@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 : Q3Y0B7: (2018-01-19 )
MIELRDVSVCFKQKEKEIQAVDSVDLTIEKGDVYGIVGYSGAGKSTLVRVMNLLQKPTAGEVIVNQTNLSQLSPKELRKERKAIGMIFQHFNLMESRTIFDNVDFSLKYSGKSKQERRQKVNELLELVGLEEKASAYPKQLSGGQKQRVAIARALANEPKVLLCDEATSALDPKTTLQILALLKKLNRQLGLTIVLITHEMQVVKEICNKVAVMEDGRIVEKGSSIQIFSNPEEELTKDFIRTATHLDQALETIIAHSAFADQIANKWLVELSYIGNQTNEPLIAHLYSKYQVTANILYGNVELLQETPLGSLIVTLAGETKQRKKALDYLIKSGVKINILQKNDLDSRIKVIEGGR
Atome Classification :
(23 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.......330.......340.......350.....
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
-MIEL
R
D
V
S
V
C
F
K
Q
K
E
K
E
I
QAVD
S
V
D
L
T
I
EKG
D
V
Y
G
IVGYSGA
G
K
S
T
L
V
R
V
M
N
L
LQKPTAG
E
V
I
V
NQTNLSQL
S
P
K
E
L
R
K
E
R
K
A
I
G
M
I
F
Q
H
F
N
L
M
ESRTIFDNV
D
F
S
-
L
K
YSGK
S
K
Q
E
R
R
Q
K
V
N
E
L
L
E
L
VG
L
E
E
K
A
SAY
P
K
QLSGG
Q
K
Q
R
V
A
I
A
R
A
LANEP
K
V
L
L
CDEATSALD
P
K
T
T
L
Q
I
L
A
L
L
K
K
L
N
R
QL
G
L
T
I
V
L
I
T
H
E
M
Q
V
V
K
E
I
C
N
K
V
AVMED
G
R
I
VEKGS
S
I
Q
I
FSN
P
E
E
E
L
T
K
D
F
I
R
-----------
T
A
T
H
L
D
--
Q
A
L
E
T
I
I
A
H
S
A
F
A
D
Q
I
A
N
K
W
L
V
E
L
S
YIGNQTNE
P
L
I
A
H
L
Y
S
K
Y
Q
V
T
A
N
I
L
YG
N
V
E
L
L
Q
ETPL
G
S
L
I
V
T
LAGE
T
K
Q
R
K
K
A
L
D
Y
L
I
KSG
V
K
I
N
I
L
QKNDL
D
S
R
I
K
VIEGGR
129
HHSearch
90.73
45%
-134
- C1 -
-
3TUI
1
METN_ECOLI
C:
[24-364]
-
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
S
E
L
T
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
-
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----------
S
T
L
H
L
D
--
I
-
P
E
D
Y
Q
E
R
L
Q
A
E
P
F
T
D
C
V
P
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
L
G
---------------
2
PsiBlast_PDB
89.99
44%
-108
- C1 -
-
3TUI
1
METN_ECOLI
C:
[24-363]
-
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
S
E
L
T
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
-
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----------
S
T
L
H
L
D
IP
E
D
Y
Q
E
R
L
Q
A
E
P
F
T
D
C
V
P
---
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
L
----------------
3
PsiBlast_PDB
89.04
44%
-112
- C1 -
-
3TUZ
1
METN_ECOLI
C:
[24-363]
-
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
S
E
L
T
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
-
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----------
S
T
L
H
L
D
IP
E
D
Y
Q
E
R
L
Q
A
E
P
F
T
D
C
V
P
---
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
L
----------------
24
PsiBlast_CBE
88.58
44%
-113
- C1 -
-
3TUI
1
METN_ECOLI
H:
[24-363]
-
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
S
E
L
T
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
-
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----------
S
T
L
H
L
D
IP
E
D
Y
Q
E
R
L
Q
A
E
P
F
T
D
C
V
P
---
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
L
----------------
26
PsiBlast_CBE
88.48
44%
-107
- C1 -
-
3TUI
1
METN_ECOLI
D:
[24-363]
-
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
S
E
L
T
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
-
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----------
S
T
L
H
L
D
IP
E
D
Y
Q
E
R
L
Q
A
E
P
F
T
D
C
V
P
---
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
L
----------------
23
PsiBlast_CBE
88.30
44%
-109
- C1 -
-
3TUZ
1
METN_ECOLI
D:
[24-363]
-
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
S
E
L
T
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
-
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----------
S
T
L
H
L
D
IP
E
D
Y
Q
E
R
L
Q
A
E
P
F
T
D
C
V
P
---
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
L
----------------
22
PsiBlast_CBE
87.75
44%
-107
- C1 -
-
3TUZ
1
METN_ECOLI
G:
[24-363]
-
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
S
E
L
T
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
-
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----------
S
T
L
H
L
D
IP
E
D
Y
Q
E
R
L
Q
A
E
P
F
T
D
C
V
P
---
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
L
----------------
21
PsiBlast_CBE
87.62
44%
-112
- C1 -
-
3TUZ
1
METN_ECOLI
H:
[24-362]
-
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
S
E
L
T
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
-
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----------
S
T
L
H
L
D
IP
E
D
Y
Q
E
R
L
Q
A
E
P
F
T
D
C
V
P
---
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
-----------------
25
PsiBlast_CBE
86.73
44%
-105
- C1 -
-
3TUI
1
METN_ECOLI
G:
[24-363]
-
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
S
E
L
T
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
-
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----------
S
T
L
H
L
D
IP
E
D
Y
Q
E
R
L
Q
A
E
P
F
T
D
C
V
P
---
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
L
----------------
128
HHSearch
86.59
45%
-134
- C1 -
-
3DHW
-
METN_ECOLI
C:
[1-341]
-
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
S
E
L
T
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
-
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
E
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----------
S
T
L
H
L
D
--
I
-
P
E
D
Y
Q
E
R
L
Q
A
E
P
F
T
D
C
V
P
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
L
G
---------------
4
PsiBlast_PDB
84.96
43%
-111
- C1 -
-
3TUJ
-
METN_ECOLI
C:
[2-340]
--
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
S
E
L
T
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
-
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----------
S
T
L
H
L
D
IP
E
D
Y
Q
E
R
L
Q
A
E
P
F
T
D
C
V
P
M
---
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
L
----------------
1
PsiBlast_PDB
84.75
44%
-108
- C1 -
-
3DHW
-
METN_ECOLI
C:
[1-340]
-
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
S
E
L
T
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
-
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
E
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----------
S
T
L
H
L
D
IP
E
D
Y
Q
E
R
L
Q
A
E
P
F
T
D
C
V
P
---
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
L
----------------
148
Fugue
73.98
44%
-3
- C1 -
-
3TUZ
1
METN_ECOLI
H:
[23-362]
H
M
I
K
L
S
N
I
T
K
V
F
H
Q
G
T
R
T
I
Q
A
L
N
N
V
S
L
H
V
P
A
G
Q
I
Y
G
V
I
G
A
S
G
A
G
K
S
T
L
I
R
C
V
N
L
L
E
R
P
T
E
G
S
V
L
V
D
G
Q
E
L
T
T
L
S
E
S
E
L
T
K
A
R
R
Q
I
G
M
I
F
Q
H
F
N
L
L
S
S
R
T
V
F
G
N
V
A
L
P
-
L
E
L
D
N
T
P
K
D
E
V
K
R
R
V
T
E
L
L
S
L
V
G
L
G
D
K
H
D
S
Y
P
S
N
L
S
G
G
Q
K
Q
R
V
A
I
A
R
A
L
A
S
N
P
K
V
L
L
C
D
Q
A
T
S
A
L
D
P
A
T
T
R
S
I
L
E
L
L
K
D
I
N
R
R
L
G
L
T
I
L
L
I
T
H
E
M
D
V
V
K
R
I
C
D
C
V
A
V
I
S
N
G
E
L
I
E
Q
D
T
V
S
E
V
F
S
H
P
K
T
P
L
A
Q
K
F
I
Q
-----------
S
T
L
H
L
D
--
I
P
-
E
D
Y
Q
E
R
L
Q
A
E
P
F
T
D
C
V
P
M
L
R
L
E
F
T
G
Q
S
V
D
A
P
L
L
S
E
T
A
R
R
F
N
V
N
N
N
I
I
S
A
Q
M
D
Y
A
G
G
V
K
F
G
I
M
L
T
E
M
H
G
T
Q
Q
D
T
Q
A
A
I
A
W
L
Q
E
H
H
V
K
V
E
V
-----------------
66
PsiBlast_CBE
62.53
31%
-133
- C1 -
-
3PUX
2
MALK_ECOLI
A:
[15-253]
-----------------
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
P
P
A
E
-----
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
-
L
K
L
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
SP
K
M
N
F
L
P
V
K
V
T
A
T
A
I
D
--
Q
------------------------------------------------------------------------------------------------------------
61
PsiBlast_CBE
62.20
31%
-136
- C1 -
-
3RLF
2
MALK_ECOLI
A:
[15-253]
-----------------
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
P
P
A
E
-----
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
-
L
K
L
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
SP
K
M
N
F
L
P
V
K
V
T
A
T
A
I
D
--
Q
------------------------------------------------------------------------------------------------------------
64
PsiBlast_CBE
61.95
31%
-133
- C1 -
-
3PUY
2
MALK_ECOLI
A:
[15-253]
-----------------
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
P
P
A
E
-----
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
-
L
K
L
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
SP
K
M
N
F
L
P
V
K
V
T
A
T
A
I
D
--
Q
------------------------------------------------------------------------------------------------------------
81
PsiBlast_CBE
61.80
31%
-134
- C1 -
-
2R6G
2
MALK_ECOLI (first)
B:
[15-253]
-----------------
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
P
P
A
E
-----
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
-
L
K
L
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
Q
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
SPKMNFLPVKV
T
A
T
A
I
D
--
Q
------------------------------------------------------------------------------------------------------------
59
PsiBlast_CBE
61.56
31%
-133
- C1 -
-
4KI0
3
MALK_ECOLI
A:
[15-253]
-----------------
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
P
P
A
E
-----
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
-
L
K
L
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
SP
K
M
N
F
L
P
V
K
V
T
A
T
A
I
D
--
Q
------------------------------------------------------------------------------------------------------------
82
PsiBlast_CBE
61.41
31%
-130
- C1 -
-
2R6G
2
MALK_ECOLI (first)
A:
[15-253]
-----------------
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
P
P
A
E
-----
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
-
L
K
L
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
Q
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
SPK
M
N
F
L
P
V
K
V
T
A
T
A
I
D
--
Q
------------------------------------------------------------------------------------------------------------
70
PsiBlast_CBE
61.32
31%
-136
- C1 -
-
3PUV
2
MALK_ECOLI
A:
[15-253]
-----------------
E
V
V
V
S
K
D
I
N
L
D
I
H
E
G
E
F
V
V
F
V
G
P
S
G
C
G
K
S
T
L
L
R
M
I
A
G
L
E
T
I
T
S
G
D
L
F
I
G
E
K
R
M
N
D
T
P
P
A
E
-----
R
G
V
G
M
V
F
Q
S
Y
A
L
Y
P
H
L
S
V
A
E
N
M
S
F
G
-
L
K
L
A
G
A
K
K
E
V
I
N
Q
R
V
N
Q
V
A
E
V
L
Q
L
A
H
L
L
D
R
K
P
K
A
L
S
G
G
Q
R
Q
R
V
A
I
G
R
T
L
V
A
E
P
S
V
F
L
L
D
E
P
L
S
N
L
D
A
A
L
R
V
Q
M
R
I
E
I
S
R
L
H
K
R
L
G
R
T
M
I
Y
V
T
H
D
Q
V
E
A
M
T
L
A
D
K
I
V
V
L
D
A
G
R
V
A
Q
V
G
K
P
L
E
L
Y
H
Y
P
A
D
R
F
V
A
G
F
I
G
SP
K
M
N
F
L
P
V
K
V
T
A
T
A
I
D
--
Q
------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
59.12
41%
-66
- C1 -
-
4YMU
1
?
A:
[1-236]
-
M
I
F
V
N
D
V
Y
K
N
F
G
S
----
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
P
T
K
G
E
V
F
I
D
G
V
K
I
N
N
-
G
K
V
N
I
N
K
V
R
Q
K
V
G
M
V
F
Q
H
F
N
L
F
P
H
L
T
A
I
E
N
I
T
L
A
P
V
K
V
K
K
M
N
K
K
E
A
E
E
L
A
V
D
L
L
A
K
V
G
L
L
D
K
K
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
L
N
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
E
I
F
Y
R
A
K
N
E
R
T
R
E
F
L
---------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
58.02
41%
-66
- C1 -
-
4YMV
1
?
A:
[1-236]
-
M
I
F
V
N
D
V
Y
K
N
F
G
S
----
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
P
T
K
G
E
V
F
I
D
G
V
K
I
N
N
-
G
K
V
N
I
N
K
V
R
Q
K
V
G
M
V
F
Q
H
F
N
L
F
P
H
L
T
A
I
E
N
I
T
L
A
P
V
K
V
K
K
M
N
K
K
E
A
E
E
L
A
V
D
L
L
A
K
V
G
L
L
D
K
K
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
L
N
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
E
I
F
Y
R
A
K
N
E
R
T
R
E
F
L
---------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
57.51
41%
-61
- C1 -
-
4YMU
1
?
J:
[1-236]
-
M
I
F
V
N
D
V
Y
K
N
F
G
S
----
L
E
V
L
K
G
V
T
L
K
V
N
K
G
E
V
V
V
I
I
G
P
S
G
S
G
K
S
T
L
L
R
C
I
N
L
L
E
E
P
T
K
G
E
V
F
I
D
G
V
K
I
N
N
-
G
K
V
N
I
N
K
V
R
Q
K
V
G
M
V
F
Q
H
F
N
L
F
P
H
L
T
A
I
E
N
I
T
L
A
P
V
K
V
K
K
M
N
K
K
E
A
E
E
L
A
V
D
L
L
A
K
V
G
L
L
D
K
K
D
Q
Y
P
I
K
L
S
G
G
Q
K
Q
R
L
A
I
A
R
A
L
A
M
Q
P
E
V
M
L
F
D
E
P
T
S
A
L
D
P
E
M
V
K
E
V
L
N
V
M
K
Q
L
A
N
E
-
G
M
T
M
V
V
V
T
H
E
M
G
F
A
R
E
V
G
D
R
V
I
F
M
D
D
G
V
I
V
E
E
G
T
P
E
E
I
F
Y
R
A
K
N
E
R
T
R
E
F
L
---------------------------------------------------------------------------------------------------------------------------------