@TOME V2.3
(Mar 2018)
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 : GTR10_HUMAN: (2018-03-06 )
MGHSPPVLPLCASVSLLGGLTFGYELAVISGALLPLQLDFGLSCLEQEFLVGSLLLGALLASLVGGFLIDCYGRKQAILGSNLVLLAGSLTLGLAGSLAWLVLGRAVVGFAISLSSMACCIYVSELVGPRQRGVLVSLYEAGITVGILLSYALNYALAGTPWGWRHMFGWATAPAVLQSLSLLFLPAGTDETATHKDLIPLQGGEAPKLGPGRPRYSFLDLFRARDNMRGRTTVGLGLVLFQQLTGQPNVLCYASTIFSSVGFHGGSSAVLASVGLGAVKVAATLTAMGLVDRAGRRALLLAGCALMALSVSGIGLVSFAVPMDSGPSCLAVPNATGQTGLPGDSGLLQDSSLPPIPRTNEDQREPILSTAKKTKPHPRSGDPSAPPRLALSSALPGPPLPARGHALLRWTALLCLMVFVSAFSFGFGPVTWLVLSEIYPVEIRGRAFAFCNSFNWAANLFISLSFLDLIGTIGLSWTFLLYGLTAVLGLGFIYLFVPETKGQSLAEIDQQFQKRRFTLSFGHRQNSTGIPYSRIEISAAS
Atome Classification :
(12 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
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MGHSPP
V
L
P
L
C
A
S
V
S
L
L
GGLTFG
Y
E
L
A
VIS
G
A
L
L
P
L
Q
L
D
F
--------
G
L
--------------
S
--------------
C
L
E
Q
--------------
E
--------
F
L
V
G
S
L
L
--------
L
G
A
L
L
A
S
L
V
G
G
F
L
I
D
CYGR
K
Q
AI-LGS
N
L
V
L
L
AG-----------------SL
T
L
G
------------------
L
---
A
---
G
S
L
A
W
L
V
L
G
R
A
V
V
G
F
A
I
S
L
S
S
M
A
C
C
I
Y
V
S
E
LVGPRQR
G
V
L
V
S
L
Y
EAG
I
T
V
G
I
L
L
S
--
Y
A
L
N
Y
-ALA---G-T-------PW----G
W
R
H
MFGW
A
T
A
P
A
V
L
Q
S
L
S
L
L
F
LP-------AG---------TDETATH------------K
D
--------
L
IPLQG-----------G--EA-PKLGPGRP
R
---
Y
S
----
F
-
L
D
L
F
R
-
A
RDNMR-----------GR----T
T
V
G
L
-
G
L
-------
V
L
F
Q
Q
L----TGQP
N
V
L
C
Y
A
S
T
I
F
S
S
--VGFHGG
S
S
A
V
L
A
S
VGL
G
A
V
K
V
A
A
T
L
T
A
M
G
L
V
D
RAGR
R
A
L
L
L
A
G
C
A
L
M
A
L
S
VS
G
I
G
L
V
S
F
A
VPMDSGP
S
C
L
AVPNATGQTGLPGDSGLLQDSSLPPIPRTN
E
D
Q
RE
P
I
L
S
T
A
KKTKPHPRSGDPSAPP
R
L
A
LSSALPGPPLPARG
H
A
L
L
R
W
T
A
L
L
C
L
M
V
F
V
S
A
FSFGF
G
P
V
T
W
L
V
LSEI
Y
P
V
E
IR
G
R
A
F
A
F
CNSFN
W
A
A
N
L
F
I
S
L
S
F
L
D
------
L
------
I
G
TI
G
L
S
W
T
F
L
L
Y
G
L
T
A
V
L
G
L
G
F
I
Y
L
F
V
PETKG
Q
S
L
A
E
I
D
Q
Q
F
Q
KR
R
F
T
L
S
FGHRQNSTGI
P
Y
S
R
I
E
I
SAAS
42
Fugue
84.91
30%
-117
- C2 -
-
4GC0
5
XYLE_ECOLI
A:
[5-479]
--
Y
N
S
S
Y
I
F
S
I
T
L
V
A
T
L
G
G
L
L
F
G
Y
D
T
A
V
I
S
G
T
V
E
S
L
N
T
V
F
VAPQNLS
E
S
A
--------------
A
--------------
N
S
L
L
--------------
G
--------
F
C
V
A
S
A
L
--------
I
G
C
I
I
G
G
A
L
G
G
Y
C
S
N
R
F
G
R
R
D
S
L
-
K
I
A
A
V
L
F
F
I
S
-----------------
G
V
G
S
A
WPELGFTSINPDNTVPVY
L
---
A
---
G
Y
V
P
E
F
V
I
Y
R
I
I
G
G
I
G
V
G
L
A
S
M
L
S
P
M
Y
I
A
E
L
A
P
A
H
I
R
G
K
L
V
S
F
N
Q
F
A
I
I
F
G
Q
L
L
V
--
Y
C
V
N
Y
-
F
I
A
R
S
G
D
-
A
-------
S
W
L
N
T
D
G
W
R
Y
M
F
A
S
E
C
I
P
A
L
L
F
L
M
L
L
Y
T
V
P
ES
P
R
W
L
M
S
R
---------
G
K
Q
E
Q
A
E
------------
G
I
--------
L
R
K
I
M
G
-----------
N
--
T
L
-
A
T
Q
A
V
Q
E
I
K
---
H
S
----
L
-
D
H
G
R
K
-
T
G
G
R
L
L
-----------
M
F
GVG
V
I
V
I
G
V
-
M
L
-------
S
I
F
Q
Q
F
----
V
G
I
N
V
V
L
Y
Y
A
P
E
V
F
K
T
--
L
G
A
-
S
T
D
I
A
L
L
Q
T
I
I
V
G
V
I
N
L
T
F
T
V
L
A
I
M
T
V
D
K
F
G
R
K
P
L
Q
I
I
G
A
L
G
M
A
I
G
M
F
S
L
G
T
A
F
Y
T
Q
A
P
-------------------------------------------------------------------------------------
G
I
V
A
L
L
S
M
L
F
Y
V
A
A
F
A
M
S
W
G
P
V
C
W
V
L
L
S
E
I
F
P
N
A
I
R
G
K
A
L
A
I
A
V
A
A
Q
W
L
A
N
Y
F
V
S
W
T
F
P
M
M
D
K
N
S
W
L
------
V
A
H
F
H
N
G
F
S
Y
W
I
Y
G
C
M
G
V
L
A
A
L
F
M
W
K
F
V
P
E
T
K
G
K
T
L
E
E
L
E
A
L
W
E
----------------------------
21
HHSearch
83.82
31%
-111
- C2 -
-
4GC0
5
XYLE_ECOLI
A:
[14-478]
-----------
T
L
V
A
T
L
G
G
L
L
F
G
Y
D
T
A
V
I
S
G
T
V
E
S
L
N
T
V
F
--------
V
A
PQNLS
E
S
A
------
A
--------------
N
S
L
L
--------------
G
--------
F
C
V
A
S
A
L
--------
I
G
C
I
I
G
G
A
L
G
G
Y
C
S
N
R
F
G
R
R
D
S
L
-
K
I
A
A
V
L
F
F
I
S
-----------------
G
V
G
S
A
WPELGFTSINPDNTVPVY
L
---
A
---
G
Y
V
P
E
F
V
I
Y
R
I
I
G
G
I
G
V
G
L
A
S
M
L
S
P
M
Y
I
A
E
L
A
P
A
H
I
R
G
K
L
V
S
F
N
Q
F
A
I
I
F
G
Q
L
L
V
--
Y
C
V
N
Y
-
F
I
A
---
R
-
S
GD
A
S
W
L
N
T
D
----
G
W
R
Y
M
F
A
S
E
C
I
P
A
L
L
F
L
M
L
L
Y
T
V
P
-------
E
S
---------
P
R
W
L
M
S
R
------------
G
K
--------
Q
E
Q
A
E
G
-----------
I
L
R
K
I
M
G
N
T
L
A
T
Q
A
V
---
Q
E
----
I
-
K
H
S
L
D
H
G
R
K
T
G
G
-----------
R
L
----
L
M
F
G
V
-
G
V
I
V
I
G
V
M
L
S
I
F
Q
Q
F
----
V
G
I
N
V
V
L
Y
Y
A
P
E
V
F
K
T
--
L
G
A
S
T
-
D
I
A
L
L
Q
T
I
I
V
G
V
I
N
L
T
F
T
V
L
A
I
M
T
V
D
K
F
G
R
K
P
L
Q
I
I
G
A
L
G
M
A
I
G
M
F
S
L
G
T
A
F
Y
T
Q
A
----------------------------------------------------------------------------------
P
--
G
-
I
V
A
L
L
S
M
L
F
Y
V
A
A
F
A
M
S
W
G
P
V
C
W
V
L
L
S
E
I
F
P
N
A
I
R
G
K
A
L
A
I
A
V
A
A
Q
W
L
A
N
Y
F
V
S
W
T
F
P
M
------
M
D
K
N
S
W
L
V
A
H
F
H
N
G
F
S
Y
W
I
Y
G
C
M
G
V
L
A
A
L
F
M
W
K
F
V
P
E
T
K
G
K
T
L
E
E
L
E
A
L
W
-----------------------------
22
HHSearch
82.43
31%
-113
- C2 -
-
4GBY
5
XYLE_ECOLI
A:
[14-478]
-----------
T
L
V
A
T
L
G
G
L
L
F
G
Y
D
T
A
V
I
S
G
T
V
E
S
L
N
T
V
F
--------
V
A
PQNLS
E
S
A
------
A
--------------
N
S
L
L
--------------
G
--------
F
C
V
A
S
A
L
--------
I
G
C
I
I
G
G
A
L
G
G
Y
C
S
N
R
F
G
R
R
D
S
L
-
K
I
A
A
V
L
F
F
I
S
-----------------
G
V
G
S
A
WPELGFTSINPDNTVPVY
L
---
A
---
G
Y
V
P
E
F
V
I
Y
R
I
I
G
G
I
G
V
G
L
A
S
M
L
S
P
M
Y
I
A
E
L
A
P
A
H
I
R
G
K
L
V
S
F
N
Q
F
A
I
I
F
G
Q
L
L
V
--
Y
C
V
N
Y
-
F
I
A
---
R
-
S
GD
A
S
W
L
N
T
D
----
G
W
R
Y
M
F
A
S
E
C
I
P
A
L
L
F
L
M
L
L
Y
T
V
P
-------
E
S
---------
P
R
W
L
M
S
R
------------
G
K
--------
Q
E
Q
A
E
G
-----------
I
L
R
K
I
M
G
N
T
L
A
T
Q
A
V
---
Q
E
----
I
-
K
H
S
L
D
H
G
R
K
T
G
G
-----------
R
L
----
L
M
F
G
V
-
G
V
I
V
I
G
V
M
L
S
I
F
Q
Q
F
----
V
G
I
N
V
V
L
Y
Y
A
P
E
V
F
K
T
--
L
G
A
S
T
-
D
I
A
L
L
Q
T
I
I
V
G
V
I
N
L
T
F
T
V
L
A
I
M
T
V
D
K
F
G
R
K
P
L
Q
I
I
G
A
L
G
M
A
I
G
M
F
S
L
G
T
A
F
Y
T
Q
A
----------------------------------------------------------------------------------
P
--
G
-
I
V
A
L
L
S
M
L
F
Y
V
A
A
F
A
M
S
W
G
P
V
C
W
V
L
L
S
E
I
F
P
N
A
I
R
G
K
A
L
A
I
A
V
A
A
Q
W
L
A
N
Y
F
V
S
W
T
F
P
M
------
M
D
K
N
S
W
L
V
A
H
F
H
N
G
F
S
Y
W
I
Y
G
C
M
G
V
L
A
A
L
F
M
W
K
F
V
P
E
T
K
G
K
T
L
E
E
L
E
A
L
W
-----------------------------
24
HHSearch
76.74
26%
-116
- C2 -
-
5EQG
1
GTR1_HUMAN
A:
[12-455]
-------
L
M
L
A
V
G
G
A
V
L
G
S
L
Q
F
G
Y
N
T
G
V
I
N
A
P
Q
K
V
I
E
E
F
Y
--------
N
Q
--------------
T
W
V
H
R
YGESIL
P
T
T
L
T
T
L
W
--------------
S
--------
L
S
V
A
I
F
S
--------
V
G
G
M
I
G
S
F
S
V
G
L
F
V
N
R
F
G
R
R
N
S
M
-
L
M
M
N
L
L
A
F
V
S
-----------------
A
V
L
M
G
------------------
F
---
S
KLG
K
S
F
E
M
L
I
L
G
R
F
I
I
G
V
Y
C
G
L
T
T
G
F
V
P
M
Y
V
G
E
V
S
P
T
A
L
R
G
A
L
G
T
L
H
Q
L
G
I
V
V
G
I
L
I
A
--
Q
V
F
G
L
-
D
S
I
---
M
G
N
-------
K
D
----
L
W
P
L
L
L
S
I
I
F
I
P
A
L
L
Q
C
I
V
L
P
F
C
P
-------
E
S
---------
P
R
F
L
L
I
N
RNE
E
N
R
A
K
----
S
V
--------
L
K
K
L
R
G
-----------
T
--
A
D
V
T
H
D
L
Q
E
M
K
E
E
S
R
Q
M
----
M
R
E
K
K
V
T
-
I
L
E
L
F
R
-----------
S
P
----
A
Y
R
Q
P
I
L
I
-------
A
V
V
L
Q
L
S
Q
Q
L
S
G
I
N
A
V
F
Y
Y
S
T
S
I
F
E
K
--
A
G
V
Q
---
Q
P
V
Y
A
T
I
G
S
G
I
V
N
T
A
F
T
V
V
S
L
F
V
V
E
R
A
G
R
R
T
L
H
L
I
G
L
A
G
M
A
G
C
A
I
L
M
T
I
A
L
A
L
L
E
-
Q
-----------------------------------------------------------------------------
L
P
W
M
--
S
Y
L
-
S
I
V
A
I
F
G
F
V
A
F
F
E
V
G
P
G
P
I
P
W
F
I
V
A
E
L
F
S
Q
G
P
R
P
A
A
I
A
V
A
G
F
S
N
W
T
S
N
F
I
V
G
M
C
F
Q
Y
------
V
------
E
Q
L
C
G
P
Y
-
V
F
I
I
F
T
V
L
L
V
L
F
F
I
F
T
Y
F
K
V
P
E
T
-----------------------------------------
25
HHSearch
76.46
24%
-103
- C2 -
-
4ZW9
4
GTR3_HUMAN
A:
[32-489]
-------
L
I
F
A
I
T
V
A
T
I
G
S
F
Q
F
G
Y
N
T
G
V
I
N
A
P
E
K
I
I
K
E
F
I
--------
T
K
T
L
T
D
K
GNAPPS
E
V
L
L
--------------
T
S
L
W
--------------
S
--------
L
S
V
A
I
F
S
--------
V
G
G
M
I
G
S
F
S
V
G
L
F
V
N
R
F
G
R
R
N
S
M
-
L
I
V
N
L
L
A
V
T
G
-----------------
G
C
F
M
G
L
CK---------------
V
---
A
---
K
S
V
E
M
L
I
L
G
R
L
V
I
G
L
F
C
G
L
C
T
G
F
V
P
M
Y
I
G
E
I
S
P
T
A
L
R
G
A
F
G
T
L
N
Q
L
G
I
V
V
G
I
L
V
A
--
Q
I
F
G
L
-
E
F
I
LG-
S
-
E
--------
E
----
L
W
P
L
L
L
G
F
T
I
L
P
A
I
L
Q
S
A
A
L
P
F
C
P
-------
E
S
---------
P
R
F
L
L
I
N
------------
R
K
E
E
E
N
A
K
Q
I
L
Q
R
L
W
G
-----------
T
--
Q
D
V
S
Q
D
I
Q
E
M
K
D
---
E
S
A
R
M
S
Q
-
E
K
Q
V
T
-
V
L
E
L
F
R
-----------
V
S
----
S
Y
R
Q
P
-
I
I
I
------
S
I
V
L
Q
L
----
S
Q
Q
L
S
G
I
N
A
V
F
Y
Y
S
T
G
I
F
K
D
A
G
V
-
Q
E
P
I
Y
A
T
I
G
A
G
V
V
N
T
I
F
T
V
V
S
L
F
L
V
E
R
A
G
R
R
T
L
H
M
I
G
L
G
G
M
A
F
C
S
T
L
M
T
V
S
L
L
L
K
D
-
N
-----------------------------------------------------------------------------
Y
N
G
M
--
S
F
V
C
I
-
G
A
I
L
V
F
V
A
F
F
E
I
G
P
G
P
I
P
W
F
I
V
A
E
L
F
S
Q
G
P
R
P
A
A
M
A
V
A
G
C
S
N
W
T
S
N
F
L
V
G
L
L
F
P
S
------
A
------
A
H
Y
L
G
A
Y
V
-
F
I
I
F
T
G
F
L
I
T
F
L
A
F
T
F
F
K
V
P
E
T
R
G
R
T
F
E
D
I
T
R
A
F
E
G
---------------------------
6
PsiBlast_PDB
61.23
27%
-105
- C2 -
-
4GC0
4
XYLE_ECOLI
A:
[16-360]
-------------
V
A
T
L
G
G
L
L
F
G
Y
D
T
A
V
I
S
G
T
V
E
S
L
N
T
V
F
--------
V
A
--------------
P
--------------
Q
N
L
S
--------------
E
S
A
A
N
S
L
L
G
F
C
V
A
S
A
L
--------
I
G
C
I
I
G
G
A
L
G
G
Y
C
S
N
R
F
G
R
R
D
S
L
K
I
A
A
V
L
F
F
I
S
G
V
G
S
A
WPELGFTSINPDN
T
V
P
V
Y
------------------
L
---
A
---
G
Y
V
P
E
F
V
I
Y
R
I
I
G
G
I
G
V
G
L
A
S
M
L
S
P
M
Y
I
A
E
L
A
P
A
H
I
R
G
K
L
V
S
F
N
Q
F
A
I
I
F
G
Q
L
L
V
--
Y
C
V
N
Y
-
F
I
A
---
R
-
S
GD
A
----
S
W
L
N
T
D
G
W
R
Y
M
F
A
S
E
C
I
P
A
L
L
F
L
M
L
L
Y
T
V
P
-------
E
S
---------
P
R
W
L
M
S
R
------------
G
K
--------
Q
E
Q
A
E
G
-----------
I
--
L
R
-
K
I
M
G
N
T
L
A
T
---
Q
A
----
V
-
Q
E
I
K
H
-
S
L
D
H
G
R
K
T
G
G
R
L
L
M
F
GV
G
V
----
I
V
I
G
V
-
M
L
-------
S
I
F
Q
Q
F
----
V
G
I
N
V
V
L
Y
Y
A
P
E
V
F
K
T
--
L
G
-
A
S
T
D
I
A
L
L
Q
T
I
I
V
G
V
I
N
L
T
F
T
V
L
A
I
M
T
V
D
K
F
G
R
K
P
L
Q
I
I
G
A
L
G
M
A
I
G
M
F
S
L
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
60.19
27%
-108
- C2 -
-
4GBZ
4
XYLE_ECOLI
A:
[16-360]
-------------
V
A
T
L
G
G
L
L
F
G
Y
D
T
A
V
I
S
G
T
V
E
S
L
N
T
V
F
--------
V
A
--------------
P
--------------
Q
N
L
S
--------------
E
S
A
A
N
S
L
L
G
F
C
V
A
S
A
L
--------
I
G
C
I
I
G
G
A
L
G
G
Y
C
S
N
R
F
G
R
R
D
S
L
K
I
A
A
V
L
F
F
I
S
G
V
G
S
A
W
PELGFTSINPDN
T
V
P
V
Y
------------------
L
---
A
---
G
Y
V
P
E
F
V
I
Y
R
I
I
G
G
I
G
V
G
L
A
S
M
L
S
P
M
Y
I
A
E
L
A
P
A
H
I
R
G
K
L
V
S
F
N
Q
F
A
I
I
F
G
Q
L
L
V
--
Y
C
V
N
Y
-
F
I
A
---
R
-
S
GD
A
----
S
W
L
N
T
D
G
W
R
Y
M
F
A
S
E
C
I
P
A
L
L
F
L
M
L
L
Y
T
V
P
-------
E
S
---------
P
R
W
L
M
S
R
------------
G
K
--------
Q
E
Q
A
E
G
-----------
I
--
L
R
-
K
I
M
G
N
T
L
A
T
---
Q
A
----
V
-
Q
E
I
K
H
-
S
L
D
H
G
R
K
T
GGRLLMFGV
G
V
----
I
V
I
G
V
-
M
L
-------
S
I
F
Q
Q
F
----
V
G
I
N
V
V
L
Y
Y
A
P
E
V
F
K
T
--
L
G
-
A
S
T
D
I
A
L
L
Q
T
I
I
V
G
V
I
N
L
T
F
T
V
L
A
I
M
T
V
D
K
F
G
R
K
P
L
Q
I
I
G
A
L
G
M
A
I
G
M
F
S
L
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
60.03
26%
-71
- C2 -
-
5EQG
1
GTR1_HUMAN
A:
[19-345]
--------------
A
V
L
G
S
L
Q
F
G
Y
N
T
G
V
I
N
A
P
Q
K
V
I
E
E
F
Y
--------
N
Q
--------------
T
--------------
W
V
H
R
YGESIL
P
T
T
L
T
T
L
W
S
--------
L
S
V
A
I
F
S
--------
V
G
G
M
I
G
S
F
S
V
G
L
F
V
N
R
F
G
R
R
N
S
M
-
L
M
M
N
L
L
A
F
V
S
-----------------
A
V
L
M
G
F
S
K---------------
L
---
G
---
K
S
F
E
M
L
I
L
G
R
F
I
I
G
V
Y
C
G
L
T
T
G
F
V
P
M
Y
V
G
E
V
S
P
T
A
L
R
G
A
L
G
T
L
H
Q
L
G
I
V
V
G
I
L
I
A
--
Q
V
F
G
L
D
S
I
M
---
G
-
N
-------
K
D
----
L
W
P
L
L
L
S
I
I
F
I
P
A
L
L
Q
C
I
V
L
P
F
C
P
-------
E
S
P
R
F
L
L
INR-
N
E
E
N
R
A
K
------------
S
V
--------
L
K
K
L
R
G
TADV
T
H
D
L
Q
E
M
K
--
E
E
-
S
R
Q
M
M
R
E
K
K
---
V
T
----
I
-
L
E
L
F
R
-
S
-
P
A
Y
R
-----------
Q
P
----
I
L
I
A
V
-
V
L
-------
Q
L
S
Q
Q
L
----
S
G
I
N
A
V
F
Y
Y
S
T
S
I
F
E
K
--
A
G
V
Q
---
Q
P
V
Y
A
T
I
G
S
G
I
V
N
T
A
F
T
V
V
S
L
F
V
V
E
R
A
G
R
R
T
L
H
L
I
G
L
A
G
M
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
59.98
26%
-70
- C2 -
-
5EQH
1
GTR1_HUMAN
A:
[19-345]
--------------
A
V
L
G
S
L
Q
F
G
Y
N
T
G
V
I
N
A
P
Q
K
V
I
E
E
F
Y
--------
N
Q
--------------
T
--------------
W
V
H
R
YGESIL
P
T
T
L
T
T
L
W
S
--------
L
S
V
A
I
F
S
--------
V
G
G
M
I
G
S
F
S
V
G
L
F
V
N
R
F
G
R
R
N
S
M
-
L
M
M
N
L
L
A
F
V
S
-----------------
A
V
L
M
G
F
S
K---------------
L
---
G
---
K
S
F
E
M
L
I
L
G
R
F
I
I
G
V
Y
C
G
L
T
T
G
F
V
P
M
Y
V
G
E
V
S
P
T
A
L
R
G
A
L
G
T
L
H
Q
L
G
I
V
V
G
I
L
I
A
--
Q
V
F
G
L
D
S
I
M
---
G
-
N
-------
K
D
----
L
W
P
L
L
L
S
I
I
F
I
P
A
L
L
Q
C
I
V
L
P
F
C
P
-------
E
S
P
R
F
L
L
INR-
N
E
E
N
R
A
K
------------
S
V
--------
L
K
K
L
R
G
TADV
T
H
D
L
Q
E
M
K
--
E
E
-
S
R
Q
M
M
R
E
K
K
---
V
T
----
I
-
L
E
L
F
R
-
S
-
P
A
Y
R
-----------
Q
P
----
I
L
I
A
V
-
V
L
-------
Q
L
S
Q
Q
L
----
S
G
I
N
A
V
F
Y
Y
S
T
S
I
F
E
K
--
A
G
V
Q
---
Q
P
V
Y
A
T
I
G
S
G
I
V
N
T
A
F
T
V
V
S
L
F
V
V
E
R
A
G
R
R
T
L
H
L
I
G
L
A
G
M
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
59.94
27%
-105
- C2 -
-
4GBY
4
XYLE_ECOLI
A:
[16-360]
-------------
V
A
T
L
G
G
L
L
F
G
Y
D
T
A
V
I
S
G
T
V
E
S
L
N
T
V
F
--------
V
A
--------------
P
--------------
Q
N
L
S
--------------
E
S
A
A
N
S
L
L
G
F
C
V
A
S
A
L
--------
I
G
C
I
I
G
G
A
L
G
G
Y
C
S
N
R
F
G
R
R
D
S
L
K
I
A
A
V
L
F
F
I
S
G
V
G
S
A
WPELGFTSINPDN
T
V
P
V
Y
------------------
L
---
A
---
G
Y
V
P
E
F
V
I
Y
R
I
I
G
G
I
G
V
G
L
A
S
M
L
S
P
M
Y
I
A
E
L
A
P
A
H
I
R
G
K
L
V
S
F
N
Q
F
A
I
I
F
G
Q
L
L
V
--
Y
C
V
N
Y
-
F
I
A
---
R
-
S
GD
A
----
S
W
L
N
T
D
G
W
R
Y
M
F
A
S
E
C
I
P
A
L
L
F
L
M
L
L
Y
T
V
P
-------
E
S
---------
P
R
W
L
M
S
R
------------
G
K
--------
Q
E
Q
A
E
G
-----------
I
--
L
R
-
K
I
M
G
N
T
L
A
T
---
Q
A
----
V
-
Q
E
I
K
H
-
S
L
D
H
G
R
K
T
G
G
R
L
L
M
F
GV
G
V
----
I
V
I
G
V
-
M
L
-------
S
I
F
Q
Q
F
----
V
G
I
N
V
V
L
Y
Y
A
P
E
V
F
K
T
--
L
G
-
A
S
T
D
I
A
L
L
Q
T
I
I
V
G
V
I
N
L
T
F
T
V
L
A
I
M
T
V
D
K
F
G
R
K
P
L
Q
I
I
G
A
L
G
M
A
I
G
M
F
S
L
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
58.84
26%
-71
- C2 -
-
5EQI
1
GTR1_HUMAN
A:
[19-345]
--------------
A
V
L
G
S
L
Q
F
G
Y
N
T
G
V
I
N
A
P
Q
K
V
I
E
E
F
Y
--------
N
Q
--------------
T
--------------
W
V
H
R
YGESIL
P
T
T
L
T
T
L
W
S
--------
L
S
V
A
I
F
S
--------
V
G
G
M
I
G
S
F
S
V
G
L
F
V
N
R
F
G
R
R
N
S
M
-
L
M
M
N
L
L
A
F
V
S
-----------------
A
V
L
M
G
FSK---------------
L
---
G
---
K
S
F
E
M
L
I
L
G
R
F
I
I
G
V
Y
C
G
L
T
T
G
F
V
P
M
Y
V
G
E
V
S
P
T
A
L
R
G
A
L
G
T
L
H
Q
L
G
I
V
V
G
I
L
I
A
--
Q
V
F
G
L
D
S
I
M
---
G
-
N
-------
K
D
----
L
W
P
L
L
L
S
I
I
F
I
P
A
L
L
Q
C
I
V
L
P
F
C
P
-------
E
S
P
R
F
L
L
INR-
N
E
E
N
R
A
K
------------
S
V
--------
L
K
K
L
R
G
TADV
T
H
D
L
Q
E
M
K
--
E
E
-
S
R
Q
M
M
R
E
K
K
---
V
T
----
I
-
L
E
L
F
R
-
S
-
P
A
Y
R
-----------
Q
P
----
I
L
I
A
V
-
V
L
-------
Q
L
S
Q
Q
L
----
S
G
I
N
A
V
F
Y
Y
S
T
S
I
F
E
K
--
A
G
V
Q
---
Q
P
V
Y
A
T
I
G
S
G
I
V
N
T
A
F
T
V
V
S
L
F
V
V
E
R
A
G
R
R
T
L
H
L
I
G
L
A
G
M
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
57.69
27%
-61
- C2 -
-
4ZW9
4
GTR3_HUMAN
A:
[30-366]
-----
P
A
L
I
F
A
I
T
V
A
T
I
G
S
F
Q
F
G
Y
N
T
G
V
I
N
A
P
E
K
I
I
K
-
E
F
--------
I
T
--------------
K
--------------
T
L
T
D
K
GNAPPS-------
E
--------
V
L
L
T
S
L
W
S
L
S
V
A
I
F
S
V
G
G
M
I
G
S
F
S
V
G
L
F
V
N
R
F
G
R
R
N
S
M
-
L
I
V
N
L
L
A
V
T
G
-----------------
G
C
F
M
G
------------------
L
CKV
A
---
K
S
V
E
M
L
I
L
G
R
L
V
I
G
L
F
C
G
L
C
T
G
F
V
P
M
Y
I
G
E
I
S
P
T
A
L
R
G
A
F
G
T
L
N
Q
L
G
I
V
V
G
I
L
V
A
Q
I
F
G
L
E
F
-
I
L
----
G
-
S
-------
E
E
----
L
W
P
L
L
L
G
F
T
I
L
P
A
I
L
Q
S
A
A
L
P
F
C
P
-------
E
S
P
R
F
L
L
INRK
E
E
E
N
A
K
Q
I
L
Q
R
L
W
GTQDV
S
Q
D
--------
I
Q
E
M
K
D
--------------
E
S
-
A
R
M
S
Q
E
K
-
Q
---
V
T
----
V
-
L
E
L
F
R
-
V
-
S
S
Y
R
-----------
Q
P
----
I
I
I
S
I
-
V
L
-------
Q
L
S
Q
Q
L
----
S
G
I
N
A
V
F
Y
Y
S
T
G
I
F
K
D
--
A
G
V
Q
---
E
P
I
Y
A
T
I
G
A
G
V
V
N
T
I
F
T
V
V
S
L
F
L
V
E
R
A
G
R
R
T
L
H
M
I
G
L
G
G
M
A
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Add PDB User Result:
(3 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
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MGHSPP
V
L
P
L
C
A
S
V
S
L
L
GGLTFG
Y
E
L
A
VIS
G
A
L
L
P
L
Q
L
D
F
G
L
S
C
L
E
Q
E
F
L
V
G
S
L
L
L
G
A
L
L
A
S
L
V
G
G
F
L
I
D
CYGR
K
Q
AILGS
N
L
V
L
L
AGSL
T
L
G
L
A
G
S
L
A
W
L
V
L
G
R
A
V
V
G
F
A
I
S
L
S
S
M
A
C
C
I
Y
V
S
E
LVGPRQR
G
V
L
V
S
L
Y
EAG
I
T
V
G
I
L
L
S
Y
A
L
N
Y
ALAGTPWG
W
R
H
MFGW
A
T
A
P
A
V
L
Q
S
L
S
L
L
F
LPAGTDETATHK
D
L
IPLQGGEAPKLGPGRP
R
Y
S
F
L
D
L
F
R
A
RDNMRGRT
T
V
G
L
G
L
V
L
F
Q
Q
LTGQP
N
V
L
C
Y
A
S
T
I
F
S
S
VGFHGG
S
S
A
V
L
A
S
VGL
G
A
V
K
V
A
A
T
L
T
A
M
G
L
V
D
RAGR
R
A
L
L
L
A
G
C
A
L
M
A
L
S
VS
G
I
G
L
V
S
F
A
VPMDSGP
S
C
L
AVPNATGQTGLPGDSGLLQDSSLPPIPRTN
E
D
Q
RE
P
I
L
S
T
A
KKTKPHPRSGDPSAPP
R
L
A
LSSALPGPPLPARG
H
A
L
L
R
W
T
A
L
L
C
L
M
V
F
V
S
A
FSFGF
G
P
V
T
W
L
V
LSEI
Y
P
V
E
IR
G
R
A
F
A
F
CNSFN
W
A
A
N
L
F
I
S
L
S
F
L
D
L
I
G
TI
G
L
S
W
T
F
L
L
Y
G
L
T
A
V
L
G
L
G
F
I
Y
L
F
V
PETKG
Q
S
L
A
E
I
D
Q
Q
F
Q
KR
R
F
T
L
S
FGHRQNSTGI
P
Y
S
R
I
E
I
SAAS
52
-
100%
-159
- C2 -
-
U052
-
A:
[5-500]
----
P
P
V
L
P
L
C
A
S
V
S
L
L
G
G
L
T
F
G
Y
E
L
A
V
I
S
G
A
L
L
P
L
Q
L
D
F
G
L
S
C
L
E
Q
E
F
L
V
G
S
L
L
L
G
A
L
L
A
S
L
V
G
G
F
L
I
D
C
Y
G
R
K
Q
A
I
L
G
S
N
L
V
L
L
A
G
S
L
T
L
G
L
A
G
S
L
A
W
L
V
L
G
R
A
V
V
G
F
A
I
S
L
S
S
M
A
C
C
I
Y
V
S
E
L
V
G
P
R
Q
R
G
V
L
V
S
L
Y
E
A
G
I
T
V
G
I
L
L
S
Y
A
L
N
Y
A
L
A
G
T
P
W
G
W
R
H
M
F
G
W
A
T
A
P
A
V
L
Q
S
L
S
L
L
F
L
P
A
G
T
D
E
T
A
T
H
K
D
L
I
P
L
Q
G
G
E
A
P
K
L
G
P
G
R
P
R
Y
S
F
L
D
L
F
R
A
R
-
N
M
R
G
R
T
T
V
G
L
G
L
V
L
F
Q
Q
L
T
G
Q
P
N
V
L
C
Y
A
S
T
I
F
S
S
V
G
F
H
---
S
A
V
L
A
S
V
G
L
G
A
V
K
V
A
A
T
L
T
A
M
G
L
V
D
R
A
G
R
R
A
L
L
L
A
G
C
A
L
M
A
L
S
V
S
G
I
G
L
V
S
F
A
V
P
M
---------------------------------------------------------------------------------
H
A
L
L
R
W
T
A
L
L
C
L
M
V
F
V
S
A
F
S
F
G
F
G
P
V
T
W
L
V
L
S
E
I
Y
P
V
E
I
R
G
R
A
F
A
F
C
N
S
F
N
W
A
A
N
L
F
I
S
L
S
F
L
D
L
I
G
T
I
G
-
S
W
T
F
L
L
Y
G
L
T
A
V
L
G
L
G
F
I
Y
L
F
V
P
E
T
-----------------------------------------
53
-
100%
-141
- C2 -
-
U053
-
A:
[1-517]
M
G
H
S
P
P
V
L
P
L
C
A
S
V
S
L
L
G
G
L
T
F
G
Y
E
L
A
V
I
S
G
A
L
L
P
L
Q
L
D
F
G
L
S
C
L
E
Q
E
F
L
V
G
S
L
L
L
G
A
L
L
A
S
L
V
G
G
F
L
I
D
C
Y
G
R
K
Q
A
I
L
G
S
N
L
V
L
L
A
G
S
L
T
L
G
L
A
G
S
L
A
W
L
V
L
G
R
A
V
V
G
F
A
I
S
L
S
S
M
A
C
C
I
Y
V
S
E
L
V
G
P
R
Q
R
G
V
L
V
S
L
Y
E
A
G
I
T
V
G
I
L
L
S
Y
A
L
N
Y
A
L
A
G
T
P
W
G
W
R
H
M
F
G
W
A
T
A
P
A
V
L
Q
S
L
S
L
L
F
L
P
A
G
T
D
E
T
A
T
H
K
D
L
I
P
L
Q
G
G
E
A
P
K
L
G
P
G
R
P
R
Y
S
F
L
D
L
F
R
A
R
-
N
M
R
G
R
T
T
V
G
L
G
L
V
L
F
Q
Q
L
T
G
Q
P
N
V
L
C
Y
A
S
T
I
F
S
S
V
G
F
H
---
S
A
V
L
A
S
V
G
L
G
A
V
K
V
A
A
T
L
T
A
M
G
L
V
D
R
A
G
R
R
A
L
L
L
A
G
C
A
L
M
A
L
S
V
S
G
I
G
L
V
S
F
A
V
P
M
---------------------------------------------------------------------------------
H
A
L
L
R
W
T
A
L
L
C
L
M
V
F
V
S
A
F
S
F
G
F
G
P
V
T
W
L
V
L
S
E
I
Y
P
V
E
I
R
G
R
A
F
A
F
C
N
S
F
N
W
A
A
N
L
F
I
S
L
S
F
L
D
L
I
G
T
I
G
-
S
W
T
F
L
L
Y
G
L
T
A
V
L
G
L
G
F
I
Y
L
F
V
P
E
T
K
G
Q
S
L
A
E
I
D
Q
Q
F
Q
K
R
R
F
------------------------
54
-
100%
-141
- C2 -
-
U054
-
A:
[1-517]
M
G
H
S
P
P
V
L
P
L
C
A
S
V
S
L
L
G
G
L
T
F
G
Y
E
L
A
V
I
S
G
A
L
L
P
L
Q
L
D
F
G
L
S
C
L
E
Q
E
F
L
V
G
S
L
L
L
G
A
L
L
A
S
L
V
G
G
F
L
I
D
C
Y
G
R
K
Q
A
I
L
G
S
N
L
V
L
L
A
G
S
L
T
L
G
L
A
G
S
L
A
W
L
V
L
G
R
A
V
V
G
F
A
I
S
L
S
S
M
A
C
C
I
Y
V
S
E
L
V
G
P
R
Q
R
G
V
L
V
S
L
Y
E
A
G
I
T
V
G
I
L
L
S
Y
A
L
N
Y
A
L
A
G
T
P
W
G
W
R
H
M
F
G
W
A
T
A
P
A
V
L
Q
S
L
S
L
L
F
L
P
A
G
T
D
E
T
A
T
H
K
D
L
I
P
L
Q
G
G
E
A
P
K
L
G
P
G
R
P
R
Y
S
F
L
D
L
F
R
A
R
-
N
M
R
G
R
T
T
V
G
L
G
L
V
L
F
Q
Q
L
T
G
Q
P
N
V
L
C
Y
A
S
T
I
F
S
S
V
G
F
H
---
S
A
V
L
A
S
V
G
L
G
A
V
K
V
A
A
T
L
T
A
M
G
L
V
D
R
A
G
R
R
A
L
L
L
A
G
C
A
L
M
A
L
S
V
S
G
I
G
L
V
S
F
A
V
P
M
---------------------------------------------------------------------------------
H
A
L
L
R
W
T
A
L
L
C
L
M
V
F
V
S
A
F
S
F
G
F
G
P
V
T
W
L
V
L
S
E
I
Y
P
V
E
I
R
G
R
A
F
A
F
C
N
S
F
N
W
A
A
N
L
F
I
S
L
S
F
L
D
L
I
G
T
I
G
-
S
W
T
F
L
L
Y
G
L
T
A
V
L
G
L
G
F
I
Y
L
F
V
P
E
T
K
G
Q
S
L
A
E
I
D
Q
Q
F
Q
K
R
R
F
------------------------