@TOME V2.3
(Mar 2018)
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 : B0VR41: (2017-11-30 )
MTLRNDWTREEIQALYEQPFLDLVFKAQQVHREHFTANTIQVSTLLSIKTGKCPEDCKYCSQSAHYDSKLEAEKRIAVEKVISEAKAAKDSGSSRFCMGAAWRNPHERDMPYVLEMVREVKALGMETCMTLGMLNQSQAERLKDAGLDYYNHNLDTSRKYYSHIISTRTFDDRLNTLDYVRQAGMKVCSGGIVGLGESREDRIGLLHELATLPIHPESVPINMLVPIEGTPLADVEKLDVIEWIRTIAVARIIMPHSYIRLSAGRESLSDSDQALAFMAGANSLFSGDKLLTTPNAGEGKDQALFNKLGLTAEKPKPTVSDLSVDAMSA
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.......
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MTLRNDW
T
R
E
---
E
I
Q
A
L
Y
EQ
P
---
F
L
-
D
-
L
V
F
K
A
Q
Q
V
H
R
E
HFTAN
T
I
Q
V
S
T
L
L
S
IKTGKC
P
E
D
C
K
Y
C
S
QSAHYD
S
K
L
E
A
E
K
R
I
A
V
E
K
V
I
S
E
A
K
AAKDSGSS
R
F
C
MGAAWRNPHE-R
D
M
P
Y
V
L
-
E
M
V
R
E
V
K
A
-
L
G
M
E
T
C
M
T
LGML
N
Q
S
Q
A
E
R
L
K
D
AGL
D
Y
YNHNLD
T
S
-
R
K
Y
Y
S
H
I
I
STR
T
-
F
D
DRL
N
T
L
D
Y
V
R
Q
A
G
M
K
VCSGGIVGL-GES
R
E
D
R
I
G
L
L
-----
H
E
L
ATLPIHPESV
P
I
N
M
L
V
PIEGTPLA
D
V
E
K
L
D
V
I
E
W
I
R
T
I
A
V
A
R
I
IMPH
S
Y
I
R
L
SAGRESLSD
S
D
Q
A
L
A
F
M
AG
A
N
S
LF---SGD--------------
K
L
LT----------T--------PNAGEG
K
D
Q
A
L
F
N
KLGLTAEKPKPTVSDLSVDAMSA
32
HHSearch
99.63
63%
-88
- C3 -
-
1R30
4
BIOB_ECOLI
A:
[27-338]
---
R
P
R
W
T
L
S
---
Q
V
T
E
L
F
E
K
P
---
L
L
-
D
-
L
L
F
E
A
Q
Q
V
H
R
Q
H
F
D
P
R
Q
V
Q
V
S
T
L
L
S
I
K
T
G
A
C
P
E
D
C
K
Y
C
P
Q
S
S
R
Y
K
T
G
L
E
A
E
R
L
M
E
V
E
Q
V
L
E
S
A
R
K
A
K
A
A
G
S
T
R
F
C
M
G
A
A
W
K
N
P
H
E
-
R
D
M
P
Y
L
E
-
Q
M
V
Q
G
V
K
A
-
M
G
L
E
A
C
M
T
L
G
T
L
S
E
S
Q
A
Q
R
L
A
N
A
G
L
D
Y
Y
N
H
N
L
D
T
S
-
P
E
F
Y
G
N
I
I
T
T
R
T
-
Y
Q
E
R
L
D
T
L
E
K
V
R
D
A
G
I
K
V
C
S
G
G
I
V
G
L
-
G
E
T
V
K
D
R
A
G
L
L
-----
L
Q
L
A
N
L
P
T
P
P
E
S
V
P
I
N
M
L
V
K
V
K
G
T
P
L
A
D
N
D
D
V
D
A
F
D
F
I
R
T
I
A
V
A
R
I
M
M
P
T
S
Y
V
R
L
S
A
G
R
E
Q
M
N
E
Q
T
Q
A
M
C
F
M
A
G
A
N
S
I
F
---
Y
G
C
--------------
K
L
L
T
----------
T
--------
P
N
P
E
E
D
K
D
L
Q
L
F
R
K
L
G
L
N
P
Q
Q
T
--------------
22
Fugue
99.63
63%
-88
- C3 -
-
1R30
4
BIOB_ECOLI
A:
[27-338]
---
R
P
R
W
T
L
S
---
Q
V
T
E
L
F
E
K
P
---
L
L
-
D
-
L
L
F
E
A
Q
Q
V
H
R
Q
H
F
D
P
R
Q
V
Q
V
S
T
L
L
S
I
K
T
G
A
C
P
E
D
C
K
Y
C
P
Q
S
S
R
Y
K
T
G
L
E
A
E
R
L
M
E
V
E
Q
V
L
E
S
A
R
K
A
K
A
A
G
S
T
R
F
C
M
G
A
A
W
K
N
P
H
E
-
R
D
M
P
Y
L
E
-
Q
M
V
Q
G
V
K
A
-
M
G
L
E
A
C
M
T
L
G
T
L
S
E
S
Q
A
Q
R
L
A
N
A
G
L
D
Y
Y
N
H
N
L
D
T
S
-
P
E
F
Y
G
N
I
I
T
T
R
T
-
Y
Q
E
R
L
D
T
L
E
K
V
R
D
A
G
I
K
V
C
S
G
G
I
V
G
L
-
G
E
T
V
K
D
R
A
G
L
L
-----
L
Q
L
A
N
L
P
T
P
P
E
S
V
P
I
N
M
L
V
K
V
K
G
T
P
L
A
D
N
D
D
V
D
A
F
D
F
I
R
T
I
A
V
A
R
I
M
M
P
T
S
Y
V
R
L
S
A
G
R
E
Q
M
N
E
Q
T
Q
A
M
C
F
M
A
G
A
N
S
I
F
---
Y
G
C
--------------
K
L
L
T
----------
T
--------
P
N
P
E
E
D
K
D
L
Q
L
F
R
K
L
G
L
N
P
Q
Q
T
--------------
33
HHSearch
99.35
63%
-88
- C3 -
-
1R30
3
BIOB_ECOLI
B:
[26-338]
--
H
R
P
R
W
T
L
S
---
Q
V
T
E
L
F
E
K
P
---
L
L
-
D
-
L
L
F
E
A
Q
Q
V
H
R
Q
H
F
D
P
R
Q
V
Q
V
S
T
L
L
S
I
K
T
G
A
C
P
E
D
C
K
Y
C
P
Q
S
S
R
Y
K
T
G
L
E
A
E
R
L
M
E
V
E
Q
V
L
E
S
A
R
K
A
K
A
A
G
S
T
R
F
C
M
G
A
A
W
K
N
P
H
E
-
R
D
M
P
Y
L
E
-
Q
M
V
Q
G
V
K
A
-
M
G
L
E
A
C
M
T
L
G
T
L
S
E
S
Q
A
Q
R
L
A
N
A
G
L
D
Y
Y
N
H
N
L
D
T
S
-
P
E
F
Y
G
N
I
I
T
T
R
T
-
Y
Q
E
R
L
D
T
L
E
K
V
R
D
A
G
I
K
V
C
S
G
G
I
V
G
L
-
G
E
T
V
K
D
R
A
G
L
L
-----
L
Q
L
A
N
L
P
T
P
P
E
S
V
P
I
N
M
L
V
K
V
K
G
T
P
L
A
D
N
D
D
V
D
A
F
D
F
I
R
T
I
A
V
A
R
I
M
M
P
T
S
Y
V
R
L
S
A
G
R
E
Q
M
N
E
Q
T
Q
A
M
C
F
M
A
G
A
N
S
I
F
---
Y
G
C
--------------
K
L
L
T
----------
T
--------
P
N
P
E
E
D
K
D
L
Q
L
F
R
K
L
G
L
N
P
Q
Q
T
--------------
1
PsiBlast_PDB
99.27
63%
-88
- C3 -
-
1R30
4
BIOB_ECOLI
A:
[27-337]
---
R
P
R
W
T
L
S
---
Q
V
T
E
L
F
E
K
P
---
L
L
-
D
-
L
L
F
E
A
Q
Q
V
H
R
Q
H
F
D
P
R
Q
V
Q
V
S
T
L
L
S
I
K
T
G
A
C
P
E
D
C
K
Y
C
P
Q
S
S
R
Y
K
T
G
L
E
A
E
R
L
M
E
V
E
Q
V
L
E
S
A
R
K
A
K
A
A
G
S
T
R
F
C
M
G
A
A
W
K
N
P
H
E
-
R
D
M
P
Y
L
E
-
Q
M
V
Q
G
V
K
A
-
M
G
L
E
A
C
M
T
L
G
T
L
S
E
S
Q
A
Q
R
L
A
N
A
G
L
D
Y
Y
N
H
N
L
D
T
S
-
P
E
F
Y
G
N
I
I
T
T
R
T
-
Y
Q
E
R
L
D
T
L
E
K
V
R
D
A
G
I
K
V
C
S
G
G
I
V
G
L
-
G
E
T
V
K
D
R
A
G
L
L
-----
L
Q
L
A
N
L
P
T
P
P
E
S
V
P
I
N
M
L
V
K
V
K
G
T
P
L
A
D
N
D
D
V
D
A
F
D
F
I
R
T
I
A
V
A
R
I
M
M
P
T
S
Y
V
R
L
S
A
G
R
E
Q
M
N
E
Q
T
Q
A
M
C
F
M
A
G
A
N
S
I
F
---
Y
G
C
--------------
K
L
L
T
----------
T
--------
P
N
P
E
E
D
K
D
L
Q
L
F
R
K
L
G
L
N
P
Q
Q
---------------
21
PsiBlast_CBE
98.89
63%
-88
- C3 -
-
1R30
3
BIOB_ECOLI
B:
[27-337]
---
R
P
R
W
T
L
S
---
Q
V
T
E
L
F
E
K
P
---
L
L
-
D
-
L
L
F
E
A
Q
Q
V
H
R
Q
H
F
D
P
R
Q
V
Q
V
S
T
L
L
S
I
K
T
G
A
C
P
E
D
C
K
Y
C
P
Q
S
S
R
Y
K
T
G
L
E
A
E
R
L
M
E
V
E
Q
V
L
E
S
A
R
K
A
K
A
A
G
S
T
R
F
C
M
G
A
A
W
K
N
P
H
E
-
R
D
M
P
Y
L
E
-
Q
M
V
Q
G
V
K
A
-
M
G
L
E
A
C
M
T
L
G
T
L
S
E
S
Q
A
Q
R
L
A
N
A
G
L
D
Y
Y
N
H
N
L
D
T
S
-
P
E
F
Y
G
N
I
I
T
T
R
T
-
Y
Q
E
R
L
D
T
L
E
K
V
R
D
A
G
I
K
V
C
S
G
G
I
V
G
L
-
G
E
T
V
K
D
R
A
G
L
L
-----
L
Q
L
A
N
L
P
T
P
P
E
S
V
P
I
N
M
L
V
K
V
K
G
T
P
L
A
D
N
D
D
V
D
A
F
D
F
I
R
T
I
A
V
A
R
I
M
M
P
T
S
Y
V
R
L
S
A
G
R
E
Q
M
N
E
Q
T
Q
A
M
C
F
M
A
G
A
N
S
I
F
---
Y
G
C
--------------
K
L
L
T
----------
T
--------
P
N
P
E
E
D
K
D
L
Q
L
F
R
K
L
G
L
N
P
Q
Q
---------------
36
HHSearch
56.94
22%
21
- C3 -
-
5FF3
9
HYDE_THEMA
A:
[11-336]
--
E
R
R
E
F
T
R
E
---
V
L
K
E
A
L
S
I
N
D
R
G
F
N
-
E
A
L
F
K
L
A
D
E
I
R
R
K
Y
V
-
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
L
R
R
D
N
K
N
--
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
-
G
E
D
P
Y
---
M
P
D
V
I
S
-
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
N
P
V
L
H
R
K
L
R
P
D
T
S
-
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
-----
L
F
L
K
E
H
D
--
F
D
M
V
G
I
G
P
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
M
---
P
N
W
TPSPYRQL------
Y
Q
L
Y
----------
P
GKICVFEK
D
T
A
C
I
P
C
V
M
K
M
I
E
L
L
G
R
K
P
G
R
---------------
34
HHSearch
53.58
22%
27
* C3 *
-
5FEW
7
HYDE_THEMA
A:
[22-349]
---
R
R
E
F
T
R
E
---
V
L
K
E
A
L
S
I
N
D
R
G
F
N
E
A
-
L
F
K
L
A
D
E
I
R
R
K
Y
V
-
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
L
R
R
D
N
K
N
--
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
-
G
E
D
P
Y
Y
--
M
P
D
V
I
S
-
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
N
P
V
L
H
R
K
L
R
P
D
T
S
-
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
-----
L
F
L
K
E
H
D
--
F
D
M
V
G
I
G
P
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
M
---
P
N
W
TPSPYRQLYQLYPG
K
I
S
V
FE--------
K
--------
D
T
A
S
I
P
S
V
M
K
M
I
E
L
L
G
R
K
P
G
R
D
W
G
------------
35
HHSearch
52.25
21%
23
- C3 -
-
3T7V
2
PYLB_METBF
A:
[20-348]
---
G
Y
Q
L
T
D
N
---
D
L
R
T
L
L
S
L
E
S
K
E
G
L
-
E
R
L
Y
S
A
A
R
K
V
R
D
H
Y
F
-
G
N
R
V
F
L
N
C
F
I
Y
F
-
S
T
Y
C
K
N
Q
C
S
F
C
Y
Y
N
C
R
N
E
I
---
N
R
Y
R
L
T
M
E
E
I
K
E
T
C
K
T
L
K
G
A
G
F
H
M
V
D
L
T
M
-
G
E
D
P
Y
Y
Y
E
D
P
N
R
F
V
-
E
L
V
Q
I
V
K
E
E
L
G
L
P
I
M
I
S
P
G
L
M
D
N
A
T
L
L
K
A
R
E
K
G
A
N
F
L
A
L
Y
Q
E
T
Y
D
T
E
L
Y
R
K
L
R
V
G
Q
S
-
F
D
G
R
V
N
A
R
R
F
A
K
Q
Q
G
Y
C
V
E
D
G
I
L
T
G
V
-
G
N
D
I
E
S
T
I
L
S
L
-----
R
G
M
S
T
N
D
--
P
D
M
V
R
V
M
T
F
L
P
Q
E
G
T
P
L
E
G
F
R
D
K
S
N
L
S
E
L
K
I
I
S
V
L
R
L
M
F
P
K
R
L
I
P
A
S
L
D
--
L
E
G
I
D
G
M
V
L
R
L
N
A
G
A
N
I
V
T
SIL
P
P
D
--------------
S
Q
L
E
GVANYDRDLE
E
--------
R
D
R
D
I
K
S
V
V
R
R
L
E
I
M
G
M
K
P
A
R
Q
A
D
F
E
A
V
L
-------
11
PsiBlast_PDB
52.24
23%
8
- C3 -
-
5FF3
8
HYDE_THEMA
A:
[12-291]
---
R
R
E
F
T
R
E
V
L
K
E
A
L
S
I
N
D
R
G
---
F
N
-
E
-
A
L
F
K
L
A
D
E
I
R
R
K
Y
V
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
--
L
R
R
D
N
K
N
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
G
-
E
D
P
Y
----
M
P
D
V
I
S
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
-
N
P
V
L
H
R
K
L
R
P
D
T
S
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
L
F
L
K
E
H
D
F
D
M
V
G
I
G
P
-------
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
M
-------------------------------------------------------------------------------
5
PsiBlast_PDB
52.14
23%
7
- C3 -
-
5FEP
6
HYDE_THEMA
A:
[22-301]
---
R
R
E
F
T
R
E
V
L
K
E
A
L
S
I
N
D
R
G
---
F
N
-
E
-
A
L
F
K
L
A
D
E
I
R
R
K
Y
V
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
--
L
R
R
D
N
K
N
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
G
-
E
D
P
Y
----
M
P
D
V
I
S
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
-
N
P
V
L
H
R
K
L
R
P
D
T
S
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
L
F
L
K
E
H
D
F
D
M
V
G
I
G
P
-------
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
M
-------------------------------------------------------------------------------
7
PsiBlast_PDB
51.56
23%
6
- C3 -
-
5FEX
5
HYDE_THEMA
A:
[22-301]
---
R
R
E
F
T
R
E
V
L
K
E
A
L
S
I
N
D
R
G
---
F
N
-
E
-
A
L
F
K
L
A
D
E
I
R
R
K
Y
V
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
--
L
R
R
D
N
K
N
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
G
-
E
D
P
Y
----
M
P
D
V
I
S
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
-
N
P
V
L
H
R
K
L
R
P
D
T
S
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
L
F
L
K
E
H
D
F
D
M
V
G
I
G
P
-------
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
M
-------------------------------------------------------------------------------
15
PsiBlast_PDB
51.55
23%
9
- C3 -
-
5FF2
7
HYDE_THEMA
A:
[12-291]
---
R
R
E
F
T
R
E
V
L
K
E
A
L
S
I
N
D
R
G
---
F
N
-
E
-
A
L
F
K
L
A
D
E
I
R
R
K
Y
V
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
--
L
R
R
D
N
K
N
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
G
-
E
D
P
Y
Y
---
M
P
D
V
I
S
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
-
N
P
V
L
H
R
K
L
R
P
D
T
S
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
L
F
L
K
E
H
D
F
D
M
V
G
I
G
P
-------
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
M
-------------------------------------------------------------------------------
18
PsiBlast_PDB
51.53
23%
10
- C3 -
-
5FF0
6
HYDE_THEMA
A:
[22-300]
---
R
R
E
F
T
R
E
V
L
K
E
A
L
S
I
N
D
R
G
---
F
N
-
E
-
A
L
F
K
L
A
D
E
I
R
R
K
Y
V
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
--
L
R
R
D
N
K
N
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
G
-
E
D
P
Y
Y
---
M
P
D
V
I
S
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
-
N
P
V
L
H
R
K
L
R
P
D
T
S
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
L
F
L
K
E
H
D
F
D
M
V
G
I
G
P
-------
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
--------------------------------------------------------------------------------
6
PsiBlast_PDB
51.48
23%
10
- C3 -
-
5FES
6
HYDE_THEMA
A:
[22-301]
---
R
R
E
F
T
R
E
V
L
K
E
A
L
S
I
N
D
R
G
---
F
N
-
E
-
A
L
F
K
L
A
D
E
I
R
R
K
Y
V
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
--
L
R
R
D
N
K
N
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
G
-
E
D
P
Y
----
M
P
D
V
I
S
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
-
N
P
V
L
H
R
K
L
R
P
D
T
S
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
L
F
L
K
E
H
D
F
D
M
V
G
I
G
P
-------
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
M
-------------------------------------------------------------------------------
12
PsiBlast_PDB
51.32
23%
10
- C3 -
-
3CIX
8
HYDE_THEMA
A:
[12-291]
---
R
R
E
F
T
R
E
V
L
K
E
A
L
S
I
N
D
R
G
---
F
N
-
E
-
A
L
F
K
L
A
D
E
I
R
R
K
Y
V
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
--
L
R
R
D
N
K
N
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
G
-
E
D
P
Y
Y
---
M
P
D
V
I
S
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
-
N
P
V
L
H
R
K
L
R
P
D
T
S
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
L
F
L
K
E
H
D
F
D
M
V
G
I
G
P
-------
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
M
-------------------------------------------------------------------------------
17
PsiBlast_PDB
51.22
23%
10
- C3 -
-
5FEZ
7
HYDE_THEMA
A:
[22-300]
---
R
R
E
F
T
R
E
V
L
K
E
A
L
S
I
N
D
R
G
---
F
N
-
E
-
A
L
F
K
L
A
D
E
I
R
R
K
Y
V
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
--
L
R
R
D
N
K
N
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
G
-
E
D
P
Y
Y
---
M
P
D
V
I
S
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
-
N
P
V
L
H
R
K
L
R
P
D
T
S
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
L
F
L
K
E
H
D
F
D
M
V
G
I
G
P
-------
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
--------------------------------------------------------------------------------
19
PsiBlast_PDB
51.12
23%
10
- C3 -
-
5FF4
7
HYDE_THEMA
A:
[22-300]
---
R
R
E
F
T
R
E
V
L
K
E
A
L
S
I
N
D
R
G
---
F
N
-
E
-
A
L
F
K
L
A
D
E
I
R
R
K
Y
V
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
--
L
R
R
D
N
K
N
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
G
-
E
D
P
Y
Y
---
M
P
D
V
I
S
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
-
N
P
V
L
H
R
K
L
R
P
D
T
S
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
L
F
L
K
E
H
D
F
D
M
V
G
I
G
P
-------
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
--------------------------------------------------------------------------------
16
PsiBlast_PDB
50.94
23%
9
- C3 -
-
5FEW
6
HYDE_THEMA
A:
[22-300]
---
R
R
E
F
T
R
E
V
L
K
E
A
L
S
I
N
D
R
G
---
F
N
-
E
-
A
L
F
K
L
A
D
E
I
R
R
K
Y
V
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
--
L
R
R
D
N
K
N
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
G
-
E
D
P
Y
Y
---
M
P
D
V
I
S
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
-
N
P
V
L
H
R
K
L
R
P
D
T
S
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
L
F
L
K
E
H
D
F
D
M
V
G
I
G
P
-------
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
--------------------------------------------------------------------------------
13
PsiBlast_PDB
50.18
23%
10
- C3 -
-
4JXC
9
HYDE_THEMA
A:
[12-291]
---
R
R
E
F
T
R
E
V
L
K
E
A
L
S
I
N
D
R
G
---
F
N
-
E
-
A
L
F
K
L
A
D
E
I
R
R
K
Y
V
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
--
L
R
R
D
N
K
N
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
G
-
E
D
P
Y
Y
---
M
P
D
V
I
S
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
-
N
P
V
L
H
R
K
L
R
P
D
T
S
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
L
F
L
K
E
H
D
F
D
M
V
G
I
G
P
-------
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
M
-------------------------------------------------------------------------------
14
PsiBlast_PDB
50.13
23%
13
- C3 -
-
4JY9
8
HYDE_THEMA
A:
[12-291]
---
R
R
E
F
T
R
E
V
L
K
E
A
L
S
I
N
D
R
G
---
F
N
-
E
-
A
L
F
K
L
A
D
E
I
R
R
K
Y
V
G
D
E
V
H
I
R
A
I
I
E
F
-
S
N
V
C
R
K
N
C
L
Y
C
G
--
L
R
R
D
N
K
N
L
K
R
Y
R
M
T
P
E
E
I
V
E
R
A
R
L
A
V
Q
F
G
A
K
T
I
V
L
Q
S
G
-
E
D
P
Y
Y
---
M
P
D
V
I
S
D
I
V
K
E
I
K
K
-
M
G
V
A
V
T
L
S
L
G
E
W
P
R
E
Y
Y
E
K
W
K
E
A
G
A
D
R
Y
L
L
R
H
E
T
A
-
N
P
V
L
H
R
K
L
R
P
D
T
S
F
E
N
R
L
N
C
L
L
T
L
K
E
L
G
Y
E
T
G
A
G
S
M
V
G
L
P
G
Q
T
I
D
D
L
V
D
D
L
L
F
L
K
E
H
D
F
D
M
V
G
I
G
P
-------
F
I
P
H
P
D
T
P
L
A
N
E
K
K
G
D
F
T
L
T
L
K
M
V
A
L
T
R
I
L
L
P
D
S
N
I
P
A
T
T
A
M
G
T
I
V
P
G
G
R
E
I
T
L
R
C
G
A
N
V
I
M
-------------------------------------------------------------------------------