@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 : jhp_0655: (2015-12-17 )
MQVLALKYRPKHFSELVGQESVAKTLSLALDNQRLANAYLFSGLRGSGKTSSSRIFARALMCKTGPKAVPCDTCIQCQSALNNHHIDIIEMDGASNRGIDDVRNLIEQTRYKPSFGRYKIFIIDEVHMFTTEAFNALLKTLEEPPSHVKFLLATTDALKLPATILSRTQHFRFKKIPENSVISHLKTILEKEQVSYESSALEKLAHSGQGSLRDTITLLEQAINYCDNAITESKVAEMLGAIDRSVLEDFFQSLINQDEARLQERYAILENYETEGVLEEMMLFLKAKLLSPDSYSILLIERFFKIIMSSLSLLKEGANASFVLLLLKMKFKEALKLKALDDAIVELEQTPFNQSPSISYNAPKQEPKSTERIEGREKLEKRERIETPQTPMLSAKDRIFHNLFKQVQTLVYERNYELGAVFEKNIRFIDFDSQTKTLTWESLATDKDKELLRERFKIVKSIVDGVFGKGENIKIALKHHLENKSAPEETKEVKEFKFPPLKPKLTTETTAEMQEKETKEAVGKALQTKENDTKEVQENETKETKEAQPKEAPTALQEFMANHSNLIEEIKSEFEIKSVELL
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.......400.......410.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540.......550.......560.......570.......580
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
Q
V
L
A
L
KYR
P
K
H
F
S
E
L
V
G
Q
E
S
V
A
K
T
L
S
L
ALDN
Q
R
L
A
N
A
Y
L
FSGLRGSGKT
S
S
S
R
I
F
A
R
A
L
MCKTGPKAVP
C
D
T
C
I
Q
C
Q
S
A
LNNH
H
I
D
I
I
E
MDGASNR
G
I
D
D
V
R
N
L
I
E
QTRYKPSFG
R
Y
K
I
F
I
I
D
E
V
H
M
F
T
T
E
A
F
N
A
L
L
K
T
L
EEPPS
H
V
K
F
L
L
ATTDALKL
P
A
T
I
L
S
RTQH
F
R
F
KKIP
E
N
S
V
I
S
H
L
K
T
I
L
E
K
E
QVS
Y
E
S
S
A
L
E
K
L
A
H
SGQG
S
L
R
D
T
I
T
L
L
E
Q
A
I
N
Y
C
DNAI
T
E
S
K
V
A
E
M
L
G
A
I
D
R
S
V
L
E
D
F
F
Q
S
L
I
N
Q
D
E
A
R
L
Q
E
R
Y
--
A
I
L
E
--N--YET
E
G
V
L
E
E
M
M
L
F
L
K
A
-
K
LLSP---------------------DSY
S
I
L
L
I
E
R
F
F
K
I
I
M
S
S
L
S
L
L
K
EGA
N
A
S
F
V
L
L
L
L
K
M
K
F
K
E
A
LKLKAL
D
D
A
I
V
E
L
EQTPFNQSPSISYNAPKQEPKS
T
E
R
I
E
G
R
E
K
L
E
K
R
ERIETPQTPML
S
A
K
D
R
I
F
H
N
L
F
K
Q
V
Q
T
L
V
Y
ERNYE
L
G
A
V
F
EKN
I
R
F
I
DFDSQT
K
T
L
T
W
E
SLATD
K
D
K
E
L
L
R
E
R
F
K
I
V
K
S
I
V
D
G
VFGKGE
N
I
K
I
A
L
K
H
HLENKSA
P
E
E
T
K
E
V
K
EFKFPPLKPKLTT
E
T
T
A
E
M
Q
E
K
E
T
K
E
A
V
G
K
A
L
QTKEN
D
T
K
E
V
Q
ENETKETKEAQPKEA
P
T
A
L
Q
E
F
M
A
N
H
S
N
L
I
E
E
I
K
S
EFEIKSVELL
66
HHSearch
95.50
37%
-97
- C2 -
1JR3
2
DPO3X_ECOLI
A:
[3-362]
Y
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
--
N
E
A
A
--
A
R
G
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
-
I
A
M
V
Q
L
SPAALGNDMAAI
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
P
L
P
E
P
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
PsiBlast_CBE
88.71
43%
-88
- C2 -
3GLI
5
DPO3X_ECOLI
D:
[26-311]
-
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
N
E
A
A
A
R
--
G
--
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
-
I
A
M
V
Q
---------------------
L
S
P
A
A
L
G
N
D
M
A
A
I
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
PsiBlast_CBE
88.65
43%
-89
- C2 -
3GLF
5
DPO3X_ECOLI
I:
[26-311]
-
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
NE
A
A
A
R
--
G
--
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
-
I
A
M
V
Q
---------------------
L
S
P
A
A
L
G
N
D
M
A
A
I
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
88.59
43%
-89
- C2 -
3GLI
6
DPO3X_ECOLI
C:
[26-311]
-
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
N
E
A
A
A
R
--
G
--
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
-
I
A
M
V
Q
---------------------
L
S
P
A
A
L
G
N
D
M
A
A
I
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
P
L
P
E
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
88.30
43%
-91
- C2 -
3GLI
6
DPO3X_ECOLI
H:
[26-311]
-
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
NE
A
A
A
R
--
G
--
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
-
I
A
M
V
Q
---------------------
L
S
P
A
A
L
G
N
D
M
A
A
I
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
P
L
P
E
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
88.19
47%
-90
- C2 -
1NJF
3
DPO3X_ECOLI
D:
[12-249]
--
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
76
HHSearch
88.13
48%
-90
- C2 -
1NJG
3
DPO3X_ECOLI
A:
[11-249]
-
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
PsiBlast_CBE
88.09
43%
-91
- C2 -
3GLF
6
DPO3X_ECOLI
C:
[26-311]
-
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
N
E
A
A
A
R
--
G
--
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
-
I
A
M
V
Q
---------------------
L
S
P
A
A
L
G
N
D
M
A
A
I
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
P
L
P
E
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
56
Fugue
87.99
35%
-82
- C2 -
1JR3
2
DPO3X_ECOLI
A:
[3-368]
Y
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
--
N
E
A
A
A
R
G
--
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
I
A
M
V
Q
L
---------------------
S
P
A
A
L
G
N
D
M
A
A
I
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
P
L
P
E
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
87.87
43%
-92
- C2 -
3GLH
-
DPO3X_ECOLI
B:
[4-289]
-
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
-
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
-
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
N
E
A
A
A
R
--
G
--
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
-
I
A
M
V
Q
---------------------
L
S
P
A
A
L
G
N
D
M
A
A
I
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
P
L
P
E
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
87.86
43%
-90
- C2 -
3GLF
6
DPO3X_ECOLI
H:
[26-311]
-
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
NE
A
A
A
R
--
G
--
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
-
I
A
M
V
Q
---------------------
L
S
P
A
A
L
G
N
D
M
A
A
I
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
P
L
P
E
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
87.83
43%
-90
- C2 -
3GLI
3
DPO3X_ECOLI
I:
[26-311]
-
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
NE
A
A
A
R
--
G
--
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
-
I
A
M
V
Q
---------------------
L
S
P
A
A
L
G
N
D
M
A
A
I
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
87.71
47%
-90
- C2 -
1NJG
3
DPO3X_ECOLI
A:
[11-249]
-
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
PsiBlast_CBE
87.62
43%
-93
- C2 -
3GLF
4
DPO3X_ECOLI
G:
[26-311]
-
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
NE
A
A
A
R
--
G
--
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
-
I
A
M
V
Q
---------------------
L
S
P
A
A
L
G
N
D
M
A
A
I
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
P
L
P
E
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
PsiBlast_CBE
87.56
42%
-91
- C2 -
3GLG
5
DPO3X_ECOLI
D:
[26-311]
-
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
A
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
N
E
A
A
A
R
--
G
--
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
-
I
A
M
V
Q
---------------------
L
S
P
A
A
L
G
N
D
M
A
A
I
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
PsiBlast_CBE
87.35
43%
-88
- C2 -
3GLF
5
DPO3X_ECOLI
D:
[26-311]
-
Q
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
N
E
A
A
A
R
--
G
--
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
-
I
A
M
V
Q
---------------------
L
S
P
A
A
L
G
N
D
M
A
A
I
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
87.24
43%
-93
- C2 -
3GLF
4
DPO3X_ECOLI
B:
[27-311]
--
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
L
D
D
D
Q
A
L
S
L
V
E
A
M
V
E
A
N
G
E
R
V
M
A
L
I
N
E
A
A
A
R
--
G
--
I
E
W
E
A
L
L
V
E
M
L
G
L
L
H
R
-
I
A
M
V
Q
---------------------
L
S
P
A
A
L
G
N
D
M
A
A
I
E
L
R
M
R
E
L
A
R
T
I
P
P
T
D
I
Q
L
Y
Y
Q
T
L
L
I
G
R
K
E
L
P
Y
A
P
D
R
R
M
G
V
E
M
T
L
L
R
A
L
A
F
H
P
R
M
P
L
P
E
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
87.18
47%
-91
- C2 -
1NJF
3
DPO3X_ECOLI
C:
[12-249]
--
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
PsiBlast_CBE
87.10
47%
-86
- C2 -
1NJF
3
DPO3X_ECOLI
B:
[12-249]
--
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
87.05
47%
-88
- C2 -
1NJF
3
DPO3X_ECOLI
A:
[12-249]
--
V
L
A
R
K
W
R
P
Q
T
F
A
D
V
V
G
Q
E
H
V
L
T
A
L
A
N
G
L
S
L
G
R
I
H
H
A
Y
L
F
S
G
T
R
G
V
G
K
T
S
I
A
R
L
L
A
K
G
L
N
C
E
T
G
I
T
A
T
P
C
G
V
C
D
N
C
R
E
I
E
Q
G
R
F
V
D
L
I
E
I
D
A
A
S
R
T
K
V
E
D
T
R
D
L
L
D
N
V
Q
Y
A
P
A
R
G
R
F
K
V
Y
L
I
D
E
V
H
M
L
S
R
H
S
F
N
A
L
L
K
T
L
E
E
P
P
E
H
V
K
F
L
L
A
T
T
D
P
Q
K
L
P
V
T
I
L
S
R
C
L
Q
F
H
L
K
A
L
D
V
E
Q
I
R
H
Q
L
E
H
I
L
N
E
E
H
I
A
H
E
P
R
A
L
Q
L
L
A
R
A
A
E
G
S
L
R
D
A
L
S
L
T
D
Q
A
I
A
S
G
D
G
Q
V
S
T
Q
A
V
S
A
M
L
G
T
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------