@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 : bsu34630: (2016-07-28 )
MATLSDVAKKANVSKMTVSRVINHPETVTDELKKLVHSAMKELNYIPNYAARALVQNRTQVVKLLILEEMDTTEPYYMNLLTGISRELDRNHYALQLVTRNSLNIGQCDGIIATGLRKNDFEGVIKAFEKPLVVFGQNEMGYDFIDVNNEKGTFMATRHVMGLGEREVVFFGIDLDEPFERAREQGYIRAMNKSFKKSNMFRIDNSSKKSECLARELLKSMDNQAAFVCASDRIALGVIRAAQSLGKRIPEDVAVTGNDGVFLDRISSPRLTTVRQPVVEMGEACAKMLLKKMNEDGAAQGSLFFEPELIVRESTL
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)
(Ligand)
(Uniprot)
MA
T
L
S
D
V
A
K
KAN
V
S
K
M
T
V
S
R
VINHP
E
T
-
V
T
D
E
L
K
K
L
V
H
S
A
M
K
ELNYI
P
N
--
Y
A
A
R
A
L
V
Q
N
R
T
Q
V
V
K
L
L
I
L
EEMDTT
E
P
Y
Y
M
N
L
L
T
G
I
S
R
E
LDRN
H
Y
A
L
Q
L
--------
V
T--------R---N-------SLNI---GQCD
G
I
I
A
TGLRK
N
D
F
E
G
-
V
I
K
-
A
F
EK----
P
L
V
V
F
GQNEM---G
Y
D
F
I
D
V---NNEK
G
T
F
M
A
T
R
H
VMGLGE
R
E
V
V
F
F
GIDL
D
E
P
F
E
R
----
A
R
EQ
G
Y
I
R
A
M
N
K
SFKK---SN--
M
F
RIDNSS
K
K
S
E
C
L
A
R
E
L
L
K
SMDNQ
A
A
F
V
CASD
R
I
A
L
G
V
I
R
A
A
Q
S
L
G
K
RIPE
D
V
A
V
TGND
G
V
F
L
DRISSPR
L
T
T
V
R
Q
P
V
V
E
M
G
E
A
C
A
K
M
L
L
K
KMNEDGAAQG
S
L
F
FEP
E
L
I
V
RESTL
61
HHSearch
75.96
30%
-12
- C2 -
1QPZ
2
PURR_ECOLI
A:
[1-330]
-
A
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
A
T
S
---
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
--------
G
N
A-------
W
NN
L
E
K
Q
R
A
Y
L
S
M
M
A
Q
---
K
R
V
D
G
L
L
V
M
C
S
E
Y
P
E
P
L
L
A
M
L
E
E
Y
R
H
I
----
P
M
V
V
M
D
W
G
E
A
KAD
F
T
D
A
V
I
D
---
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
G
V
I
P
G
P
L
E
R
N
T
G
A
----
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
--
P
E
SW
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
V
-
3
PsiBlast_PDB
75.27
30%
-15
- C2 -
1QQA
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
A
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
--------
G
N
AWNN
L
E
K
Q
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
---
G
V
-
I
P
G
P
L
E
R
NTG
A
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
9
PsiBlast_PDB
75.25
30%
-13
- C2 -
1PNR
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
---
G
V
-
I
P
G
P
L
E
R
NTG
A
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
VPE
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
10
PsiBlast_PDB
75.03
30%
-16
- C2 -
1BDI
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
R
HI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
---
G
V
-
I
P
G
P
L
E
R
NTG
A
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
1
PsiBlast_PDB
74.73
30%
-14
* C2 *
1BDH
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
A
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
--------
G
N
AWNN
L
E
K
Q
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
---
G
V
-
I
P
G
P
L
E
R
NTG
A
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
VPE
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
13
PsiBlast_PDB
74.51
30%
-14
- C2 -
1QP4
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
---
G
V
-
I
P
G
P
L
E
R
NTG
A
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
20
PsiBlast_PDB
73.68
30%
-12
- C2 -
1JFT
3
PURR_ECOLI
A:
[1-329]
-
A
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
A
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
---
G
V
-
I
P
G
P
L
E
R
NT
G
A
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
2
PsiBlast_PDB
73.65
30%
-13
- C2 -
1QP7
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
A
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
--------
G
N
AWNN
L
E
K
Q
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
---
G
V
-
I
P
G
P
L
E
R
NTG
A
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
14
PsiBlast_PDB
73.64
30%
-12
- C2 -
1QPZ
2
PURR_ECOLI
A:
[1-329]
-
A
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
---
G
V
-
I
P
G
P
L
E
R
NTG
A
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
16
PsiBlast_PDB
73.61
29%
-10
- C2 -
2PUA
2
PURR_ECOLI
A:
[1-329]
-
A
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
G
V
I
P
G
P
L
E
A
N
T
G
A
----
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
4
PsiBlast_PDB
73.52
30%
-13
- C2 -
1QQB
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
A
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
--------
G
N
AWNN
L
E
K
Q
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
---
G
V
-
I
P
G
P
L
E
R
NTG
A
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
12
PsiBlast_PDB
73.41
30%
-11
- C2 -
1QP0
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
---
G
V
-
I
P
G
P
L
E
R
NTG
A
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
VPE
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
8
PsiBlast_PDB
73.39
30%
-10
- C2 -
1JH9
4
PURR_ECOLI
A:
[1-329]
-
A
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
NAWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RH
I
P
M
V
V
M
D
R
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
---
G
V
-
I
P
G
P
L
E
R
NTG
A
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
11
PsiBlast_PDB
72.83
30%
-13
- C2 -
1WET
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
---
G
V
-
I
P
G
P
L
E
R
NTG
A
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
15
PsiBlast_PDB
72.73
30%
-10
- C2 -
1ZAY
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
---
G
V
-
I
P
G
P
L
E
R
NTG
A
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
VPE
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
19
PsiBlast_PDB
72.61
29%
-9
- C2 -
2PUD
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
G
V
I
P
G
P
L
E
A
N
T
G
A
----
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
18
PsiBlast_PDB
72.30
29%
-7
- C2 -
2PUC
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
G
V
I
P
G
P
L
E
A
N
T
G
A
----
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
17
PsiBlast_PDB
72.30
29%
-6
- C2 -
2PUB
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
G
V
I
P
G
P
L
E
A
N
T
G
A
----
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
VPE
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
7
PsiBlast_PDB
72.14
29%
-11
- C2 -
2PUG
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
G
V
I
P
G
P
L
E
Q
N
T
G
A
----
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
5
PsiBlast_PDB
72.12
29%
-11
- C2 -
2PUE
2
PURR_ECOLI
A:
[2-329]
--
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
F
-
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
P
S
--
A
V
A
R
S
L
K
V
N
H
T
K
S
I
G
L
L
---
A
T
S
S
E
A
A
Y
F
A
E
I
I
E
A
V
E
K
N
C
F
Q
K
G
Y
T
L
I
L
G
N
AWNN
L
E
K
Q
--------
R
---
A
-------
Y
L
S
M
M
A
Q
K
R
V
D
G
L
L
V
--
M
C
S
E
Y
P
E
P
-
L
L
A
-
M
L
E
E
Y
RHI
P
M
V
V
M
D
W
G
E
A
---
K
A
D
F
T
D
A
V
I
D
N
A
F
E
G
G
Y
M
A
G
R
Y
L
I
E
R
G
H
R
E
I
G
V
I
P
G
P
L
E
Q
N
T
G
A
----
G
R
L
A
G
F
M
K
A
M
E
E
A
M
I
K
V
P
E
S
W
--
I
V
Q
G
D
F
E
P
E
S
G
Y
R
A
M
Q
Q
I
L
S
Q
P
H
R
P
T
A
V
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
E
M
G
L
R
V
P
Q
D
V
S
L
I
G
Y
D
N
V
R
N
A
R
Y
F
T
P
A
L
T
T
I
H
Q
P
K
D
S
L
G
E
T
A
F
N
M
L
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
V
H
P
R
L
I
E
R
R
S
--
48
Fugue
32.62
51%
-76
- C2 -
1QPZ
1
PURR_ECOLI
A:
[1-57]
-
A
T
I
K
D
V
A
K
R
A
N
V
S
T
T
T
V
S
H
V
I
N
K
T
R
-
F
V
A
E
E
T
R
N
A
V
W
A
A
I
K
E
L
H
Y
S
--PS
A
V
A
R
S
L
K
V
N
H
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------