@TOME V2.3
(Nov 2016)
Ref.
-
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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 : PA2798: (2016-02-11 )
MHKVSATLLIIDDDEVVRESLAAYLEDSNFKVLQALNGLQGLQIFESEQPDLVICDLRMPQIDGLELIRRIRQTASETPIIVLSGAGVMSDAVEALRLGAADYLIKPLEDLAVLEHSVRRALDRAYLRVENQRYRDKLEAANRELQASLNLLQEDQNAGRQVQMNMLPVTPWSIEGLEFSHRIIPSLYLSGDFVDYFRVDERRVAFYLADVSGHGASSAFVTVLLKFMTTRLLYESRRNGTLPEFKPSEVLAHINRGLINTKLGKHVTMLGGVIDLEKNSLTYSIGGHLPLPVLFVEGQAGYLEGRGLPVGLFDDATYDDRVMELPPSFSLSLFSDGILDVLPGATLKEKEASLPEQVAAAGGTLDGLRQVFGLANLAEMPDDIALLVLSRNLA
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.......330.......340.......350.......360.......370.......380.......390..--------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MHK
V
S
A
T
L
L
I
IDD
D
E
V
V
R
E
S
L
A
A
Y
L
EDSN
F
K
V
L
Q
A
LNGLQG
L
Q
I
F--ESEQP
D
L
V
I
C
D--LRMPQI
D
G
L
E
L
I
R
R
I
R
Q
TASET
P
I
I
V
L
SGA
G
V
M
S
D
A
V
E
A
L
R
LG
A
A
D
Y
L
I
K
P
L
--
E
-
D
L
A
V
L
E
H
S
V
R
R
A
L
D
R
A
Y
L
R
VE
N
Q
R
Y
R
D
K
L
E
A
A
N
R
E
L
Q
A
S
L
N
L
L
Q
EDQNAG
R
Q
V
--
Q
M
N
M
L
PVTPWSIEG
L
E
F
S
H
RI
I
P
S
L
Y
L-SGD
F
V
D
Y
F
RVDE
R
R
V
A
F
Y
L
ADVSGHG
A
S
S
A
F
V
T
V
L
L
K
F
M
T
T
R
L
L
Y
ESRRNGTLPEF
K
P
S
E
V
L
A
H
I
N
R
G
L
I
N
T
KLGK
H
V
T
M
L
G
G
V
I
D
LEKN
S
L
T
Y
SIGGHLP
L
P
V
L
F
VEGQAGYLEGRG
L
P
V
G
LFDDATYD--D
R
V
MELPPSF
S
L
S
L
F
SD
G
I
L
D
VLPGATL
K
E
K
E
AS
L
P
E
Q
V
A
AAGG
T
L
D
G
L
R
Q
V
F
G
L
A
N
L
A
EMPD
D
I
A
L
L
V
LSRNLA--------
1
PsiBlast_PDB
59.58
98%
-32
- C2 -
3F7A
-
?
A:
[4-392]
---
V
S
A
T
L
L
I
I
D
D
D
E
V
V
R
E
S
L
A
A
Y
L
E
D
S
N
F
K
V
L
Q
A
L
N
G
L
Q
G
L
Q
I
F
--
E
S
E
Q
P
D
L
V
I
C
D
--
L
R
M
P
Q
I
D
G
L
E
L
I
R
R
I
R
Q
T
A
S
E
T
P
I
I
V
L
S
G
A
G
V
M
S
D
A
V
E
A
L
R
L
G
A
A
D
Y
L
I
K
P
L
--
E
-
D
L
A
V
L
E
H
S
V
R
R
A
L
D
R
A
Y
L
R
V
E
N
Q
R
Y
R
D
K
L
E
A
A
N
R
E
L
Q
A
S
L
N
L
L
Q
E
D
Q
N
A
G
R
Q
V
--
Q
M
N
M
L
P
V
T
P
W
S
I
E
--
E
F
S
H
R
I
I
P
S
L
Y
L
-
S
G
D
F
V
D
Y
F
R
V
D
E
R
R
V
A
F
Y
L
A
D
V
S
G
H
G
A
S
S
A
F
V
T
V
L
L
K
F
M
T
T
R
L
L
Y
E
S
R
R
------
F
K
P
S
E
V
L
A
H
I
N
R
G
L
I
N
T
K
L
G
K
H
V
T
M
L
G
G
V
I
D
L
E
K
N
S
L
T
Y
S
I
G
--
L
P
L
P
V
L
F
V
E
G
Q
A
G
Y
L
E
G
R
---
V
G
L
F
D
D
A
T
Y
D
--
D
R
V
M
E
L
P
P
S
F
S
L
S
L
F
S
D
G
I
L
----
G
A
T
L
K
E
K
E
A
S
L
P
E
Q
V
A
A
A
G
G
T
L
D
G
L
R
Q
V
F
G
L
A
N
L
A
E
M
P
D
D
I
A
L
L
V
L
S
R
N
----------
13
PsiBlast_PDB
54.97
32%
-127
- C3 -
3JTE
-
?
A:
[4-128]
-----
A
K
I
L
V
I
D
D
E
S
T
I
L
Q
N
I
K
F
L
L
E
I
D
G
N
E
V
L
T
A
S
S
S
T
E
G
L
R
I
F
T
E
N
C
N
S
I
D
V
V
I
T
D
--
M
K
M
P
K
L
S
G
M
D
I
L
R
E
I
K
K
I
T
P
H
M
A
V
I
I
L
T
G
H
G
D
L
D
N
A
I
L
A
M
K
E
G
A
F
E
Y
L
R
K
P
V
T
A
Q
-
D
L
S
I
---
A
I
N
N
A
I
N
R
K
K
L
L
M
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
PsiBlast_CBE
54.78
31%
-126
- C3 -
4D6X
2
?
B:
[18-137]
------
D
I
L
V
V
D
D
E
V
D
I
R
D
L
V
A
G
I
L
S
D
E
G
H
E
T
R
T
A
F
D
A
D
S
A
L
A
A
I
--
N
D
R
A
P
R
L
V
F
L
D
IW
L
Q
G
S
R
L
D
G
L
A
L
L
D
E
I
K
K
Q
H
P
E
L
P
V
V
M
I
S
G
H
G
N
I
E
T
A
V
S
A
I
R
R
G
A
Y
D
F
I
E
K
P
F
--
K
A
D
R
L
I
L
--
V
A
E
R
A
L
E
T
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
53.78
40%
-122
- C3 -
4KNY
-
KDPE_ECOLI
A:
[4-124]
-----
A
N
V
L
I
V
E
D
E
Q
A
I
R
R
F
L
R
T
A
L
E
G
D
G
M
R
V
F
E
A
E
T
L
Q
R
G
L
L
E
A
--
A
T
R
K
P
D
L
I
I
L
D
--
L
G
L
P
D
G
D
G
I
E
F
I
R
D
L
R
Q
W
-
S
A
V
P
V
I
V
L
S
A
R
S
E
E
S
D
K
I
A
A
L
D
A
G
A
D
D
Y
L
S
K
P
F
----
G
I
G
E
L
Q
A
R
L
R
V
A
L
R
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
53.46
31%
-123
- C3 -
4D6X
3
?
A:
[18-137]
------
D
I
L
V
V
D
D
E
V
D
I
R
D
L
V
A
G
I
L
S
D
E
G
H
E
T
R
T
A
F
D
A
D
S
A
L
A
A
I
--
N
D
R
A
P
R
L
V
F
L
D
IW
L
Q
G
S
R
L
D
G
L
A
L
L
D
E
I
K
K
Q
H
P
E
L
P
V
V
M
I
S
G
H
G
N
I
E
T
A
V
S
A
I
R
R
G
A
Y
D
F
I
E
K
P
F
--
K
A
D
R
L
I
L
--
V
A
E
R
A
L
E
T
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
53.17
39%
-131
- C3 -
4L85
9
KDPE_ECOLI
A:
[4-120]
-----
A
N
V
L
I
V
E
D
E
Q
A
I
R
R
F
L
R
T
A
L
E
G
D
G
M
R
V
F
E
A
E
T
L
Q
R
G
L
L
E
A
--
A
T
R
K
P
D
L
I
I
L
A
--
L
G
-----
G
I
E
F
I
R
D
L
R
Q
W
-
S
A
V
P
V
I
V
L
S
A
R
S
E
E
S
D
K
I
A
A
L
D
A
G
A
D
D
Y
L
S
K
P
F
----
G
I
G
E
L
Q
A
R
L
R
V
A
L
R
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
52.85
39%
-123
- C3 -
1ZH2
1
KDPE_ECOLI
A:
[3-118]
------
N
V
L
I
V
E
D
E
Q
A
I
R
R
F
L
R
T
A
L
E
G
D
G
M
R
V
F
E
A
E
T
L
Q
R
G
L
L
E
A
--
A
T
R
K
P
D
L
I
I
L
D
--
L
G
L
P
D
G
D
G
I
E
F
I
R
D
L
R
Q
W
-
S
A
V
P
V
I
V
L
S
A
R
S
E
E
S
D
K
I
A
A
L
D
A
G
A
D
D
Y
L
S
K
P
F
----
G
I
G
E
L
Q
A
R
L
R
V
A
L
R
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
87
HHSearch
52.61
33%
-135
- C3 -
1QKK
-
DCTD_RHIME
A:
[5-120]
-----
P
S
V
F
L
I
D
D
D
R
D
L
R
K
A
M
Q
Q
T
L
E
L
A
G
F
T
V
S
S
F
A
S
A
T
E
A
L
A
G
L
--
S
A
D
F
A
G
I
V
I
S
D
--
I
R
M
P
G
M
D
G
L
A
L
F
R
K
I
L
A
L
D
P
D
L
P
M
I
L
V
T
G
H
G
D
I
P
M
A
V
Q
A
I
Q
D
G
A
Y
D
F
I
A
K
P
F
--
A
--
A
D
R
L
V
Q
S
A
R
R
A
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
51.87
40%
-120
- C3 -
4KFC
-
KDPE_ECOLI
A:
[4-123]
-----
A
N
V
L
I
V
E
D
E
Q
A
I
R
R
F
L
R
T
A
L
E
G
D
G
M
R
V
F
E
A
E
T
L
Q
R
G
L
L
E
A
--
A
T
R
K
P
D
L
I
I
L
D
--
L
G
L
P
D
G
D
G
I
E
F
I
R
D
L
R
Q
W
-
S
A
V
P
V
I
V
L
S
A
R
S
E
E
S
D
K
I
A
A
L
D
A
G
A
D
D
Y
L
S
K
P
F
----
G
I
G
E
L
Q
A
R
L
R
V
A
L
R
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
PsiBlast_CBE
51.63
31%
-121
- C3 -
4D6Y
2
?
A:
[18-138]
------
D
I
L
V
V
D
D
E
V
D
I
R
D
L
V
A
G
I
L
S
D
E
G
H
E
T
R
T
A
F
D
A
D
S
A
L
A
A
I
--
N
D
R
A
P
R
L
V
F
L
D
I
W
L
Q
G
S
R
L
D
G
L
A
L
L
D
E
I
K
K
Q
H
P
E
L
P
V
V
M
I
S
G
H
G
N
I
E
T
A
V
S
A
I
R
R
G
A
Y
D
F
I
E
K
P
F
--
K
A
D
R
L
I
L
--
V
A
E
R
A
L
E
T
S
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
51.56
39%
-123
- C3 -
4L85
1
KDPE_ECOLI
C:
[4-120]
-----
A
N
V
L
I
V
E
D
E
Q
A
I
R
R
F
L
R
T
A
L
E
G
D
G
M
R
V
F
E
A
E
T
L
Q
R
G
L
L
E
A
--
A
T
R
K
P
D
L
I
I
L
A
--
L
G
L
P
D
G
D
G
I
E
F
I
R
D
L
R
Q
W
-
S
A
V
P
V
I
V
L
S
A
R
S
E
E
S
D
K
I
A
A
L
D
A
G
A
D
D
Y
L
S
K
P
F
----
G
I
G
E
L
Q
A
R
L
R
V
A
L
R
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
51.52
33%
-111
- C3 -
1L5Z
5
DCTD_RHIME
A:
[5-143]
------
S
V
F
L
I
D
D
D
R
D
L
R
K
A
M
Q
Q
T
L
E
L
A
G
F
T
V
S
S
F
A
S
A
T
E
A
L
A
G
L
--
S
A
D
F
A
G
I
V
I
S
D
--
I
R
M
P
G
M
D
G
L
A
L
F
R
K
I
L
A
L
D
P
D
L
P
M
I
L
V
T
G
H
G
D
I
P
M
A
V
Q
A
I
Q
D
G
A
Y
D
F
I
A
K
P
F
--
A
--
A
D
R
L
V
Q
S
A
R
R
A
E
K
K
R
R
L
V
M
E
N
R
S
L
R
R
A
A
E
A
A
S
E
G
L
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
51.27
36%
-133
- C3 -
3EOD
-
RSSB_ECOLI
A:
[6-124]
---
V
G
K
Q
I
L
I
V
E
D
E
Q
V
F
R
S
L
L
D
S
W
F
S
S
L
G
A
T
T
V
L
A
A
D
G
V
D
A
L
E
L
L
--
G
G
F
T
P
D
L
M
I
C
D
--
I
A
-----
G
L
K
L
L
E
H
I
R
N
R
G
D
Q
T
P
V
L
V
I
S
A
T
E
N
M
A
D
I
A
K
A
L
R
L
G
V
E
D
V
L
L
K
P
V
------
N
R
L
R
E
M
V
F
A
C
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
89
HHSearch
51.15
29%
-123
- C3 -
1SRR
1
SP0F_BACSU
A:
[3-118]
----
N
E
K
I
L
I
V
D
D
Q
S
G
I
R
I
L
L
N
E
V
F
N
K
E
G
Y
Q
T
F
Q
A
A
N
G
L
Q
A
L
D
I
V
--
T
K
E
R
P
D
L
V
L
L
D
--
M
K
I
P
G
M
D
G
I
E
I
L
K
R
M
K
V
I
D
E
N
I
R
V
I
I
M
T
A
Y
G
E
L
D
M
I
Q
E
S
K
E
L
G
A
L
T
H
F
A
K
P
F
--
D
--
I
D
E
I
R
D
A
V
K
K
Y
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
50.71
31%
-119
- C3 -
4D6Y
2
?
B:
[18-138]
------
D
I
L
V
V
D
D
E
V
D
I
R
D
L
V
A
G
I
L
S
D
E
G
H
E
T
R
T
A
F
D
A
D
S
A
L
A
A
I
--
N
D
R
A
P
R
L
V
F
L
D
IW
L
Q
G
S
R
L
D
G
L
A
L
L
D
E
I
K
K
Q
H
P
E
L
P
V
V
M
I
S
G
H
G
N
I
E
T
A
V
S
A
I
R
R
G
A
Y
D
F
I
E
K
P
F
--
K
A
D
R
L
I
L
--
V
A
E
R
A
L
E
T
S
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
50.17
39%
-121
- C3 -
4L85
15
KDPE_ECOLI
B:
[4-120]
-----
A
N
V
L
I
V
E
D
-----
R
F
L
R
T
A
L
E
G
D
G
M
R
V
F
E
A
E
T
L
Q
R
G
L
L
E
A
--
A
T
R
K
P
D
L
I
I
L
A
--
L
G
L
P
D
G
D
G
I
E
F
I
R
D
L
R
Q
W
-
S
A
V
P
V
I
V
L
S
A
R
S
E
E
S
D
K
I
A
A
L
D
A
G
A
D
D
Y
L
S
K
P
F
----
G
I
G
E
L
Q
A
R
L
R
V
A
L
R
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
49.99
39%
-116
- C3 -
1ZH2
1
KDPE_ECOLI
B:
[3-118]
------
N
V
L
I
V
E
D
E
Q
A
I
R
R
F
L
R
T
A
L
E
G
D
G
M
R
V
F
E
A
E
T
L
Q
R
G
L
L
E
A
--
A
T
R
K
P
D
L
I
I
L
D
--
L
G
L
P
D
G
D
G
I
E
F
I
R
D
L
R
Q
W
-
S
A
V
P
V
I
V
L
S
A
R
S
E
E
S
D
K
I
A
A
L
D
A
G
A
D
D
Y
L
S
K
P
F
----
G
I
G
E
L
Q
A
R
L
R
V
A
L
R
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
97
Fugue
49.68
21%
-77
- C3 -
1NY5
8
?
A:
[1-384]
-----
M
N
V
L
V
I
E
D
D
K
V
F
R
G
L
L
E
E
Y
L
S
M
K
G
I
K
V
E
S
A
E
R
G
K
E
A
Y
K
L
L
--
S
E
K
H
F
N
V
V
L
L
D
--
L
L
L
P
D
V
N
G
L
E
I
L
K
W
I
K
E
R
S
P
E
T
E
V
I
V
I
T
G
H
G
T
I
K
T
A
V
E
A
M
K
M
G
A
Y
D
F
L
T
K
P
C
----
M
L
E
E
I
E
L
T
I
N
K
A
I
E
H
R
K
L
R
K
E
N
E
L
L
R
R
E
K
D
L
K
E
E
E
Y
V
F
E
S
P
K
M
K
E
I
L
E
K
I
K
K
I
SC
A
E
C
P
V
L
I
T
G
E
S
G
V
G
K
E
V
V
A
R
L
I
H
K
L
S
D
R
S
K
E
P
F
V
A
L
N
V
A
S
I
P
R
D
I
F
E
A
E
L
F
G
Y
-
E
K
G
A
F
T
G
---
A
V
S
S
K
E
G
F
F
E
L
A
D
G
G
T
L
F
L
D
E
I
G
E
L
S
L
E
A
Q
A
K
L
L
R
V
I
E
S
G
K
F
Y
R
L
G
G
-------------
R
K
E
I
E
V
N
V
R
I
L
A
A
T
N
R
N
I
K
E
L
V
K
E
G
K
F
R
E
D
L
Y
Y
R
L
G
V
I
E
I
E
I
P
P
L
R
E
R
K
E
D
I
I
P
L
A
N
H
F
L
K
K
F
S
R
K
Y
A
K
E
V
E
G
F
T
K
S
A
Q
E
L
L
L
S
Y
P
W
Y
G
N
V
R
E
L
K
N
V
I
E
R
A
V
L
F
S
E
G
K
F
I
D
R
G
E
L
S
C
L
V
22
PsiBlast_CBE
49.63
33%
-112
- C3 -
1L5Y
9
DCTD_RHIME
B:
[5-143]
------
S
V
F
L
I
D
D
D
R
D
L
R
K
A
M
Q
Q
T
L
E
L
A
G
F
T
V
S
S
F
A
S
A
T
E
A
L
A
G
L
--
S
A
D
F
A
G
I
V
I
S
D
--
I
R
M
P
G
M
D
G
L
A
L
F
R
K
I
L
A
L
D
P
D
L
P
M
I
L
V
T
G
H
G
D
I
P
M
A
V
Q
A
I
Q
D
G
A
Y
D
F
I
A
K
P
F
--
A
--
A
D
R
L
V
Q
S
A
R
R
A
E
K
K
R
R
L
V
M
E
N
R
S
L
R
R
A
A
E
A
A
S
E
G
L
K
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
49.62
39%
-115
- C3 -
1ZH4
2
KDPE_ECOLI
A:
[3-118]
------
N
V
L
I
V
E
D
E
Q
A
I
R
R
F
L
R
T
A
L
E
G
D
G
M
R
V
F
E
A
E
T
L
Q
R
G
L
L
E
A
--
A
T
R
K
P
D
L
I
I
L
D
--
L
G
L
P
D
G
D
G
I
E
F
I
R
D
L
R
Q
W
-
S
A
V
P
V
I
V
L
S
A
R
S
E
E
S
D
K
I
A
A
L
D
A
G
A
D
D
Y
L
S
K
P
F
----
G
I
G
E
L
Q
A
R
L
R
V
A
L
R
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------