@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 : Lmo0317: (2016-03-14 )
MTFPQVLTIAGSDSGGGAGIQADIKTFQERRTFGMSVITAITAQNTLGVKAVHKIPVEMIREQCDAIAEDFQVSAVKTGMLADAEIIREVVRNIRLHNFPNLVIDPVMIAKGGTALLENEATQVLKDELLPLGTIITPNIPEAEEILGEKITTKAEIERAAKKIYDMGVKAVVIKGGHSEMTEAADFYFDGVTAKWLTSERFDTPHTHGTGCTFSACIAAELAKGNSLLDSVMVAKEFISSAIKYPLGIGHGHGPTNHFAYRMEDGK
Atome Classification :
(29 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)
MTF
P
Q
V
L
T
I
AGSDSGGGAG
I
Q
A
D
I
K
T
F
Q
E
R
R
T
F
G
M
S
V
I
T
A
I
-TAQ--NT--L
G
V
K
A
V
H
KI
P
V
E
M
I
R
E
Q
C
D
A
I
A
E
D
F
Q
V
S
A
V
KTGMLA
D
A
E
I
I
R
E
V
V
R
NIRLHNFPNLVID
P
V
M
IAKGG
T
A
L
L
E
N
E
A
T
Q
V
L
K
D
ELLPLGTIITPNIP
E
A
E
E
I
L
-
G
-EKIT-
T
K
A
E
I
E
R
A
A
K
K
I
Y
DMG
V
K
A
V
V
I
KGGH
S
-
E
M
T
-
E
-
A
A
D
F
Y
FDGV
T
A
K
W
L
T
SERFDTPHTHGTG
C
T
F
S
A
C
I
A
A
E
L
AKG
N
S
L
L
D
S
V
M
V
A
K
E
F
I
S
S
A
IKYP--LGIGHGHGPTN
H
F
A
Y
-RMEDGK
2
PsiBlast_PDB
86.33
45%
-82
- C1 -
2I5B
1
PDXK_BACSU
A:
[3-267]
--
M
H
K
A
L
T
I
A
G
S
D
S
S
G
G
A
G
I
Q
A
D
L
K
T
F
Q
E
K
N
V
Y
G
M
T
A
L
T
V
I
-
V
A
M
D
P
N
N
--
S
W
N
H
Q
V
F
P
I
D
T
D
T
I
R
A
Q
L
A
T
I
T
D
G
I
G
V
D
A
M
K
T
G
M
L
P
T
V
D
I
I
E
L
A
A
K
T
I
K
E
K
Q
L
K
N
V
V
I
D
P
V
M
V
C
K
G
A
N
E
V
L
Y
P
E
H
A
Q
A
L
R
E
Q
L
A
P
L
A
T
V
I
T
P
N
L
F
E
A
S
Q
L
S
-
G
M
D
E
L
K
-
T
V
D
D
M
I
E
A
A
K
K
I
H
A
L
G
A
Q
Y
V
V
I
T
G
G
G
K
-
L
K
H
-
E
K
A
V
D
V
L
Y
D
G
E
T
A
E
V
L
E
S
E
M
I
D
T
P
Y
T
H
G
A
G
C
T
F
S
A
A
V
T
A
E
L
A
K
G
A
E
V
K
E
A
I
Y
A
A
K
E
F
I
T
A
A
I
K
E
S
--
F
P
L
N
Q
Y
V
G
P
T
K
H
S
A
L
-
R
L
----
24
PsiBlast_CBE
86.18
45%
-81
- C1 -
2I5B
1
PDXK_BACSU
C:
[3-267]
--
M
H
K
A
L
T
I
A
G
S
D
S
S
G
G
A
G
I
Q
A
D
L
K
T
F
Q
E
K
N
V
Y
G
M
T
A
L
T
V
I
-
V
A
M
D
P
N
N
--
S
W
N
H
Q
V
F
P
I
D
T
D
T
I
R
A
Q
L
A
T
I
T
D
G
I
G
V
D
A
M
K
T
G
M
L
P
T
V
D
I
I
E
L
A
A
K
T
I
K
E
K
Q
L
K
N
V
V
I
D
P
V
M
V
C
K
G
A
N
E
V
L
Y
P
E
H
A
Q
A
L
R
E
Q
L
A
P
L
A
T
V
I
T
P
N
L
F
E
A
S
Q
L
S
-
G
M
D
E
L
K
-
T
V
D
D
M
I
E
A
A
K
K
I
H
A
L
G
A
Q
Y
V
V
I
T
G
G
G
K
-
L
K
H
-
E
K
A
V
D
V
L
Y
D
G
E
T
A
E
V
L
E
S
E
M
I
D
T
P
Y
T
H
G
A
G
C
T
F
S
A
A
V
T
A
E
L
A
K
G
A
E
V
K
E
A
I
Y
A
A
K
E
F
I
T
A
A
I
K
E
S
--
F
P
L
N
Q
Y
V
G
P
T
K
H
S
A
L
-
R
L
----
22
PsiBlast_CBE
86.18
45%
-82
- C1 -
2I5B
1
PDXK_BACSU
E:
[2-267]
-
S
M
H
K
A
L
T
I
A
G
S
D
S
S
G
G
A
G
I
Q
A
D
L
K
T
F
Q
E
K
N
V
Y
G
M
T
A
L
T
V
I
-
V
A
M
DP
N
N
--
S
W
N
H
Q
V
F
P
I
D
T
D
T
I
R
A
Q
L
A
T
I
T
D
G
I
G
V
D
A
M
K
T
G
M
L
P
T
V
D
I
I
E
L
A
A
K
T
I
K
E
K
Q
L
K
N
V
V
I
D
P
V
M
V
C
K
G
A
N
E
V
L
Y
P
E
H
A
Q
A
L
R
E
Q
L
A
P
L
A
T
V
I
T
P
N
L
F
E
A
S
Q
L
S
-
G
M
D
E
L
K
-
T
V
D
D
M
I
E
A
A
K
K
I
H
A
L
G
A
Q
Y
V
V
I
T
G
G
G
K
-
L
K
H
-
E
K
A
V
D
V
L
Y
D
G
E
T
A
E
V
L
E
S
E
M
I
D
T
P
Y
T
H
G
A
G
C
T
F
S
A
A
V
T
A
E
L
A
K
G
A
E
V
K
E
A
I
Y
A
A
K
E
F
I
T
A
A
I
K
E
S
--
F
P
L
N
Q
Y
V
G
P
T
K
H
S
A
L
-
R
L
----
23
PsiBlast_CBE
85.64
45%
-81
- C1 -
2I5B
1
PDXK_BACSU
D:
[2-267]
-
S
M
H
K
A
L
T
I
A
G
S
D
S
S
G
G
A
G
I
Q
A
D
L
K
T
F
Q
E
K
N
V
Y
G
M
T
A
L
T
V
I
-
V
A
M
DP
N
N
--
S
W
N
H
Q
V
F
P
I
D
T
D
T
I
R
A
Q
L
A
T
I
T
D
G
I
G
V
D
A
M
K
T
G
M
L
P
T
V
D
I
I
E
L
A
A
K
T
I
K
E
K
Q
L
K
N
V
V
I
D
P
V
M
V
C
K
G
A
N
E
V
L
Y
P
E
H
A
Q
A
L
R
E
Q
L
A
P
L
A
T
V
I
T
P
N
L
F
E
A
S
Q
L
S
-
G
M
D
E
L
K
-
T
V
D
D
M
I
E
A
A
K
K
I
H
A
L
G
A
Q
Y
V
V
I
T
G
G
G
K
-
L
K
H
-
E
K
A
V
D
V
L
Y
D
G
E
T
A
E
V
L
E
S
E
M
I
D
T
P
Y
T
H
G
A
G
C
T
F
S
A
A
V
T
A
E
L
A
K
G
A
E
V
K
E
A
I
Y
A
A
K
E
F
I
T
A
A
I
K
E
S
--
F
P
L
N
Q
Y
V
G
P
T
K
H
S
A
L
-
R
L
----
79
HHSearch
84.61
48%
-84
- C1 -
1UB0
7
?
A:
[1-256]
--
M
R
V
A
L
T
I
A
G
S
D
S
G
G
G
A
G
V
Q
A
D
L
K
V
F
F
R
F
G
V
Y
G
T
S
A
L
T
L
V
-
T
A
Q
--
N
T
--
L
G
V
Q
R
V
H
L
L
P
P
E
V
V
Y
A
Q
I
E
S
V
A
Q
D
F
P
L
H
A
A
K
T
G
A
L
G
D
A
A
I
V
E
A
V
A
E
A
V
R
R
F
G
V
R
P
L
V
V
D
P
V
M
---------
A
K
E
A
A
A
A
L
K
E
R
L
F
P
L
A
D
L
V
T
P
N
R
L
E
A
E
A
L
L
-
G
-
R
P
I
R
-
T
L
K
E
A
E
E
A
A
K
A
L
L
A
L
G
P
K
A
V
L
L
K
G
G
H
L
-----
E
-
A
V
D
L
L
A
T
R
G
G
V
L
R
F
S
A
P
R
V
H
T
R
N
T
H
G
T
G
C
T
L
S
A
A
I
A
A
L
L
A
K
G
R
P
L
A
E
A
V
A
E
A
K
A
Y
L
T
R
A
L
K
T
A
--
P
S
L
G
H
G
H
G
P
L
D
H
----------
80
HHSearch
83.97
46%
-77
- C1 -
2I5B
1
PDXK_BACSU
A:
[3-267]
--
M
H
K
A
L
T
I
A
G
S
D
S
S
G
G
A
G
I
Q
A
D
L
K
T
F
Q
E
K
N
V
Y
G
M
T
A
L
T
V
I
-
V
A
M
--
D
P
NN
S
W
N
H
Q
V
F
P
I
D
T
D
T
I
R
A
Q
L
A
T
I
T
D
G
I
G
V
D
A
M
K
T
G
M
L
P
T
V
D
I
I
E
L
A
A
K
T
I
K
E
K
Q
L
K
N
V
V
I
D
P
V
M
V
C
K
G
A
N
E
V
L
Y
P
E
H
A
Q
A
L
R
E
Q
L
A
P
L
A
T
V
I
T
P
N
L
F
E
A
S
Q
L
S
-
G
-
M
D
E
L
K
T
V
D
D
M
I
E
A
A
K
K
I
H
A
L
G
A
Q
Y
V
V
I
T
G
G
G
K
-
L
K
H
E
K
-
A
V
D
V
L
Y
D
G
E
T
A
E
V
L
E
S
E
M
I
D
T
P
Y
T
H
G
A
G
C
T
F
S
A
A
V
T
A
E
L
A
K
G
A
E
V
K
E
A
I
Y
A
A
K
E
F
I
T
A
A
I
K
E
S
--
F
P
L
N
Q
Y
V
G
P
T
K
H
S
A
L
-
R
L
----
25
PsiBlast_CBE
83.47
45%
-81
- C1 -
2I5B
1
PDXK_BACSU
B:
[2-267]
-
S
M
H
K
A
L
T
I
A
G
S
D
S
S
G
G
A
G
I
Q
A
D
L
K
T
F
Q
E
K
N
V
Y
G
M
T
A
L
T
V
I
-
V
A
M
D
P
N
N
--
S
W
N
H
Q
V
F
P
I
D
T
D
T
I
R
A
Q
L
A
T
I
T
D
G
I
G
V
D
A
M
K
T
G
M
L
P
T
V
D
I
I
E
L
A
A
K
T
I
K
E
K
Q
L
K
N
V
V
I
D
P
V
M
---------
Y
P
E
H
A
Q
A
L
R
E
Q
L
A
P
L
A
T
V
I
T
P
N
L
F
E
A
S
Q
L
S
-
G
M
D
E
L
K
-
T
V
D
D
M
I
E
A
A
K
K
I
H
A
L
G
A
Q
Y
V
V
I
T
G
G
G
K
-
L
K
H
-
E
K
A
V
D
V
L
Y
D
G
E
T
A
E
V
L
E
S
E
M
I
D
T
P
Y
T
H
G
A
G
C
T
F
S
A
A
V
T
A
E
L
A
K
G
A
E
V
K
E
A
I
Y
A
A
K
E
F
I
T
A
A
I
K
E
S
--
F
P
L
N
Q
Y
V
G
P
T
K
H
S
A
L
-
R
L
----
10
PsiBlast_PDB
83.08
48%
-84
- C1 -
1UB0
7
?
A:
[5-258]
------
L
T
I
A
G
S
D
S
G
G
G
A
G
V
Q
A
D
L
K
V
F
F
R
F
G
V
Y
G
T
S
A
L
T
L
V
-
T
A
Q
--
N
T
--
L
G
V
Q
R
V
H
L
L
P
P
E
V
V
Y
A
Q
I
E
S
V
A
Q
D
F
P
L
H
A
A
K
T
G
A
L
G
D
A
A
I
V
E
A
V
A
E
A
V
R
R
F
G
V
R
P
L
V
V
D
P
V
M
---------
A
K
E
A
A
A
A
L
K
E
R
L
F
P
L
A
D
L
V
T
P
N
R
L
E
A
E
A
L
L
-
G
-
R
P
I
R
-
T
L
K
E
A
E
E
A
A
K
A
L
L
A
L
G
P
K
A
V
L
L
K
G
G
H
L
-----
E
-
A
V
D
L
L
A
T
R
G
G
V
L
R
F
S
A
P
R
V
H
T
R
N
T
H
G
T
G
C
T
L
S
A
A
I
A
A
L
L
A
K
G
R
P
L
A
E
A
V
A
E
A
K
A
Y
L
T
R
A
L
K
T
A
--
P
S
L
G
H
G
H
G
P
L
D
H
W
A
--------
21
PsiBlast_CBE
81.27
50%
-104
- C1 -
4JJP
1
?
B:
[12-246]
------
L
T
I
A
G
S
D
S
S
G
G
A
G
I
Q
A
D
L
K
T
F
S
A
I
G
T
Y
G
M
S
V
I
T
A
I
-
T
A
Q
--
N
T
--
K
G
V
F
A
V
E
D
L
N
K
K
I
I
K
K
Q
I
E
A
V
F
E
D
I
P
P
R
A
V
K
I
G
M
V
S
S
P
E
I
I
L
E
I
V
E
N
L
K
K
Y
N
P
K
Y
L
V
V
D
P
V
M
I
-----
Y
L
L
K
P
E
A
K
E
N
L
I
K
Y
L
I
P
L
A
Y
I
I
T
P
N
I
P
E
A
E
E
I
T
-
G
-
I
K
I
H
-
N
V
D
D
M
K
R
V
G
E
E
I
L
Q
L
G
P
K
F
V
L
M
K
G
G
---------
A
V
D
I
L
V
G
K
N
I
F
K
V
Y
K
S
-----------
G
C
T
L
S
S
A
I
T
S
Y
L
A
L
G
Y
E
I
T
E
A
V
N
L
S
K
I
Y
I
T
E
A
----------------------------
36
PsiBlast_CBE
80.88
39%
-79
- C1 -
4C5K
5
?
D:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
C
K
G
E
D
E
V
L
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
38
PsiBlast_CBE
80.60
39%
-80
- C1 -
4C5K
4
?
B:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
C
K
--
D
E
V
L
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
6
PsiBlast_PDB
79.79
39%
-80
- C1 -
4C5K
4
?
A:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
C
K
--
D
E
V
L
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
33
PsiBlast_CBE
79.44
39%
-80
- C1 -
4C5M
5
?
B:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
C
K
G
E
D
E
V
L
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
32
PsiBlast_CBE
79.26
39%
-80
- C1 -
4C5M
5
?
C:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
C
---
D
E
V
L
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
8
PsiBlast_PDB
79.25
39%
-80
- C1 -
4C5M
5
?
A:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
C
K
---
E
V
L
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
1
PsiBlast_PDB
79.23
50%
-93
- C1 -
4JJP
-
?
A:
[12-248]
------
L
T
I
A
G
S
D
S
S
G
G
A
G
I
Q
A
D
L
K
T
F
S
A
I
G
T
Y
G
M
S
V
I
T
A
I
-
T
A
Q
--
N
T
--
K
G
V
F
A
V
E
D
L
N
K
K
I
I
K
K
Q
I
E
A
V
F
E
D
I
P
P
R
A
V
K
I
G
M
V
S
S
P
E
I
I
L
E
I
V
E
N
L
K
K
Y
N
P
K
Y
L
V
V
D
P
V
M
I
S
K
S
G
Y
Y
L
L
K
P
E
A
K
E
N
L
I
K
Y
L
I
P
L
A
Y
I
I
T
P
N
I
P
E
A
E
E
I
T
-
G
-
I
K
I
H
-
N
V
D
D
M
K
R
V
G
E
E
I
L
Q
L
G
P
K
F
V
L
M
K
G
G
H
L
-
D
-
G
-
E
-
A
V
D
I
L
V
G
K
N
I
F
K
V
Y
K
S
E
----------
G
C
T
L
S
S
A
I
T
S
Y
L
A
L
G
Y
E
I
T
E
A
V
N
L
S
K
I
Y
I
T
E
A
I
K
--------------------------
29
PsiBlast_CBE
79.11
39%
-79
- C1 -
4C5N
4
?
C:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
---------
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
40
PsiBlast_CBE
79.04
39%
-79
- C1 -
4C5J
4
?
C:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
C
K
G
E
D
E
V
L
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
37
PsiBlast_CBE
78.83
39%
-80
- C1 -
4C5K
4
?
C:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
------
E
V
L
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
5
PsiBlast_PDB
78.39
39%
-77
- C1 -
4C5J
3
?
A:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
C
K
G
E
D
E
V
L
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
31
PsiBlast_CBE
77.81
39%
-80
* C1 *
4C5M
6
?
D:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
C
K
---
E
V
L
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
30
PsiBlast_CBE
77.61
39%
-81
- C1 -
4C5N
4
?
B:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
-------
L
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
28
PsiBlast_CBE
77.45
39%
-80
- C1 -
4C5N
5
?
D:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
C
-------
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
9
PsiBlast_PDB
77.42
39%
-82
- C1 -
4C5N
2
?
A:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
--------
L
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
Q
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
26
PsiBlast_CBE
77.00
40%
-84
- C1 -
1JXI
3
THID_SALTY
B:
[29-284]
------
L
T
I
A
G
T
D
P
S
G
G
A
G
I
Q
A
D
L
K
T
F
S
A
L
G
A
Y
G
C
S
V
I
T
A
L
-
V
A
E
--
N
T
--
C
G
V
Q
S
V
Y
R
I
E
P
D
F
V
A
A
Q
L
D
S
V
F
S
D
V
R
I
D
T
T
K
I
G
M
L
A
E
T
D
I
V
E
A
V
A
E
R
L
Q
R
H
H
V
R
N
V
V
L
D
T
V
M
L
A
K
S
G
D
P
L
L
S
P
S
A
I
E
T
L
R
V
R
L
L
P
Q
V
S
L
I
T
P
N
L
P
E
A
A
A
L
L
D
A
-
P
H
A
R
-
T
E
Q
E
M
L
A
Q
G
R
A
L
L
A
M
G
C
E
A
V
L
M
K
G
------------
D
W
L
F
T
R
E
G
E
Q
R
F
---
R
V
N
T
K
N
T
H
G
T
G
C
T
L
S
A
A
L
A
A
L
R
P
R
H
R
S
W
G
E
T
V
N
E
A
K
A
W
L
S
A
A
L
A
Q
A
DT
L
E
V
G
K
G
I
G
P
V
H
H
F
---------
7
PsiBlast_PDB
76.17
39%
-77
- C1 -
4C5L
3
?
A:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
C
K
G
E
----
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
-------
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
--
S
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
4
PsiBlast_PDB
76.02
40%
-84
- C1 -
1JXI
3
THID_SALTY
A:
[29-284]
------
L
T
I
A
G
T
D
P
S
G
G
A
G
I
Q
A
D
L
K
T
F
S
A
L
G
A
Y
G
C
S
V
I
T
A
L
-
V
A
E
--
N
T
--
C
G
V
Q
S
V
Y
R
I
E
P
D
F
V
A
A
Q
L
D
S
V
F
S
D
V
R
I
D
T
T
K
I
G
M
L
A
E
T
D
I
V
E
A
V
A
E
R
L
Q
R
H
H
V
R
N
V
V
L
D
T
V
M
L
A
K
S
G
D
P
L
L
S
P
S
A
I
E
T
L
R
V
R
L
L
P
Q
V
S
L
I
T
P
N
L
P
E
A
A
A
L
L
D
A
-
P
H
A
R
-
T
E
Q
E
M
L
A
Q
G
R
A
L
L
A
M
G
C
E
A
V
L
M
K
G
------------
D
W
L
F
T
R
E
G
E
Q
R
F
---
R
V
N
T
K
N
T
H
G
T
G
C
T
L
S
A
A
L
A
A
L
R
P
R
H
R
S
W
G
E
T
V
N
E
A
K
A
W
L
S
A
A
L
A
Q
A
DT
L
E
V
G
K
G
I
G
P
V
H
H
F
---------
34
PsiBlast_CBE
75.37
39%
-72
- C1 -
4C5L
2
?
D:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
C
K
G
-----
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
--
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---
35
PsiBlast_CBE
74.82
39%
-72
- C1 -
4C5L
1
?
C:
[5-267]
----
K
V
L
T
I
A
G
S
D
T
S
A
G
A
G
M
Q
A
D
L
K
T
F
Q
E
L
D
T
Y
G
M
V
A
L
T
A
I
V
T
M
D
--
K
D
--
T
W
S
H
D
V
T
P
L
P
M
D
V
F
E
K
Q
L
E
T
-
A
L
S
I
G
P
D
A
I
K
T
G
M
L
G
T
E
E
I
I
K
R
A
G
E
V
Y
E
A
S
N
A
Q
Y
F
V
V
D
P
V
M
V
C
K
G
-----
N
P
G
N
T
E
A
M
I
K
Y
L
L
P
K
A
T
V
V
T
P
N
L
F
E
A
G
Q
L
S
-
G
L
G
K
L
N
-
S
I
E
D
M
K
K
A
A
T
I
I
F
D
K
G
A
Q
H
V
I
I
K
G
G
K
A
L
D
Q
D
-
K
-
S
Y
D
L
Y
Y
D
G
Q
T
F
Y
Q
L
T
T
D
M
F
Q
--
Y
N
H
G
A
G
C
T
F
A
A
A
T
T
A
Y
L
A
N
G
K
S
P
K
E
A
V
I
S
A
K
A
F
V
A
S
A
I
K
N
G
--
W
K
M
N
D
F
V
G
P
V
D
H
G
A
Y
N
R
I
E
---