@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 : Lmo0190: (2016-03-13 )
MKISITAPAKINLSLDALYKREDGYHEVEMVMTTIDLADRLYLERLDEDKIVLDVKAHFIPEDRRNLIYQAALLLKKRFDVKMGVRITIDKHIPVSAGLAGGSSDAAAALKGLNVIWELGLSIEELAEISSEIGSDIAFCVYGGTALATGRGEKISALPNIPGCWIVLAKPSISVSTPTIYKELQVDNVEHPDTQKMIESIKNGDLDGIFAATGNVLESVTLEKNPQVKRIKDRMLAFGAEAALMSGSGPTVFALIKQYSRAKRVYNGLRGFCEEVYMVRPWSEGENDTNINY
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.......--270...--......280.......290.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
K
I
S
I
TA
P
---
A
K
I
N
L
S
L
D
A
L
YKREDG
Y
H
E
V
E
M
V
M
T
---
T
I
D
L
A
D
R
L
Y
L
E
RLDED
K
I
-
V
L
D
V
K
A
-H---F-I-
P
E
D
-
R
R
N
L
I
Y
Q
A
A
L
L
L
K
K
------RFD------
V
K
M
G
V
R
I
T
I
DKHIPVSAGLAGGS
S
D
A
A
A
A
L
K
G
L
N
V
I
W
E
LGL
S
I
E
E
L
A
E
I
S
S
E
IGS
D
I
---------
A
F
C
V
YG
G
T
A
LATGRGE-KIS--ALPNIP
G
C
W
I
V
L
AKPSISVSTPT
I
Y
K
E
L
------Q--VDNVE-H-----P----
D
--
T
Q
K
M
I
E
S
I
KNGDL
D
G
I
F
A
ATG
N
--
V
L
E
S
V
TLEKNP
Q
V
K
R
I
K
D
R
M
L
A
FGA
E
A
ALMSGSG
P
T
V
F
A
L
I
K
Q
Y
S
R
A
K
R
V
Y
N
G
L
--
R
--
G
F
C
--
E
E
V
Y
M
VRPWSEGENDTNINY
1
PsiBlast_PDB
95.88
33%
-95
- C1 -
4DXL
3
?
A:
[18-301]
--
V
T
V
R
A
P
---
G
K
V
N
L
Y
L
A
V
G
D
L
R
D
D
G
Y
H
E
L
T
T
V
F
H
---
A
V
S
L
A
D
D
V
T
V
R
--
D
A
D
V
L
-
S
I
D
V
V
G
-
Q
GEG
T
-
V
-
P
T
D
-
E
R
N
L
A
W
Q
A
A
E
L
F
A
D
------
H
V
G
------
R
A
P
D
V
S
I
F
I
N
K
D
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
E
L
W
H
A
G
V
P
R
R
D
L
H
H
L
A
A
Q
L
G
S
D
V
---------
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
-
Q
L
A
--
T
V
L
A
R
N
V
F
H
W
V
F
A
F
A
D
G
G
L
A
T
P
Q
V
F
K
E
I
------
D
R
L
R
E
N
G
D
-
P
-----
P
R
L
A
-
E
--
A
D
E
L
L
G
A
L
A
A
G
D
A
R
R
L
A
P
L
L
G
N
--
E
L
Q
A
A
A
V
S
L
N
P
E
L
R
R
T
L
R
A
G
E
S
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
D
D
A
V
Q
V
S
A
E
L
A
G
A
--
G
V
C
--
R
T
V
R
V
---------------
3
PsiBlast_PDB
95.33
33%
-97
- C1 -
4EMD
2
?
A:
[18-301]
--
V
T
V
R
A
P
---
G
K
V
N
L
Y
L
A
V
G
D
L
R
D
D
G
Y
H
E
L
T
T
V
F
H
---
A
V
S
L
A
D
D
V
T
V
R
--
D
A
D
V
L
-
S
I
D
V
V
G
-
Q
GEG
T
-
V
-
P
T
D
-
E
R
N
L
A
W
Q
A
A
E
L
F
A
D
------
H
V
G
------
R
A
P
D
V
S
I
F
I
N
K
D
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
E
L
W
H
A
G
V
P
R
R
D
L
H
H
L
A
A
Q
L
G
S
D
V
---------
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
-
Q
L
A
--
T
V
L
A
R
N
V
F
H
W
V
F
A
F
A
D
G
G
L
A
T
P
Q
V
F
K
E
I
------
D
R
L
R
E
N
G
D
-
P
-----
P
R
L
A
-
E
--
A
D
E
L
L
G
A
L
A
A
G
D
A
R
R
L
A
P
L
L
G
N
--
E
L
Q
A
A
A
V
S
L
N
P
E
L
R
R
T
L
R
A
G
E
S
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
D
D
A
V
Q
V
S
A
E
L
A
G
A
--
G
V
C
--
R
T
V
R
V
---------------
2
PsiBlast_PDB
95.07
33%
-97
- C1 -
4ED4
1
?
A:
[18-301]
--
V
T
V
R
A
P
---
G
K
V
N
L
Y
L
A
V
G
D
L
----
Y
H
E
L
T
T
V
F
H
---
A
V
S
L
A
D
D
V
T
V
R
--
D
A
D
V
L
-
S
I
D
V
V
G
-
Q
GEG
T
-
V
-
P
T
D
-
E
R
N
L
A
W
Q
A
A
E
L
F
A
D
------
H
V
G
------
R
A
P
D
V
S
I
F
I
N
K
D
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
E
L
W
H
A
G
V
P
R
R
D
L
H
H
L
A
A
Q
L
G
S
D
V
---------
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
-
Q
L
A
--
T
V
L
A
R
N
V
F
H
W
V
F
A
F
A
D
G
G
L
A
T
P
Q
V
F
K
E
I
------
D
R
L
R
E
N
G
D
-
P
-----
P
R
L
A
-
E
--
A
D
E
L
L
G
A
L
A
A
G
D
A
R
R
L
A
P
L
L
G
N
--
E
L
Q
A
A
A
V
S
L
N
P
E
L
R
R
T
L
R
A
G
E
S
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
D
D
A
V
Q
V
S
A
E
L
A
G
A
--
G
V
C
--
R
T
V
R
V
---------------
28
HHSearch
91.08
33%
-79
- C1 -
3PYF
1
ISPE_MYCTU
A:
[5-298]
-
S
V
T
V
R
V
P
---
G
K
V
N
L
Y
L
A
V
G
D
R
R
E
D
G
Y
H
E
L
T
T
V
F
H
---
A
V
S
L
V
D
E
V
T
V
R
N
A
D
V
L
S
L
-
E
L
V
G
E
G
A
D
---
Q
-
L
-
P
T
D
-
E
R
N
L
A
W
Q
A
A
E
L
M
A
E
------
H
V
G
------
R
A
P
D
V
S
I
M
I
D
K
S
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
S
L
W
E
L
N
V
P
R
R
D
L
R
M
L
A
A
R
L
G
S
D
V
---------
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
-
E
L
A
--
T
V
L
S
R
N
T
F
H
W
V
L
A
F
A
D
S
G
L
L
T
S
A
V
Y
N
E
L
------
D
--
R
L
R
E
V
-
G
D
P
P
R
L
G
----
E
--
P
G
P
V
L
A
A
L
A
A
G
D
P
D
Q
L
A
P
L
L
G
N
--
E
M
Q
A
A
A
V
S
L
D
P
A
L
A
R
A
L
R
A
G
V
E
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
S
S
A
I
D
V
G
A
Q
L
--
S
--
G
A
G
VC
R
T
V
R
V
A
T
G
P
V
P
G
A
R
------
4
PsiBlast_PDB
90.14
33%
-88
- C1 -
3PYD
1
ISPE_MYCTU
A:
[5-287]
-
S
V
T
V
R
V
P
---
G
K
V
N
L
Y
L
A
V
G
D
R
R
E
D
G
Y
H
E
L
T
T
V
F
H
---
A
V
S
L
V
D
E
V
T
V
R
N
A
D
V
L
S
L
E
L
V
G
E
G
A
-
D
---
Q
-
L
-
P
T
D
-
E
R
N
L
A
W
Q
A
A
E
L
M
A
E
------
H
V
G
------
R
A
P
D
V
S
I
M
I
D
K
S
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
S
L
W
E
L
N
V
P
R
R
D
L
R
M
L
A
A
R
L
G
S
D
V
---------
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
-
E
L
A
--
T
V
L
S
R
N
T
F
H
W
V
L
A
F
A
D
S
G
L
L
T
S
A
V
Y
N
E
L
D
-----
R
--
L
R
E
V
G
-
D
-----
P
P
R
L
G
E
--
P
G
P
V
L
A
A
L
A
A
G
D
P
D
Q
L
A
P
L
L
G
N
--
E
M
Q
A
A
A
V
S
L
D
P
A
L
A
R
A
L
R
A
G
V
E
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
S
S
A
I
D
V
G
A
Q
L
--
S
G
A
G
V
C
--
R
T
V
-----------------
5
PsiBlast_PDB
89.89
33%
-87
- C1 -
3PYE
1
ISPE_MYCTU
A:
[5-287]
-
S
V
T
V
R
V
P
---
G
K
V
N
L
Y
L
A
V
G
D
R
R
E
D
G
Y
H
E
L
T
T
V
F
H
---
A
V
S
L
V
D
E
V
T
V
R
N
A
D
V
L
S
L
E
L
V
G
E
G
A
-
D
---
Q
-
L
-
P
T
D
-
E
R
N
L
A
W
Q
A
A
E
L
M
A
E
------
H
V
G
------
R
A
P
D
V
S
I
M
I
D
K
S
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
S
L
W
E
L
N
V
P
R
R
D
L
R
M
L
A
A
R
L
G
S
D
V
---------
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
-
E
L
A
--
T
V
L
S
R
N
T
F
H
W
V
L
A
F
A
D
S
G
L
L
T
S
A
V
Y
N
E
L
D
-----
R
--
L
R
E
V
G
-
D
-----
P
P
R
L
G
E
--
P
G
P
V
L
A
A
L
A
A
G
D
P
D
Q
L
A
P
L
L
G
N
--
E
M
Q
A
A
A
V
S
L
D
P
A
L
A
R
A
L
R
A
G
V
E
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
S
S
A
I
D
V
G
A
Q
L
--
S
G
A
G
V
C
--
R
T
V
-----------------
7
PsiBlast_PDB
88.96
33%
-87
- C1 -
3PYG
1
ISPE_MYCTU
A:
[5-287]
-
S
V
T
V
R
V
P
---
G
K
V
N
L
Y
L
A
V
G
D
R
R
E
D
G
Y
H
E
L
T
T
V
F
H
---
A
V
S
L
V
D
E
V
T
V
R
N
A
D
V
L
S
L
E
L
V
G
E
G
A
-
D
---
Q
-
L
-
P
T
D
-
E
R
N
L
A
W
Q
A
A
E
L
M
A
E
------
H
V
G
------
R
A
P
D
V
S
I
M
I
D
K
S
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
S
L
W
E
L
N
V
P
R
R
D
L
R
M
L
A
A
R
L
G
S
D
V
---------
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
-
E
L
A
--
T
V
L
S
R
N
T
F
H
W
V
L
A
F
A
D
S
G
L
L
T
S
A
V
Y
N
E
L
D
-----
R
--
L
R
E
V
G
-
D
-----
P
P
R
L
G
E
--
P
G
P
V
L
A
A
L
A
A
G
D
P
D
Q
L
A
P
L
L
G
N
--
E
M
Q
A
A
A
V
S
L
D
P
A
L
A
R
A
L
R
A
G
V
E
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
S
S
A
I
D
V
G
A
Q
L
--
S
G
A
G
V
C
--
R
T
V
-----------------
6
PsiBlast_PDB
88.79
33%
-85
- C1 -
3PYF
1
ISPE_MYCTU
A:
[5-287]
-
S
V
T
V
R
V
P
---
G
K
V
N
L
Y
L
A
V
G
D
R
R
E
D
G
Y
H
E
L
T
T
V
F
H
---
A
V
S
L
V
D
E
V
T
V
R
N
A
D
V
L
S
L
E
L
V
G
E
G
A
-
D
---
Q
-
L
-
P
T
D
-
E
R
N
L
A
W
Q
A
A
E
L
M
A
E
------
H
V
G
------
R
A
P
D
V
S
I
M
I
D
K
S
I
P
V
A
G
G
M
A
G
G
S
A
D
A
A
A
V
L
V
A
M
N
S
L
W
E
L
N
V
P
R
R
D
L
R
M
L
A
A
R
L
G
S
D
V
---------
P
F
A
L
H
G
G
T
A
L
G
T
G
R
G
E
-
E
L
A
--
T
V
L
S
R
N
T
F
H
W
V
L
A
F
A
D
S
G
L
L
T
S
A
V
Y
N
E
L
D
-----
R
--
L
R
E
V
G
-
D
-----
P
P
R
L
G
E
--
P
G
P
V
L
A
A
L
A
A
G
D
P
D
Q
L
A
P
L
L
G
N
--
E
M
Q
A
A
A
V
S
L
D
P
A
L
A
R
A
L
R
A
G
V
E
A
G
A
L
A
G
I
V
S
G
S
G
P
T
C
A
F
L
C
T
S
A
S
S
A
I
D
V
G
A
Q
L
--
S
G
A
G
V
C
--
R
T
V
-----------------
30
HHSearch
82.56
32%
-95
- C1 -
1UEK
-
ISPE_THET8
A:
[1-268]
--
M
E
R
L
A
P
---
A
K
V
N
L
G
L
S
V
R
F
R
R
E
D
G
Y
H
E
L
H
T
L
F
A
---
P
F
S
L
A
D
R
L
V
V
E
P
V
S
S
G
-
L
-
H
F
---------
Q
-
G
-
P
Y
G
-
R
E
N
L
A
Y
R
A
A
S
L
Y
L
E
------
A
A
G
------
Q
P
G
G
V
R
I
L
L
E
K
R
I
P
E
G
A
G
L
G
G
G
S
S
D
A
A
Q
V
L
L
A
L
Q
A
L
Y
P
A
---
E
V
D
L
F
A
L
A
R
T
L
G
A
D
V
---------
P
F
F
L
L
G
R
G
A
E
A
R
G
V
G
E
-
R
L
K
--
P
L
A
L
-
P
P
V
P
A
V
V
F
F
P
G
L
R
V
P
T
P
L
V
Y
R
A
V
------
R
--
P
E
D
F
G
P
D
-----
L
----
P
--
V
E
A
I
L
E
A
L
A
R
G
E
E
P
P
Y
W
N
S
L
E
G
------
P
A
F
R
L
F
P
E
L
K
E
V
R
G
R
M
R
A
L
G
L
R
G
V
L
M
S
G
S
G
S
A
F
F
G
L
A
E
G
P
D
H
A
R
R
A
A
E
A
L
--
R
--
A
W
---
G
R
A
W
A
G
T
L
G
G
G
---------
9
PsiBlast_PDB
82.25
31%
-89
- C1 -
2WW4
2
ISPE_ECOLI
A:
[1-257]
M
R
T
Q
W
P
S
P
---
A
K
L
N
L
F
L
Y
I
T
G
Q
R
A
D
G
Y
H
T
L
Q
T
L
F
Q
---
F
L
D
Y
G
D
T
I
S
I
E
L
R
D
D
G
D
I
-
R
L
L
T
P
V
-
E
---
G
-
V
--
E
H
-
E
D
N
L
I
V
R
A
A
R
L
L
M
K
T
A
A
D
S
G
R
L
P
------
T
G
S
G
A
N
I
S
I
D
K
R
L
P
M
G
G
G
L
G
G
G
S
S
N
A
A
T
V
L
V
A
L
N
H
L
W
Q
C
G
L
S
M
D
E
L
A
E
M
G
L
T
L
G
A
D
V
---------
P
V
F
V
R
G
H
A
A
F
A
E
G
V
G
E
-
I
L
T
--
P
V
-
D
P
P
E
K
W
Y
L
V
A
H
P
G
V
S
I
P
T
P
V
I
F
K
D
P
------
E
-----
L
P
-
R
-----
N
----
T
--
P
K
R
S
I
E
T
L
L
K
C
E
F
-------
S
N
--
D
C
E
V
I
A
R
K
R
F
R
E
V
D
A
V
L
S
W
L
L
E
Y
A
--
P
S
R
L
T
G
T
G
A
C
V
F
A
E
F
D
T
E
S
E
A
R
Q
V
----------------------------------
31
HHSearch
81.04
33%
-84
- C1 -
2WW4
2
ISPE_ECOLI
A:
[1-264]
M
R
T
Q
W
P
S
P
---
A
K
L
N
L
F
L
Y
I
T
G
Q
R
A
D
G
Y
H
---
T
L
Q
T
L
F
Q
F
L
D
Y
G
D
T
I
S
I
E
L
R
D
D
G
D
I
-
R
L
L
T
P
V
-
E
---
G
-
V
--
E
H
-
E
D
N
L
I
V
R
A
A
R
L
L
M
K
------
T
A
A
D
S
GRLP
T
G
S
G
A
N
I
S
I
D
K
R
L
P
M
G
G
G
L
G
G
G
S
S
N
A
A
T
V
L
V
A
L
N
H
L
W
Q
C
G
L
S
M
D
E
L
A
E
M
G
L
T
L
G
A
D
V
---------
P
V
F
V
R
G
H
A
A
F
A
E
G
V
G
E
-
I
L
T
--
P
V
D
P
-
P
E
K
W
Y
L
V
A
H
P
G
V
S
I
P
T
P
V
I
F
K
D
P
------
E
--
L
P
R
N
T
-
P
K----
R
----
S
--
I
E
T
L
L
K
C
E
F
S
N
D
C
E
V
I
A
R
-------------
K
R
F
R
E
V
D
A
V
L
S
W
L
L
E
-
Y
-
A
P
S
R
L
T
G
T
G
A
C
V
F
A
E
F
D
T
E
S
E
A
R
Q
V
L
E
Q
A
--
P
--
E
W
-----------------------
21
PsiBlast_CBE
80.78
31%
-89
- C1 -
2WW4
3
ISPE_ECOLI
B:
[1-257]
M
R
T
Q
W
P
S
P
---
A
K
L
N
L
F
L
Y
I
T
G
Q
R
A
D
G
Y
H
T
L
Q
T
L
F
Q
---
F
L
D
Y
G
D
T
I
S
I
E
L
R
D
D
G
D
I
-
R
L
L
T
P
V
-
E
---
G
-
V
--
E
H
-
E
D
N
L
I
V
R
A
A
R
L
L
M
K
TAADSG
R
L
P
------
T
G
S
G
A
N
I
S
I
D
K
R
L
P
M
G
G
G
L
G
G
G
S
S
N
A
A
T
V
L
V
A
L
N
H
L
W
Q
C
G
L
S
M
D
E
L
A
E
M
G
L
T
L
G
A
D
V
---------
P
V
F
V
R
G
H
A
A
F
A
E
G
V
G
E
-
I
L
T
--
P
V
-
D
P
P
E
K
W
Y
L
V
A
H
P
G
V
S
I
P
T
P
V
I
F
K
D
P
------
E
-----
L
P
-
R
-----
N
----
T
--
P
K
R
S
I
E
T
L
L
K
C
E
F
-------
S
N
--
D
C
E
V
I
A
R
K
R
F
R
E
V
D
A
V
L
S
W
L
L
E
Y
A
--
P
S
R
L
T
G
T
G
A
C
V
F
A
E
F
D
T
E
S
E
A
R
Q
V
----------------------------------
52
Fugue
79.24
33%
-83
- C1 -
1UEK
-
ISPE_THET8
A:
[1-268]
--
M
E
R
L
A
P
---
A
K
V
N
L
G
L
S
V
R
F
R
R
E
D
G
Y
H
E
L
H
T
L
F
A
---
P
F
S
L
A
D
R
L
V
V
E
P
V
S
S
G
L
H
-
F
Q
G
------------
P
Y
G
-
R
E
N
L
A
Y
R
A
A
S
L
Y
L
E
------
A
A
G
------
Q
P
G
G
V
R
I
L
L
E
K
R
I
P
E
G
A
G
L
G
G
G
S
S
D
A
A
Q
V
L
L
A
L
Q
A
L
Y
P
A
E
V
---
D
L
F
A
L
A
R
T
L
G
A
D
V
---------
P
F
F
L
L
G
R
G
A
E
A
R
G
V
G
E
-
R
L
K
--
P
L
A
-
L
P
P
V
P
A
V
V
F
F
P
G
L
R
V
P
T
P
L
V
Y
R
A
V
-----------
R
P
E
-
D
-----
F
----
G
--
P
D
L
P
V
E
A
I
L
E
A
L
A
R
G
E
E
P
P
Y
W
N
--
S
L
E
G
P
A
F
R
L
F
P
E
L
K
E
V
R
G
R
M
R
A
L
G
L
R
G
V
L
M
S
G
S
G
S
A
F
F
G
L
A
E
G
P
D
H
A
R
R
A
A
E
A
L
--
R
--
A
----
W
G
R
A
W
A
G
T
L
G
G
G
--------
10
PsiBlast_PDB
78.25
31%
-88
- C1 -
1OJ4
3
ISPE_ECOL6
A:
[7-257]
------
S
P
---
A
K
L
N
L
F
L
Y
I
T
G
Q
R
A
D
G
Y
H
T
L
Q
T
L
F
Q
---
F
L
D
Y
G
D
T
I
S
I
E
L
R
D
D
G
D
I
-
R
L
L
T
P
V
-
E
---
G
-
V
--
E
H
-
E
D
N
L
I
V
R
A
A
R
L
L
M
K
T
A
A
D
S
G
R
L
P
------
T
G
S
G
A
N
I
S
I
D
K
R
L
P
M
G
G
G
L
G
G
G
S
S
N
A
A
T
V
L
V
A
L
N
H
L
W
Q
C
G
L
S
M
D
E
L
A
E
M
G
L
T
L
G
A
D
V
---------
P
V
F
V
R
G
H
A
A
F
A
E
G
V
G
E
-
I
L
T
--
P
V
-
D
P
P
E
K
W
Y
L
V
A
H
P
G
V
S
I
P
T
P
V
I
F
K
D
P
------
E
--
L
P
R
N
T
---------------
P
K
R
S
I
E
T
L
L
K
C
E
F
-------
S
N
--
D
C
E
V
I
A
R
K
R
F
R
E
V
D
A
V
L
S
W
L
L
E
Y
A
--
P
S
R
L
T
G
T
G
A
C
V
F
A
E
F
D
T
E
S
E
A
R
Q
V
----------------------------------
8
PsiBlast_PDB
77.22
35%
-96
- C1 -
1UEK
-
ISPE_THET8
A:
[5-240]
------
A
P
---
A
K
V
N
L
G
L
S
V
R
F
R
R
E
D
G
Y
H
E
L
H
T
L
F
A
---
P
F
S
L
A
D
R
L
V
V
E
P
V
S
S
G
--------
L
-
H
---
F
-
Q
G
P
Y
G
-
R
E
N
L
A
Y
R
A
A
S
L
Y
L
E
------
A
A
G
------
Q
P
G
G
V
R
I
L
L
E
K
R
I
P
E
G
A
G
L
G
G
G
S
S
D
A
A
Q
V
L
L
A
L
Q
A
L
Y
P
A
E
V
D
L
F
A
L
A
R
T
---
L
G
A
D
V
---------
P
F
F
L
L
G
R
G
A
E
A
R
G
V
G
E
-
R
L
K
P
L
A
L
P
P
V
P
---
A
V
V
F
F
P
G
L
R
V
P
T
P
L
V
Y
R
A
V
------
R
--
P
E
D
F
--
G
-----
P
----
D
LP
V
E
A
I
L
E
A
L
A
R
G
E
E
P
P
Y
W
----
N
--
S
L
E
G
P
A
F
R
L
F
P
E
L
K
E
V
R
G
R
M
R
A
L
G
L
R
G
V
L
M
S
G
S
G
S
A
F
F
G
L
--------------------------------------------
29
HHSearch
73.77
28%
-85
- C1 -
2V8P
5
ISPE_AQUAE
A:
[3-270]
H
M
I
K
V
L
S
P
---
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
F
Y
D
E
I
Y
I
R
E
G
V
---
L
-
R
V
E
T
N
--
I
---
G
-
I
-
P
-
Q
-
E
E
N
L
V
Y
K
G
L
R
E
F
E
R
------
I
T
G
------
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
---------
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
-
V
L
E
--
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
------
R
--
E
E
H
F
V
-
T
P
----
E
----
Y
--
A
E
E
K
I
Q
R
I
I
S
G
E
V
E
E
I
E
N
V
L
G
D
--
I
A
R
----
E
L
Y
P
E
I
N
E
V
Y
R
F
V
E
Y
L
G
-
F
K
P
F
V
S
G
S
G
S
T
V
Y
F
F
G
G
A
S
E
E
L
---
K
K
A
A
--
K
--
M
R
G
--
W
K
V
V
E
L
E
-------------
16
PsiBlast_PDB
71.62
31%
-82
- C1 -
2VF3
6
ISPE_AQUAE
A:
[5-246]
--
I
K
V
L
S
P
---
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
F
Y
D
E
I
Y
I
R
-----
E
G
-
V
L
R
V
E
T
-
N
---
I
G
I
-
P
Q
E
-
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
------
I
T
G
------
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
---------
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
-
V
L
E
--
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
------
R
--
E
E
H
F
V
-
T
-----
P
----
E
Y
-
A
E
E
K
I
Q
R
I
I
S
G
E
V
E
E
I
----
E
N
--
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
----------------------------------------------
53
Fugue
71.43
23%
-82
- C1 -
1H72
3
KHSE_METJA
C:
[1-296]
M
K
V
R
V
K
A
P
CTS
A
N
L
G
V
G
F
D
------------
V
F
G
L
C
---
L
K
E
P
Y
D
V
I
E
V
E
A
I
D
D
K
E
I
-
I
I
E
V
D
D
-
K
---
N
-
I
-
P
T
D
P
D
K
N
V
A
G
I
V
A
K
K
M
I
D
------
D
F
N
------
I
G
K
G
V
K
I
T
I
K
K
G
V
K
A
G
S
G
L
G
S
S
A
A
S
S
A
G
T
A
Y
A
I
N
E
L
F
K
L
N
L
D
K
L
K
L
V
D
Y
A
S
Y
G
E
L
A
S
SGAKHADNV
A
P
A
I
F
G
G
F
T
M
V
T
N
Y
E
P
L
E
V
L
--
H
I
P
I
D
F
K
L
D
I
L
I
A
I
P
N
I
S
I
N
T
K
E
A
R
E
I
L
PKAVGL
K
--
D
L
V
N
N
-
V
-----
G
----
K
--
A
C
G
M
V
Y
A
L
Y
N
K
D
K
S
L
F
G
R
Y
M
M
S
DK
V
I
E
P
V
R
G
K
L
I
P
N
Y
F
K
I
K
E
E
V
K
D
-
K
V
Y
G
I
T
I
S
G
S
G
P
S
I
I
A
F
P
K
-
E
E
F
I
D
E
V
E
N
I
L
--
R
--
D
Y
Y
--
E
N
T
I
R
T
E
V
-
G
K
G
V
E
V
V
----
24
PsiBlast_CBE
71.34
31%
-81
- C1 -
2V34
6
ISPE_AQUAE
B:
[5-246]
--
I
K
V
L
S
P
---
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
F
Y
D
E
I
Y
I
R
-----
E
G
-
V
L
R
V
E
T
-
N
---
I
G
I
-
P
Q
E
-
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
------
I
T
G
------
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
---------
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
-
V
L
E
--
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
------
R
--
E
E
H
F
V
-
T
-----
P
----
E
Y
-
A
E
E
K
I
Q
R
I
I
S
G
E
V
E
E
I
----
E
N
--
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
----------------------------------------------
15
PsiBlast_PDB
71.12
31%
-80
- C1 -
2V8P
5
ISPE_AQUAE
A:
[5-246]
--
I
K
V
L
S
P
---
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
F
Y
D
E
I
Y
I
R
-----
E
G
-
V
L
R
V
E
T
-
N
---
I
G
I
-
P
Q
E
-
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
------
I
T
G
------
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
---------
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
-
V
L
E
--
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
------
R
--
E
E
H
F
V
-
T
-----
P
----
E
Y
-
A
E
E
K
I
Q
R
I
I
S
G
E
V
E
E
I
----
E
N
--
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
----------------------------------------------
14
PsiBlast_PDB
71.01
31%
-83
- C1 -
2V34
7
ISPE_AQUAE
A:
[5-246]
--
I
K
V
L
S
P
---
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
F
Y
D
E
I
Y
I
R
-----
E
G
-
V
L
R
V
E
T
-
N
---
I
G
I
-
P
Q
E
-
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
------
I
T
G
------
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
---------
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
-
V
L
E
--
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
------
R
--
E
E
H
F
V
-
T
-----
P
----
E
Y
-
A
E
E
K
I
Q
R
I
I
S
G
E
V
E
E
I
----
E
N
--
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
----------------------------------------------
13
PsiBlast_PDB
70.92
31%
-81
- C1 -
2V2Z
5
ISPE_AQUAE
A:
[5-246]
--
I
K
V
L
S
P
---
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
F
Y
D
E
I
Y
I
R
-----
E
G
-
V
L
R
V
E
T
-
N
---
I
G
I
-
P
Q
E
-
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
------
I
T
G
------
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
---------
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
-
V
L
E
--
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
------
R
--
E
E
H
F
V
-
T
-----
P
----
E
Y
-
A
E
E
K
I
Q
R
I
I
S
G
E
V
E
E
I
----
E
N
--
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
----------------------------------------------
25
PsiBlast_CBE
70.90
31%
-82
- C1 -
2V2Z
5
ISPE_AQUAE
B:
[5-246]
--
I
K
V
L
S
P
---
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
F
Y
D
E
I
Y
I
R
-----
E
G
-
V
L
R
V
E
T
-
N
---
I
G
I
-
P
Q
E
-
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
------
I
T
G
------
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
---------
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
-
V
L
E
--
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
------
R
--
E
E
H
F
V
-
T
-----
P
----
E
Y
-
A
E
E
K
I
Q
R
I
I
S
G
E
V
E
E
I
----
E
N
--
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
----------------------------------------------
27
PsiBlast_CBE
70.38
31%
-81
- C1 -
2V2Q
8
ISPE_AQUAE
B:
[5-246]
--
I
K
V
L
S
P
---
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
F
Y
D
E
I
Y
I
R
-----
E
G
-
V
L
R
V
E
T
-
N
---
I
G
I
-
P
Q
E
-
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
------
I
T
G
------
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
---------
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
-
V
L
E
--
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
------
R
--
E
E
H
F
V
-
T
-----
P
----
E
Y
-
A
E
E
K
I
Q
R
I
I
S
G
E
V
E
E
I
----
E
N
--
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
----------------------------------------------
11
PsiBlast_PDB
70.25
31%
-83
- C1 -
2V2Q
8
ISPE_AQUAE
A:
[5-246]
--
I
K
V
L
S
P
---
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
F
Y
D
E
I
Y
I
R
-----
E
G
-
V
L
R
V
E
T
-
N
---
I
G
I
-
P
Q
E
-
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
------
I
T
G
------
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
---------
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
-
V
L
E
--
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
------
R
--
E
E
H
F
V
-
T
-----
P
----
E
Y
-
A
E
E
K
I
Q
R
I
I
S
G
E
V
E
E
I
----
E
N
--
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
----------------------------------------------
26
PsiBlast_CBE
70.04
31%
-79
- C1 -
2V2V
9
ISPE_AQUAE
B:
[5-246]
--
I
K
V
L
S
P
---
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
F
Y
D
E
I
Y
I
R
-----
E
G
-
V
L
R
V
E
T
-
N
---
I
G
I
-
P
Q
E
-
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
------
I
T
G
------
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
---------
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
-
V
L
E
--
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
------
R
--
E
E
H
F
V
-
T
-----
P
----
E
Y-
A
E
E
K
I
Q
R
I
I
S
G
E
V
E
E
I
----
E
N
--
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
----------------------------------------------
22
PsiBlast_CBE
69.99
31%
-80
- C1 -
2VF3
6
ISPE_AQUAE
B:
[5-246]
--
I
K
V
L
S
P
---
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
F
Y
D
E
I
Y
I
R
-----
E
G
-
V
L
R
V
E
T
-
N
---
I
G
I
-
P
Q
E
-
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
------
I
T
G
------
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
---------
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
-
V
L
E
--
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
------
R
--
E
E
H
F
V
-
T
-----
P
----
E
Y
-
A
E
E
K
I
Q
R
I
I
S
G
E
V
E
E
I
----
E
N
--
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
----------------------------------------------
23
PsiBlast_CBE
69.60
31%
-82
- C1 -
2V8P
5
ISPE_AQUAE
B:
[5-246]
--
I
K
V
L
S
P
---
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
F
Y
D
E
I
Y
I
R
-----
E
G
-
V
L
R
V
E
T
-
N
---
I
G
I
-
P
Q
E
-
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
------
I
T
G
------
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
---------
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
-
V
L
E
--
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
------
R
--
E
E
H
F
V
-
T
-----
P
----
E
Y-
A
E
E
K
I
Q
R
I
I
S
G
E
V
E
E
I
----
E
N
--
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
----------------------------------------------
12
PsiBlast_PDB
69.56
31%
-81
- C1 -
2V2V
9
ISPE_AQUAE
A:
[5-246]
--
I
K
V
L
S
P
---
A
K
I
N
L
G
L
W
V
L
G
R
L
P
S
G
Y
H
E
I
L
T
L
Y
Q
---
E
I
P
F
Y
D
E
I
Y
I
R
-----
E
G
-
V
L
R
V
E
T
-
N
---
I
G
I
-
P
Q
E
-
E
-
N
L
V
Y
K
G
L
R
E
F
E
R
------
I
T
G
------
I
E
I
N
Y
S
I
F
I
Q
K
N
I
P
P
G
A
G
L
G
G
G
S
S
N
L
A
V
V
L
K
K
V
N
E
L
L
G
S
P
L
S
E
E
E
L
R
E
L
V
G
S
I
S
A
D
A
---------
P
F
F
L
L
G
K
S
A
I
G
R
G
K
G
E
-
V
L
E
--
P
V
E
T
E
I
S
G
K
I
T
L
V
I
P
Q
V
S
S
S
T
G
R
V
Y
S
S
L
------
R
--
E
E
H
F
V
-
T
-----
P
----
E
Y
-
A
E
E
K
I
Q
R
I
I
S
G
E
V
E
E
I
----
E
N
--
V
L
G
D
I
A
R
E
L
Y
P
E
I
N
E
V
Y
-
R
F
V
E
Y
L
G
F
K
P
F
V
S
G
S
G
S
T
V
Y
----------------------------------------------