
M
N
P
G
V
I
R
L
K
T
G
G
G
H
G
G
H
N
G
L
Q
D
I
V
P
H
I
G
-
P
-
N
-
F
H
R
L
R
I
G
I
G
H
P
G
S
---
K
E
R
V
S
G
H
V
L
G
K
A
P
S
N
E
Q
S
L
M
D
G
A
I
D
H
A
L
S
K
V
K
L
L
V
Q
G
-
Q
V
P
Q
A
M
N
Q
I
N
A
Y
24
PsiBlast_CBE
80.58
39%
-97
- C6 -
4JWK
1
?
A:
[1-190]
M
S
N
I
S
L
I
V
G
L
G
N
P
G
S
E
Y
A
Q
T
R
H
N
A
G
F
W
F
V
E
Q
L
A
D
K
Y
G
I
T
L
K
N
D
P
K
F
H
G
I
S
G
R
G
N
I
E
G
H
D
V
R
L
L
L
P
M
T
Y
M
N
R
S
G
Q
S
V
V
P
F
S
K
F
Y
Q
I
A
P
E
A
I
L
I
A
H
D
E
L
D
M
N
P
G
V
I
R
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
V
P
H
I
G
-
P
-
N
-
F
H
R
L
R
I
G
I
G
H
P
G
S
---
K
E
R
V
S
G
H
V
L
G
K
A
P
S
N
E
Q
S
L
M
D
G
A
I
D
H
A
L
S
K
V
K
L
L
V
Q
G
-
Q
V
P
Q
A
M
N
Q
I
N
A
Y
43
PsiBlast_CBE
79.19
36%
-93
- C6 -
4DHW
1
PTH_PSEAE
B:
[6-191]
-----
L
I
V
G
L
G
N
P
G
P
E
Y
D
Q
T
R
H
N
A
G
A
L
F
V
E
R
L
A
H
A
Q
G
V
S
L
V
A
D
R
K
Y
F
G
L
V
G
K
F
S
H
Q
G
K
D
V
R
L
L
I
P
T
T
Y
M
N
R
S
G
Q
S
V
A
A
L
A
G
F
F
R
I
A
P
D
A
I
L
V
A
H
D
E
L
D
M
P
P
G
V
A
K
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
I
A
Q
L
G
-
N
Q
N
S
F
H
R
L
R
L
G
I
G
H
P
G
H
---
S
S
L
V
S
G
Y
V
L
G
R
A
P
R
S
E
Q
E
L
L
D
T
S
I
D
F
A
L
G
V
L
P
E
M
L
A
G
-
D
W
T
R
A
M
Q
K
L
H
S
-
44
PsiBlast_CBE
78.48
36%
-94
- C6 -
4DHW
1
PTH_PSEAE
A:
[6-191]
-----
L
I
V
G
L
G
N
P
G
P
E
Y
D
Q
T
R
H
N
A
G
A
L
F
V
E
R
L
A
H
A
Q
G
V
S
L
V
A
D
R
K
Y
F
G
L
V
G
K
F
S
H
Q
G
K
D
V
R
L
L
I
P
T
T
Y
M
N
R
S
G
Q
S
V
A
A
L
A
G
F
F
R
I
A
P
D
A
I
L
V
A
H
D
E
L
D
M
P
P
G
V
A
K
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
I
A
Q
L
G
-
N
Q
N
S
F
H
R
L
R
L
G
I
G
H
P
G
H
---
S
S
L
V
S
G
Y
V
L
G
R
A
P
R
S
E
Q
E
L
L
D
T
S
I
D
F
A
L
G
V
L
P
E
M
L
A
G
-
D
W
T
R
A
M
Q
K
L
H
S
-
40
PsiBlast_CBE
78.19
36%
-94
- C6 -
4ERX
1
PTH_PSEAE
A:
[6-191]
-----
L
I
V
G
L
G
N
P
G
P
E
Y
D
Q
T
R
H
N
A
G
A
L
F
V
E
R
L
A
H
A
Q
G
V
S
L
V
A
D
R
K
Y
F
G
L
V
G
K
F
S
H
Q
G
K
D
V
R
L
L
I
P
T
T
Y
M
N
R
S
G
Q
S
V
A
A
L
A
G
F
F
R
I
A
P
D
A
I
L
V
A
H
D
E
L
D
M
P
P
G
V
A
K
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
I
A
Q
L
G
-
N
Q
N
S
F
H
R
L
R
L
G
I
G
H
P
G
H
---
S
S
L
V
S
G
Y
V
L
G
R
A
P
R
S
E
Q
E
L
L
D
T
S
I
D
F
A
L
G
V
L
P
E
M
L
A
G
-
D
W
T
R
A
M
Q
K
L
H
S
-
41
PsiBlast_CBE
78.15
36%
-89
- C6 -
4DJJ
1
PTH_PSEAE
B:
[6-191]
-----
L
I
V
G
L
G
N
P
G
P
E
Y
D
Q
T
R
H
N
A
G
A
L
F
V
E
R
L
A
H
A
Q
G
V
S
L
V
A
D
R
K
Y
F
G
L
V
G
K
F
S
H
Q
G
K
D
V
R
L
L
I
P
T
T
Y
M
N
R
S
G
Q
S
V
A
A
L
A
G
F
F
R
I
A
P
D
A
I
L
V
A
H
D
E
L
D
M
P
P
G
V
A
K
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
I
A
Q
L
G
-
N
Q
N
S
F
H
R
L
R
L
G
I
G
H
P
G
H
---
S
S
L
V
S
G
Y
V
L
G
R
A
P
R
S
E
Q
E
L
L
D
T
S
I
D
F
A
L
G
V
L
P
E
M
L
A
G
-
D
W
T
R
A
M
Q
K
L
H
S
-
42
PsiBlast_CBE
78.05
36%
-89
- C6 -
4DJJ
1
PTH_PSEAE
A:
[6-191]
-----
L
I
V
G
L
G
N
P
G
P
E
Y
D
Q
T
R
H
N
A
G
A
L
F
V
E
R
L
A
H
A
Q
G
V
S
L
V
A
D
R
K
Y
F
G
L
V
G
K
F
S
H
Q
G
K
D
V
R
L
L
I
P
T
T
Y
M
N
R
S
G
Q
S
V
A
A
L
A
G
F
F
R
I
A
P
D
A
I
L
V
A
H
D
E
L
D
M
P
P
G
V
A
K
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
I
A
Q
L
G
-
N
Q
N
S
F
H
R
L
R
L
G
I
G
H
P
G
H
---
S
S
L
V
S
G
Y
V
L
G
R
A
P
R
S
E
Q
E
L
L
D
T
S
I
D
F
A
L
G
V
L
P
E
M
L
A
G
-
D
W
T
R
A
M
Q
K
L
H
S
-
34
PsiBlast_CBE
77.91
36%
-96
- C6 -
4QD3
2
PTH_PSEAE
A:
[6-191]
-----
L
I
V
G
L
G
N
P
G
P
E
Y
D
Q
T
R
H
N
A
G
A
L
F
V
E
R
L
A
H
A
Q
G
V
S
L
V
A
D
R
K
Y
F
G
L
V
G
K
F
S
H
Q
G
K
D
V
R
L
L
I
P
T
T
Y
M
N
R
S
G
Q
S
V
A
A
L
A
G
F
F
R
I
A
P
D
A
I
L
V
A
H
D
E
L
D
M
P
P
G
V
A
K
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
I
A
Q
L
G
-
N
Q
N
S
F
H
R
L
R
L
G
I
G
H
P
G
H
---
S
S
L
V
S
G
Y
V
L
G
R
A
P
R
S
E
Q
E
L
L
D
T
S
I
D
F
A
L
G
V
L
P
E
M
L
A
G
-
D
W
T
R
A
M
Q
K
L
H
S
-
37
PsiBlast_CBE
77.90
36%
-98
- C6 -
4FNO
5
PTH_PSEAE
B:
[6-191]
-----
L
I
V
G
L
G
N
P
G
P
E
Y
D
Q
T
R
H
N
A
G
A
L
F
V
E
R
L
A
H
A
Q
G
V
S
L
V
A
D
R
K
Y
F
G
L
V
G
K
F
S
H
Q
G
K
D
V
R
L
L
I
P
T
T
Y
M
N
R
S
G
Q
S
V
A
A
L
A
G
F
F
R
I
A
P
D
A
I
L
V
A
H
D
E
L
D
M
P
P
G
V
A
K
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
I
A
Q
L
G
-
N
Q
N
S
F
H
R
L
R
L
G
I
G
H
P
G
H
---
S
S
L
V
S
G
Y
V
L
G
R
A
P
R
S
E
Q
E
L
L
D
T
S
I
D
F
A
L
G
V
L
P
E
M
L
A
G
-
D
W
T
R
A
M
Q
K
L
H
S
-
52
HHSearch
77.75
37%
-94
- C6 -
3NEA
6
PTH_FRATT
A:
[21-207]
-
P
K
I
K
M
I
I
G
L
G
N
I
G
K
E
Y
Q
D
T
R
H
N
V
G
E
W
F
I
A
K
I
A
Q
D
N
N
Q
S
F
S
S
N
P
K
L
N
C
N
L
A
K
V
S
I
D
Y
N
N
V
V
L
V
F
P
T
T
Y
M
N
N
S
G
L
A
V
S
K
V
A
N
F
Y
K
I
A
P
A
E
I
L
V
V
H
D
E
L
D
I
D
S
G
E
I
R
L
K
K
G
G
G
H
G
G
H
N
G
L
R
S
I
N
Q
H
L
G
-
T
N
D
-
Y
L
R
L
R
I
G
I
G
H
P
G
H
---
K
S
K
V
A
N
Y
V
L
S
N
P
S
I
A
Q
K
K
D
I
D
S
A
I
D
N
G
I
C
F
L
D
D
I
I
N
Y
-
K
L
E
P
V
M
Q
K
L
---
32
PsiBlast_CBE
77.75
37%
-94
- C6 -
3NEA
6
PTH_FRATT
A:
[21-207]
-
P
K
I
K
M
I
I
G
L
G
N
I
G
K
E
Y
Q
D
T
R
H
N
V
G
E
W
F
I
A
K
I
A
Q
D
N
N
Q
S
F
S
S
N
P
K
L
N
C
N
L
A
K
V
S
I
D
Y
N
N
V
V
L
V
F
P
T
T
Y
M
N
N
S
G
L
A
V
S
K
V
A
N
F
Y
K
I
A
P
A
E
I
L
V
V
H
D
E
L
D
I
D
S
G
E
I
R
L
K
K
G
G
G
H
G
G
H
N
G
L
R
S
I
N
Q
H
L
G
-
T
N
D
-
Y
L
R
L
R
I
G
I
G
H
P
G
H
---
K
S
K
V
A
N
Y
V
L
S
N
P
S
I
A
Q
K
K
D
I
D
S
A
I
D
N
G
I
C
F
L
D
D
I
I
N
Y
-
K
L
E
P
V
M
Q
K
L
---
39
PsiBlast_CBE
77.71
36%
-91
- C6 -
4ERX
1
PTH_PSEAE
B:
[6-191]
-----
L
I
V
G
L
G
N
P
G
P
E
Y
D
Q
T
R
H
N
A
G
A
L
F
V
E
R
L
A
H
A
Q
G
V
S
L
V
A
D
R
K
Y
F
G
L
V
G
K
F
S
H
Q
G
K
D
V
R
L
L
I
P
T
T
Y
M
N
R
S
G
Q
S
V
A
A
L
A
G
F
F
R
I
A
P
D
A
I
L
V
A
H
D
E
L
D
M
P
P
G
V
A
K
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
I
A
Q
L
G
-
N
Q
N
S
F
H
R
L
R
L
G
I
G
H
P
G
H
---
S
S
L
V
S
G
Y
V
L
G
R
A
P
R
S
E
Q
E
L
L
D
T
S
I
D
F
A
L
G
V
L
P
E
M
L
A
G
-
D
W
T
R
A
M
Q
K
L
H
S
-
35
PsiBlast_CBE
77.34
36%
-94
- C6 -
4QBK
2
PTH_PSEAE
A:
[6-191]
-----
L
I
V
G
L
G
N
P
G
P
E
Y
D
Q
T
R
H
N
A
G
A
L
F
V
E
R
L
A
H
A
Q
G
V
S
L
V
A
D
R
K
Y
F
G
L
V
G
K
F
S
H
Q
G
K
D
V
R
L
L
I
P
T
T
Y
M
N
R
S
G
Q
S
V
A
A
L
A
G
F
F
R
I
A
P
D
A
I
L
V
A
H
D
E
L
D
M
P
P
G
V
A
K
L
K
T
G
G
G
H
G
G
H
N
G
L
R
D
I
I
A
Q
L
G
-
N
Q
N
S
F
H
R
L
R
L
G
I
G
H
P
G
H
---
S
S
L
V
S
G
Y
V
L
G
R
A
P
R
S
E
Q
E
L
L
D
T
S
I
D
F
A
L
G
V
L
P
E
M
L
A
G
-
D
W
T
R
A
M
Q
K
L
H
S
-