@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 : spr1389: (2018-01-11 )
MSKILVFGHQNPDSDAIGSSVAFAYLAKEAYGLDTEAVALGTPNEETAFVLNYFGVEAPRVITSAKAEGAEQVILTDHNEFQQSVSDIAEVEVYGVVDHHRVANFETASPLYMRLEPVGSASSIVYRMFKEHGVAVPKEIAGLMLSGLISDTLLLKSPTTHPTDKIIAPELAELAGVNLEEYGLAMLKAGTNLASKSAEELIDIDAKTFELNGNNVRVAQVNTVDIAEVLERQAEIEAAMQAANESNGYSDFVLMITDIVNSNSEILALGANMDKVEAAFNFKLENNHAFLAGAVSRKKQVVPQLTESFNA
Atome Classification :
(21 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
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
M
S
K
I
L
V
F
GHQNPDSDAI
G
S
S
V
A
F
A
Y
L
A
K
E
A-YGLDT
E
A
V
ALGTPNEE
T
A
F
V
L
N
YFGVEA
P
R
V
I
T
SAKAEGA
E
Q
V
I
LTD
H
N
E
F
Q
Q
S
V
S
D
I
A
E
V
E
V
Y
G
V
VDHHRVANFETAS
P
L
Y
M
R
LEPVG
S
A
S
S
I
V
Y
R
M
F
K
E
HGVA
V
P
K
E
I
A
G
L
M
L
S
G
L
ISD
T
L
L
LKSPTTHPTDKI
I
A
P
E
L
A
E
L
AGV
N
L
E
-
E
Y
G
L
A
M
L
KAGTNLA
S
K
S
A
E
E
L
IDID
A
K
T
F
E
LNGN
N
V
R
V
A
Q
VN
T
V
D
I
A
E
V
L
E
R
Q
A
E
I
E
A
A
M
Q
AANESNGY
S
D
F
V
L
M
I
T
D
I
V-NSNS
E
I
L
A
-LGANM-D
K
V
E
A
A
F
N
F
K
L--ENN
H
A
F
L
A
G
A
V
S
R
K
K
Q
V
V
P
Q
L
T
E
SFNA
1
PsiBlast_PDB
88.82
94%
-101
- C4 -
-
1WPP
-
PPAC_STRGC
A:
[2-311]
-
S
K
I
L
V
F
G
H
Q
N
P
D
S
D
A
I
G
S
S
Y
A
F
A
Y
L
A
R
E
A
-
Y
G
L
D
T
E
A
V
A
L
G
E
P
N
E
E
T
A
F
V
L
D
Y
F
G
V
A
A
P
R
V
I
T
S
A
K
A
E
G
A
E
Q
V
I
L
T
D
H
N
E
F
Q
Q
S
V
A
D
I
A
E
V
E
V
Y
G
V
V
D
H
H
R
V
A
N
F
E
T
A
S
P
L
Y
M
R
L
E
P
V
G
S
A
S
S
I
V
Y
R
M
F
K
E
H
G
V
A
V
P
K
E
I
A
G
L
M
L
S
G
L
I
S
D
T
L
L
L
K
S
P
T
T
H
P
T
D
K
V
I
A
P
E
L
A
E
L
A
G
V
N
L
E
-
E
Y
G
L
A
M
L
K
A
G
T
N
L
A
S
K
S
A
E
E
L
I
D
I
D
A
K
T
F
E
L
N
G
N
N
V
R
V
A
Q
V
N
T
V
D
I
A
E
V
L
E
R
Q
A
E
I
E
A
A
I
E
K
A
I
A
D
N
G
Y
S
D
F
V
L
M
I
T
D
I
I
-
N
S
N
S
E
I
L
A
-
I
G
S
N
M
-
D
K
V
E
A
A
F
N
F
V
L
--
E
N
N
H
A
F
L
A
G
A
V
S
R
K
K
Q
V
V
P
Q
L
T
E
S
F
N
A
18
PsiBlast_CBE
87.82
93%
-86
- C4 -
-
1K20
2
PPAC_STRGC
B:
[1-310]
-
S
K
I
L
V
F
G
H
Q
N
P
D
S
D
A
I
G
S
S
Y
A
F
A
Y
L
A
R
E
A
-
Y
G
L
D
T
E
A
V
A
L
G
E
P
N
E
E
T
A
F
V
L
D
Y
F
G
V
A
A
P
R
V
I
T
S
A
K
A
E
G
A
E
Q
V
I
L
T
D
H
N
E
F
Q
Q
S
V
A
D
I
A
E
V
E
V
Y
G
V
V
D
H
H
R
V
A
N
F
E
T
A
N
P
L
Y
M
R
L
E
P
V
G
S
A
S
S
I
V
Y
R
M
F
K
E
H
S
V
A
V
S
K
E
I
A
G
L
M
L
S
G
L
I
S
D
T
L
L
L
K
S
P
T
T
H
P
T
D
K
A
I
A
P
E
L
A
E
L
A
G
V
N
L
E
-
E
Y
G
L
A
M
L
K
A
G
T
N
L
A
S
K
S
A
E
E
L
I
D
I
D
A
K
T
F
E
L
N
G
N
N
V
R
V
A
Q
V
N
T
V
D
I
A
E
V
L
E
R
Q
A
E
I
E
A
A
I
E
K
A
I
A
D
N
G
Y
S
D
F
V
L
M
I
T
D
I
I
-
N
S
N
S
E
I
L
A
-
I
G
S
N
M
-
D
K
V
E
A
A
F
N
F
V
L
--
E
N
N
H
A
F
L
A
G
A
V
S
R
K
K
Q
V
V
P
Q
L
T
E
S
F
N
A
24
Fugue
87.63
93%
-83
- C4 -
-
1K20
1
PPAC_STRGC
A:
[1-310]
-
S
K
I
L
V
F
G
H
Q
N
P
D
S
D
A
I
G
S
S
Y
A
F
A
Y
L
A
R
E
A
-
Y
G
L
D
T
E
A
V
A
L
G
E
P
N
E
E
T
A
F
V
L
D
Y
F
G
V
A
A
P
R
V
I
T
S
A
K
A
E
G
A
E
Q
V
I
L
T
D
H
N
E
F
Q
Q
S
V
A
D
I
A
E
V
E
V
Y
G
V
V
D
H
H
R
V
A
N
F
E
T
A
N
P
L
Y
M
R
L
E
P
V
G
S
A
S
S
I
V
Y
R
M
F
K
E
H
S
V
A
V
S
K
E
I
A
G
L
M
L
S
G
L
I
S
D
T
L
L
L
K
S
P
T
T
H
P
T
D
K
A
I
A
P
E
L
A
E
L
A
G
V
N
L
E
-
E
Y
G
L
A
M
L
K
A
G
T
N
L
A
S
K
S
A
E
E
L
I
D
I
D
A
K
T
F
E
L
N
G
N
N
V
R
V
A
Q
V
N
T
V
D
I
A
E
V
L
E
R
Q
A
E
I
E
A
A
I
E
K
A
I
A
D
N
G
Y
S
D
F
V
L
M
I
T
D
I
I
-
N
S
N
S
E
I
L
A
-
I
G
S
N
M
-
D
K
V
E
A
A
F
N
F
V
L
--
E
N
N
H
A
F
L
A
G
A
V
S
R
K
K
Q
V
V
P
Q
L
T
E
S
F
N
A
2
PsiBlast_PDB
87.63
93%
-83
- C4 -
-
1K20
1
PPAC_STRGC
A:
[1-310]
-
S
K
I
L
V
F
G
H
Q
N
P
D
S
D
A
I
G
S
S
Y
A
F
A
Y
L
A
R
E
A
-
Y
G
L
D
T
E
A
V
A
L
G
E
P
N
E
E
T
A
F
V
L
D
Y
F
G
V
A
A
P
R
V
I
T
S
A
K
A
E
G
A
E
Q
V
I
L
T
D
H
N
E
F
Q
Q
S
V
A
D
I
A
E
V
E
V
Y
G
V
V
D
H
H
R
V
A
N
F
E
T
A
N
P
L
Y
M
R
L
E
P
V
G
S
A
S
S
I
V
Y
R
M
F
K
E
H
S
V
A
V
S
K
E
I
A
G
L
M
L
S
G
L
I
S
D
T
L
L
L
K
S
P
T
T
H
P
T
D
K
A
I
A
P
E
L
A
E
L
A
G
V
N
L
E
-
E
Y
G
L
A
M
L
K
A
G
T
N
L
A
S
K
S
A
E
E
L
I
D
I
D
A
K
T
F
E
L
N
G
N
N
V
R
V
A
Q
V
N
T
V
D
I
A
E
V
L
E
R
Q
A
E
I
E
A
A
I
E
K
A
I
A
D
N
G
Y
S
D
F
V
L
M
I
T
D
I
I
-
N
S
N
S
E
I
L
A
-
I
G
S
N
M
-
D
K
V
E
A
A
F
N
F
V
L
--
E
N
N
H
A
F
L
A
G
A
V
S
R
K
K
Q
V
V
P
Q
L
T
E
S
F
N
A
3
PsiBlast_PDB
86.53
85%
-91
- C4 -
-
2ENX
2
PPAC_STRA5
A:
[1-310]
-
S
K
I
L
V
F
G
H
Q
N
P
D
S
D
A
I
G
S
S
V
A
F
A
Y
L
A
K
E
A
-
W
G
L
D
T
E
A
V
A
L
G
T
P
N
E
E
T
A
Y
V
L
D
Y
F
G
V
Q
A
P
R
V
V
E
S
A
K
A
E
G
V
E
T
V
I
L
T
D
H
N
E
F
Q
Q
S
I
S
D
I
K
D
V
T
V
Y
G
V
V
D
H
H
R
V
A
N
F
E
T
A
N
P
L
Y
M
R
L
E
P
V
G
S
A
S
S
I
V
Y
R
M
F
K
E
N
G
V
S
V
P
K
E
L
A
G
L
L
L
S
G
L
I
S
D
T
L
L
L
K
S
P
T
T
H
A
S
D
I
P
V
A
K
E
L
A
E
L
A
G
V
N
L
E
-
E
Y
G
L
E
M
L
K
A
G
T
N
L
S
S
K
T
A
A
E
L
I
D
I
D
A
K
T
F
E
L
N
G
E
A
V
R
V
A
Q
V
N
T
V
D
I
N
D
I
L
A
R
Q
E
E
I
E
V
A
I
Q
E
A
I
V
T
E
G
Y
S
D
F
V
L
M
I
T
D
I
V
-
N
S
N
S
E
I
L
A
-
L
G
S
N
M
-
A
K
V
E
A
A
F
E
F
T
L
--
E
N
N
H
A
F
L
A
G
A
V
S
R
K
K
Q
V
V
P
Q
L
T
E
S
Y
N
A
19
PsiBlast_CBE
85.39
85%
-86
- C4 -
-
2ENX
2
PPAC_STRA5
B:
[1-310]
-
S
K
I
L
V
F
G
H
Q
N
P
D
S
D
A
I
G
S
S
V
A
F
A
Y
L
A
K
E
A
-
W
G
L
D
T
E
A
V
A
L
G
T
P
N
E
E
T
A
Y
V
L
D
Y
F
G
V
Q
A
P
R
V
V
E
S
A
K
A
E
G
V
E
T
V
I
L
T
D
H
N
E
F
Q
Q
S
I
S
D
I
K
D
V
T
V
Y
G
V
V
D
H
H
R
V
A
N
F
E
T
A
N
P
L
Y
M
R
L
E
P
V
G
S
A
S
S
I
V
Y
R
M
F
K
E
N
G
V
S
V
P
K
E
L
A
G
L
L
L
S
G
L
I
S
D
T
L
L
L
K
S
P
T
T
H
A
S
D
I
P
V
A
K
E
L
A
E
L
A
G
V
N
L
E
-
E
Y
G
L
E
M
L
K
A
G
T
N
L
S
S
K
T
A
A
E
L
I
D
I
D
A
K
T
F
E
L
N
G
E
A
V
R
V
A
Q
V
N
T
V
D
I
N
D
I
L
A
R
Q
E
E
I
E
V
A
I
Q
E
A
I
V
T
E
G
Y
S
D
F
V
L
M
I
T
D
I
V
-
N
S
N
S
E
I
L
A
-
L
G
S
N
M
-
A
K
V
E
A
A
F
E
F
T
L
--
E
N
N
H
A
F
L
A
G
A
V
S
R
K
K
Q
V
V
P
Q
L
T
E
S
Y
N
A
4
PsiBlast_PDB
82.33
79%
-86
- C4 -
-
1I74
-
PPAC_STRMU
A:
[1-308]
-
S
K
I
L
V
F
G
H
Q
N
P
D
S
D
A
I
G
S
S
M
A
Y
A
Y
L
-
K
R
Q
-
L
G
V
D
A
Q
A
V
A
L
G
N
P
N
E
E
T
A
F
V
L
D
Y
F
G
I
Q
A
P
P
V
V
K
S
A
Q
A
E
G
A
K
Q
V
I
L
T
D
H
N
E
F
Q
Q
S
I
A
D
I
R
E
V
E
V
V
E
V
V
D
H
H
R
V
A
N
F
E
T
A
N
P
L
Y
M
R
L
E
P
V
G
S
A
S
S
I
V
Y
R
L
Y
K
E
N
G
V
A
I
P
K
E
I
A
G
V
M
L
S
G
L
I
S
D
T
L
L
L
K
S
P
T
T
H
A
S
D
P
A
V
A
E
D
L
A
K
I
A
G
V
D
L
Q
-
E
Y
G
L
A
M
L
K
A
G
T
N
L
A
S
K
T
A
A
Q
L
V
D
I
D
A
K
T
F
E
L
N
G
S
Q
V
R
V
A
Q
V
N
T
V
D
I
N
E
V
L
E
R
Q
N
E
I
E
E
A
I
K
A
S
Q
A
A
N
G
Y
S
D
F
V
L
M
I
T
D
I
L
-
N
S
N
S
E
I
L
A
-
L
G
N
N
T
-
D
K
V
E
A
A
F
N
F
T
L
--
K
N
N
H
A
F
L
A
G
A
V
S
R
K
K
Q
V
V
P
Q
L
T
E
S
F
N
-
34
HHSearch
76.88
84%
14
- C4 -
-
2ENX
2
PPAC_STRA5
A:
[1-309]
-
S
K
I
L
V
F
G
H
Q
N
P
D
S
D
A
I
G
S
S
V
A
F
A
Y
L
A
-
K
E
A
W
G
L
D
T
E
A
V
A
L
G
T
P
N
E
E
T
A
Y
V
L
D
Y
F
G
V
Q
A
P
R
V
V
E
S
A
K
A
E
G
V
E
T
V
I
L
T
D
H
N
E
F
Q
Q
S
I
S
D
I
K
D
V
T
V
Y
G
V
V
D
H
H
R
V
A
N
F
E
T
A
N
P
L
Y
M
R
L
E
P
V
G
S
A
S
S
I
V
Y
R
M
F
K
E
N
G
V
S
V
P
K
E
L
A
G
L
L
L
S
G
L
I
S
D
T
L
L
L
K
S
P
T
T
H
A
S
D
I
P
V
A
K
E
L
A
E
L
A
G
V
N
L
E
-
E
Y
G
L
E
M
L
K
A
G
T
N
L
S
S
K
T
A
A
E
L
I
D
I
D
A
K
T
F
E
L
N
G
E
A
V
R
V
A
Q
V
N
T
V
D
I
N
D
I
L
A
R
Q
E
E
I
E
V
A
I
Q
E
A
I
V
T
E
G
Y
S
D
F
V
L
M
I
T
D
I
V
-
N
S
N
S
E
I
L
A
-
L
G
S
N
M
-
A
K
V
E
A
A
F
E
F
T
L
--
E
N
N
H
A
F
L
A
G
A
V
S
R
K
K
Q
V
V
P
Q
L
T
E
S
Y
N
-
6
PsiBlast_PDB
73.99
55%
-90
- C4 -
-
2HAW
2
PPAC_BACSU
A:
[2-307]
-
E
K
I
L
I
F
G
H
Q
N
P
D
T
D
T
I
C
S
A
I
A
Y
A
D
L
-
K
N
K
-
L
G
F
N
A
E
P
V
R
L
G
Q
V
N
G
E
T
Q
Y
A
L
D
Y
F
K
Q
E
S
P
R
L
V
E
T
A
A
N
E
-
V
N
G
V
I
L
V
D
H
N
E
R
Q
Q
S
I
K
D
I
E
E
V
Q
V
L
E
V
I
D
H
H
R
I
A
N
F
E
T
A
E
P
L
Y
Y
R
A
E
P
V
G
C
T
A
T
I
L
N
K
M
Y
K
E
N
N
V
K
I
E
K
E
I
A
G
L
M
L
S
A
I
I
S
D
S
L
L
F
K
S
P
T
C
T
D
Q
D
V
A
A
A
K
E
L
A
E
I
A
G
V
D
A
E
-
E
Y
G
L
N
M
L
K
A
G
A
D
L
S
K
K
T
V
E
E
L
I
S
L
D
A
K
E
F
T
L
G
S
K
K
V
E
I
A
Q
V
N
T
V
D
I
E
D
V
K
K
R
Q
A
E
L
E
A
V
I
S
K
V
V
A
E
K
N
L
D
L
F
L
L
V
I
T
D
I
L
-
E
N
D
S
L
A
L
A
-
I
G
N
E
A
-
A
K
V
E
K
A
F
N
V
T
L
--
E
N
N
T
A
L
L
K
G
V
V
S
R
K
K
Q
V
V
P
V
L
T
D
A
M
--
7
PsiBlast_PDB
73.90
55%
-90
- C4 -
-
2IW4
1
PPAC_BACSU
A:
[2-307]
-
E
K
I
L
I
F
G
H
Q
N
P
D
T
D
T
I
C
S
A
I
A
Y
A
D
L
-
K
N
K
-
L
G
F
N
A
E
P
V
R
L
G
Q
V
N
G
E
T
Q
Y
A
L
D
Y
F
K
Q
E
S
P
R
L
V
E
T
A
A
N
E
-
V
N
G
V
I
L
V
D
H
N
E
R
Q
Q
S
I
K
D
I
E
E
V
Q
V
L
E
V
I
D
H
Q
R
I
A
N
F
E
T
A
E
P
L
Y
Y
R
A
E
P
V
G
C
T
A
T
I
L
N
K
M
Y
K
E
N
N
V
K
I
E
K
E
I
A
G
L
M
L
S
A
I
I
S
D
S
L
L
F
K
S
P
T
C
T
D
Q
D
V
A
A
A
K
E
L
A
E
I
A
G
V
D
A
E
-
E
Y
G
L
N
M
L
K
A
G
A
D
L
S
K
K
T
V
E
E
L
I
S
L
D
A
K
E
F
T
L
G
S
K
K
V
E
I
A
Q
V
N
T
V
D
I
E
D
V
K
K
R
Q
A
E
L
E
A
V
I
S
K
V
V
A
E
K
N
L
D
L
F
L
L
V
I
T
D
I
L
-
E
N
D
S
L
A
L
A
-
I
G
N
E
A
-
A
K
V
E
K
A
F
N
V
T
L
--
E
N
N
T
A
L
L
K
G
V
V
S
R
K
K
Q
V
V
P
V
L
T
D
A
M
--
5
PsiBlast_PDB
73.55
55%
-92
- C4 -
-
1WPM
1
PPAC_BACSU
A:
[2-307]
-
E
K
I
L
I
F
G
H
Q
N
P
D
T
D
T
I
C
S
A
I
A
Y
A
D
L
-
K
N
K
-
L
G
F
N
A
E
P
V
R
L
G
Q
V
N
G
E
T
Q
Y
A
L
D
Y
F
K
Q
E
S
P
R
L
V
E
T
A
A
N
E
-
V
N
G
V
I
L
V
D
H
N
E
R
Q
Q
S
I
K
D
I
E
E
V
Q
V
L
E
V
I
D
H
H
R
I
A
N
F
E
T
A
E
P
L
Y
Y
R
A
E
P
V
G
C
T
A
T
I
L
N
K
M
Y
K
E
N
N
V
K
I
E
K
E
I
A
G
L
M
L
S
A
I
I
S
D
S
L
L
F
K
S
P
T
C
T
D
Q
D
V
A
A
A
K
E
L
A
E
I
A
G
V
D
A
E
-
E
Y
G
L
N
M
L
K
A
G
A
D
L
S
K
K
T
V
E
E
L
I
S
L
D
A
K
E
F
T
L
G
S
K
K
V
E
I
A
Q
V
N
T
V
D
I
E
D
V
K
K
R
Q
A
E
L
E
A
V
I
S
K
V
V
A
E
K
N
L
D
L
F
L
L
V
I
T
D
I
L
-
E
N
D
S
L
A
L
A
-
I
G
N
E
A
-
A
K
V
E
K
A
F
N
V
T
L
--
E
N
N
T
A
L
L
K
G
V
V
S
R
K
K
Q
V
V
P
V
L
T
D
A
M
--
21
PsiBlast_CBE
73.40
55%
-90
- C4 -
-
1WPM
2
PPAC_BACSU
B:
[1-307]
M
E
K
I
L
I
F
G
H
Q
N
P
D
T
D
T
I
C
S
A
I
A
Y
A
D
L
-
K
N
K
-
L
G
F
N
A
E
P
V
R
L
G
Q
V
N
G
E
T
Q
Y
A
L
D
Y
F
K
Q
E
S
P
R
L
V
E
T
A
A
N
E
-
V
N
G
V
I
L
V
D
H
N
E
R
Q
Q
S
I
K
D
I
E
E
V
Q
V
L
E
V
I
D
H
H
R
I
A
N
F
E
T
A
E
P
L
Y
Y
R
A
E
P
V
G
C
T
A
T
I
L
N
K
M
Y
K
E
N
N
V
K
I
E
K
E
I
A
G
L
M
L
S
A
I
I
S
D
S
L
L
F
K
S
P
T
C
T
D
Q
D
V
A
A
A
K
E
L
A
E
I
A
G
V
D
A
E
-
E
Y
G
L
N
M
L
K
A
G
A
D
L
S
K
K
T
V
E
E
L
I
S
L
D
A
K
E
F
T
L
G
S
K
K
V
E
I
A
Q
V
N
T
V
D
I
E
D
V
K
K
R
Q
A
E
L
E
A
V
I
S
K
V
V
A
E
K
N
L
D
L
F
L
L
V
I
T
D
I
L
-
E
N
D
S
L
A
L
A
-
I
G
N
E
A
-
A
K
V
E
K
A
F
N
V
T
L
--
E
N
N
T
A
L
L
K
G
V
V
S
R
K
K
Q
V
V
P
V
L
T
D
A
M
--
20
PsiBlast_CBE
72.91
55%
-89
- C4 -
-
2HAW
6
PPAC_BACSU
B:
[1-307]
M
E
K
I
L
I
F
G
H
Q
N
P
D
T
D
T
I
C
S
A
I
A
Y
A
D
L
-
K
N
K
-
L
G
F
N
A
E
P
V
R
L
G
Q
V
N
G
E
T
Q
Y
A
L
D
Y
F
K
Q
E
S
P
R
L
V
E
T
A
A
N
E
-
V
N
G
V
I
L
V
D
H
N
E
R
Q
Q
S
I
K
D
I
E
E
V
Q
V
L
E
V
I
D
H
H
R
I
A
N
F
E
T
A
E
P
L
Y
Y
R
A
E
P
V
G
C
T
A
T
I
L
N
K
M
Y
K
E
N
N
V
K
I
E
K
E
I
A
G
L
M
L
S
A
I
I
S
D
S
L
L
F
K
S
P
T
C
T
D
Q
D
V
A
A
A
K
E
L
A
E
I
A
G
V
D
A
E
-
E
Y
G
L
N
M
L
K
A
G
A
D
L
S
K
K
T
V
E
E
L
I
S
L
D
A
K
E
F
T
L
G
S
K
K
V
E
I
A
Q
V
N
T
V
D
I
E
D
V
K
K
R
Q
A
E
L
E
A
V
I
S
K
V
V
A
E
K
N
L
D
L
F
L
L
V
I
T
D
I
L
-
E
N
D
S
L
A
L
A
-
I
G
N
E
A
-
A
K
V
E
K
A
F
N
V
T
L
--
E
N
N
T
A
L
L
K
G
V
V
S
R
K
K
Q
V
V
P
V
L
T
D
A
M
--
22
PsiBlast_CBE
72.73
55%
-88
- C4 -
-
2IW4
5
PPAC_BACSU
B:
[1-307]
M
E
K
I
L
I
F
G
H
Q
N
P
D
T
D
T
I
C
S
A
I
A
Y
A
D
L
-
K
N
K
-
L
G
F
N
A
E
P
V
R
L
G
Q
V
N
G
E
T
Q
Y
A
L
D
Y
F
K
Q
E
S
P
R
L
V
E
T
A
A
N
E
-
V
N
G
V
I
L
V
D
H
N
E
R
Q
Q
S
I
K
D
I
E
E
V
Q
V
L
E
V
I
D
H
Q
R
I
A
N
F
E
T
A
E
P
L
Y
Y
R
A
E
P
V
G
C
T
A
T
I
L
N
K
M
Y
K
E
N
N
V
K
I
E
K
E
I
A
G
L
M
L
S
A
I
I
S
D
S
L
L
F
K
S
P
T
C
T
D
Q
D
V
A
A
A
K
E
L
A
E
I
A
G
V
D
A
E
-
E
Y
G
L
N
M
L
K
A
G
A
D
L
S
K
K
T
V
E
E
L
I
S
L
D
A
K
E
F
T
L
G
S
K
K
V
E
I
A
Q
V
N
T
V
D
I
E
D
V
K
K
R
Q
A
E
L
E
A
V
I
S
K
V
V
A
E
K
N
L
D
L
F
L
L
V
I
T
D
I
L
-
E
N
D
S
L
A
L
A
-
I
G
N
E
A
-
A
K
V
E
K
A
F
N
V
T
L
--
E
N
N
T
A
L
L
K
G
V
V
S
R
K
K
Q
V
V
P
V
L
T
D
A
M
--
33
HHSearch
72.47
54%
-87
- C4 -
-
2IW4
5
PPAC_BACSU
B:
[1-308]
M
E
K
I
L
I
F
G
H
Q
N
P
D
T
D
T
I
C
S
A
I
A
Y
A
D
L
K
-
N
K
-
L
G
F
N
A
E
P
V
R
L
G
Q
V
N
G
E
T
Q
Y
A
L
D
Y
F
K
Q
E
S
P
R
L
V
E
-
T
A
A
N
E
V
N
G
V
I
L
V
D
H
N
E
R
Q
Q
S
I
K
D
I
E
E
V
Q
V
L
E
V
I
D
H
Q
R
I
A
N
F
E
T
A
E
P
L
Y
Y
R
A
E
P
V
G
C
T
A
T
I
L
N
K
M
Y
K
E
N
N
V
K
I
E
K
E
I
A
G
L
M
L
S
A
I
I
S
D
S
L
L
F
K
S
P
T
C
T
D
Q
D
V
A
A
A
K
E
L
A
E
I
A
G
V
D
A
E
-
E
Y
G
L
N
M
L
K
A
G
A
D
L
S
K
K
T
V
E
E
L
I
S
L
D
A
K
E
F
T
L
G
S
K
K
V
E
I
A
Q
V
N
T
V
D
I
E
D
V
K
K
R
Q
A
E
L
E
A
V
I
S
K
V
V
A
E
K
N
L
D
L
F
L
L
V
I
T
D
I
L
-
E
N
D
S
L
A
L
A
-
I
G
N
E
A
-
A
K
V
E
K
A
F
N
V
T
L
--
E
N
N
T
A
L
L
K
G
V
V
S
R
K
K
Q
V
V
P
V
L
T
D
A
M
A
-
8
PsiBlast_PDB
70.06
54%
-112
- C4 -
-
1K23
-
PPAC_BACSU
A:
[3-306]
--
K
I
L
I
F
G
H
Q
N
P
D
T
D
T
I
C
S
A
I
A
Y
A
D
L
-
K
N
K
-
L
G
F
N
A
E
P
V
R
L
G
Q
V
N
G
E
T
Q
Y
A
L
D
Y
F
K
Q
E
S
P
R
L
V
E
T
A
A
N
E
-
V
N
G
V
I
L
V
D
H
N
E
R
Q
Q
S
I
K
D
I
E
E
V
Q
V
L
E
V
I
D
H
H
R
I
A
N
F
E
T
A
E
P
L
Y
Y
R
A
E
P
V
G
C
T
A
T
I
L
N
K
M
Y
K
E
N
N
V
K
I
E
K
E
I
A
G
L
M
L
S
A
I
I
S
D
S
L
L
F
K
S
P
T
C
T
D
Q
D
V
A
A
A
K
E
L
A
E
I
A
G
V
D
A
E
-
E
Y
G
L
N
M
L
K
A
G
A
D
L
S
K
K
T
V
E
E
L
I
S
L
D
A
K
E
F
T
L
G
S
K
K
V
E
I
A
Q
V
N
T
V
D
I
E
D
V
K
K
R
Q
A
E
L
E
A
V
I
S
K
V
V
A
E
K
N
L
D
L
F
L
L
V
I
T
D
I
L
-
E
N
D
S
L
A
L
A
-
I
G
N
E
A
-
A
K
V
E
K
A
F
N
V
T
L
--
E
N
N
T
A
L
L
K
G
V
V
S
R
K
K
Q
V
V
P
V
L
T
D
A
---
38
HHSearch
66.89
84%
10
- C4 -
-
1K20
2
PPAC_STRGC
B:
[1-309]
-
S
K
I
L
V
F
G
H
Q
N
P
D
S
D
A
I
G
S
S
Y
A
F
A
Y
L
A
-
R
E
A
Y
G
L
D
T
E
A
V
A
L
G
E
P
N
E
E
T
A
F
V
L
D
Y
F
G
V
A
A
P
R
V
I
T
S
A
K
A
E
G
A
E
Q
V
I
L
T
D
H
N
E
F
Q
Q
S
V
A
D
I
A
E
V
E
V
Y
G
V
V
D
H
H
R
V
A
N
F
E
T
A
N
P
L
Y
M
R
L
E
P
V
G
S
A
S
S
I
V
Y
R
M
F
K
E
H
S
V
A
V
S
K
E
I
A
G
L
M
L
S
G
L
I
S
D
T
L
L
L
K
S
P
T
T
H
P
T
D
K
A
I
A
P
E
L
A
E
L
A
G
V
N
-
L
E
E
Y
G
L
A
M
L
K
A
G
T
N
L
A
S
K
S
A
E
E
L
I
D
I
D
A
K
T
F
E
L
N
G
N
N
V
R
V
A
Q
V
N
T
V
D
I
A
E
V
L
E
R
Q
A
E
I
E
A
A
I
E
K
A
I
A
D
N
G
Y
S
D
F
V
L
M
I
T
D
I
I
N
S
N
S
E
I
L
A
I
G
S
N
M
D
K
V
E
A
A
F
N
F
V
L
E
N
N
HA
F
L
A
G
A
-----
V
S
R
K
K
Q
V
V
P
Q
L
T
E
S
F
N
-
26
Fugue
60.73
94%
-112
- C4 -
-
1K20
1
PPAC_STRGC
A:
[1-189]
-
S
K
I
L
V
F
G
H
Q
N
P
D
S
D
A
I
G
S
S
Y
A
F
A
Y
L
A
R
E
A
-
Y
G
L
D
T
E
A
V
A
L
G
E
P
N
E
E
T
A
F
V
L
D
Y
F
G
V
A
A
P
R
V
I
T
S
A
K
A
E
G
A
E
Q
V
I
L
T
D
H
N
E
F
Q
Q
S
V
A
D
I
A
E
V
E
V
Y
G
V
V
D
H
H
R
V
A
N
F
E
T
A
N
P
L
Y
M
R
L
E
P
V
G
S
A
S
S
I
V
Y
R
M
F
K
E
H
S
V
A
V
S
K
E
I
A
G
L
M
L
S
G
L
I
S
D
T
L
L
L
K
S
P
T
T
H
P
T
D
K
A
I
A
P
E
L
A
E
L
A
G
V
N
L
E
-
E
Y
G
L
A
M
L
K
A
G
------------------------------------------------------------------------------------------------------------------------------
45
HHSearch
54.17
57%
-121
- C4 -
-
1WPN
-
PPAC_BACSU
B:
[2-186]
-
E
K
I
L
I
F
G
H
Q
N
P
D
T
D
T
I
C
S
A
I
A
Y
A
D
L
K
-
N
K
-
L
G
F
N
A
E
P
V
R
L
G
Q
V
N
G
E
T
Q
Y
A
L
D
Y
F
K
Q
E
S
P
R
L
V
E
-
T
A
A
N
E
V
N
G
V
I
L
V
D
H
N
E
R
Q
Q
S
I
K
D
I
E
E
V
Q
V
L
E
V
I
D
H
H
R
I
A
N
F
E
T
A
E
P
L
Y
Y
R
A
E
P
V
G
C
T
A
T
I
L
N
K
M
Y
K
E
N
N
V
K
I
E
K
E
I
A
G
L
M
L
S
A
I
I
S
D
S
L
L
F
K
S
P
T
C
T
D
Q
D
V
A
A
A
K
E
L
A
E
I
A
G
V
D
A
E
-
E
Y
G
L
N
M
L
K
--------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
54.11
57%
-114
- C4 -
-
1WPN
-
PPAC_BACSU
A:
[2-188]
-
E
K
I
L
I
F
G
H
Q
N
P
D
T
D
T
I
C
S
A
I
A
Y
A
D
L
-
K
N
K
-
L
G
F
N
A
E
P
V
R
L
G
Q
V
N
G
E
T
Q
Y
A
L
D
Y
F
K
Q
E
S
P
R
L
V
E
T
A
A
N
E
-
V
N
G
V
I
L
V
D
H
N
E
R
Q
Q
S
I
K
D
I
E
E
V
Q
V
L
E
V
I
D
H
H
R
I
A
N
F
E
T
A
E
P
L
Y
Y
R
A
E
P
V
G
C
T
A
T
I
L
N
K
M
Y
K
E
N
N
V
K
I
E
K
E
I
A
G
L
M
L
S
A
I
I
S
D
S
L
L
F
K
S
P
T
C
T
D
Q
D
V
A
A
A
K
E
L
A
E
I
A
G
V
D
A
E
-
E
Y
G
L
N
M
L
K
A
G
------------------------------------------------------------------------------------------------------------------------------
27
Fugue
44.84
91%
-98
- C4 -
-
1K20
1
PPAC_STRGC
A:
[190-310]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
N
L
A
S
K
S
A
E
E
L
I
D
I
D
A
K
T
F
E
L
N
G
N
N
V
R
V
A
Q
V
N
T
V
D
I
A
E
V
L
E
R
Q
A
E
I
E
A
A
I
E
K
A
I
A
D
N
G
Y
S
D
F
V
L
M
I
T
D
I
I
-
N
S
N
S
E
I
L
A
-
I
G
S
N
M
-
D
K
V
E
A
A
F
N
F
V
L
--
E
N
N
H
A
F
L
A
G
A
V
S
R
K
K
Q
V
V
P
Q
L
T
E
S
F
N
A