@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 : GTR11_HUMAN: (2018-03-06 )
MRALRRLIQGRILLLTICAAGIGGTFQFGYNLSIINAPTLHIQEFTNETWQARTGEPLPDHLVLLMWSLIVSLYPLGGLFGALLAGPLAITLGRKKSLLVNNIFVVSAAILFGFSRKAGSFEMIMLGRLLVGVNAGVSMNIQPMYLGESAPKELRGAVAMSSAIFTALGIVMGQVVGLRELLGGPQAWPLLLASCLVPGALQLASLPLLPESPRYLLIDCGDTEACLAALRRLRGSGDLAGELEELEEERAACQGCRARRPWELFQHRALRRQVTSLVVLGSAMELCGNDSVYAYASSVFRKAGVPEAKIQYAIIGTGSCELLTAVVSCVVIERVGRRVLLIGGYSLMTCWGSIFTVALCLQSSFPWTLYLAMACIFAFILSFGIGPAGVTGILATELFDQMARPAACMVCGALMWIMLILVGLGFPFIMEALSHFLYVPFLGVCVCGAIYTGLFLPETKGKTFQEISKELHRLNFPRRAQGPTWRSLEVIQSTEL
Atome Classification :
(13 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....
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
M
R
A
L
R
R
L
IQG
R
I
L
L
L
T
I
C
AAGIGG
T
F
Q
FG
Y
N
L
S
IINAP
T
L
H
I
Q
E
FTNETWQARTGEPL
P
D
H
L
V
L
L
M
W
S
L
I
V
S
L
YP
L
G
G
L
F
G
A
L
LAG
P
L
A
I
T
LGRK
K
S
L
L
VN
N
I
F
-----
V
V
S
A
A
I
L
F
GFSR---------------K---------------AGS
F
E
M
I
M
L
G
R
L
L
V
GVNAG
V
S
M
N
I
Q
P
M
YLGESA
P
K
E
L
R
G
A
V
A
M
S
S
A
I
F
T
A
L
G
I
V
M
G
Q
V
V
-----------
G
L
R
E
LLGG--------P
Q
------
A
W
P
L
L
L
A
S
C
LVPG
A
L
Q
L
ASLPLLPESP
R
Y
L
L
I
DCG
D
T
E
A
C
L
A
A
L
R
R
LRGSGD
L
A
G
E
L
E
E
L
E
E
E
R
A
A
C
QGCRAR
R
P
W
E
L
F
Q
H
R
A
L
R
R
Q
V
T
S
L
V
V
L
G
S
A
M
----
E
LCGND
S
V
Y
A
Y
A
S
S
V
F
R
KAGVPE
A
K
I
Q
Y
A
I
IGTG
S
C
E
L
L
T
A
V
V
S
C
V
V
I
E
R
VG
R
R
V
L
L
IG
G
Y
S
L
M
T
C
W
G
S
I
F
T
V
A
L
C
L
QSSF
P
W
T
L
Y
L
A
M
A
C
I
F
A
F
I
L
SFGIG
P
A
G
V
T
G
I
L
A
T
E
L
F
D
Q
MAR
P
A
A
C
M
V
C
G
A
L
M
W
I
M
L
I
L
V
GL
G
F
P
F
I
M
E
A
---
L
S
H
-------
F
L
----
Y
V
P
F
L
G
V
C
V
C
G
A
I
Y
T
G
L
FLPETKG
K
T
F
Q
E
I
S
K
E
L
H
RLNFPRRAQGPTW
R
S
L
E
V
I
QSTEL
19
HHSearch
89.94
37%
-154
- C4 -
-
5EQG
1
GTR1_HUMAN
A:
[9-455]
---------
T
G
R
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
Y
G
E
S
I
L
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
I
N
R
N
E
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
-------------------------------------
3
PsiBlast_PDB
89.71
36%
-151
- C4 -
-
5EQG
1
GTR1_HUMAN
A:
[9-455]
--------
T
G
R
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
Y
G
E
S
I
L
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
I
N
R
N
E
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
-------------------------------------
4
PsiBlast_PDB
88.97
36%
-152
- C4 -
-
5EQH
1
GTR1_HUMAN
A:
[9-455]
--------
T
G
R
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
Y
G
E
S
I
L
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
I
N
R
N
E
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
-------------------------------------
5
PsiBlast_PDB
88.50
36%
-150
- C4 -
-
5EQI
1
GTR1_HUMAN
A:
[9-455]
--------
T
G
R
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
Y
G
E
S
I
L
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
I
N
R
N
E
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
-------------------------------------
6
PsiBlast_PDB
87.02
36%
-148
- C4 -
-
4PYP
1
GTR1_HUMAN
A:
[9-455]
--------
T
G
R
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
T
Q
T
W
V
H
R
Y
G
E
S
I
L
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
I
N
R
N
E
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
Q
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
-------------------------------------
10
PsiBlast_PDB
84.12
34%
-141
- C4 -
-
4ZWC
3
GTR3_HUMAN
A:
[32-488]
------------
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
G
N
A
P
P
S
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
C
K
---------------
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
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
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
------------------------
8
PsiBlast_PDB
84.06
34%
-134
- C4 -
-
4ZW9
4
GTR3_HUMAN
A:
[32-488]
------------
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
G
N
A
P
P
S
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
C
K
---------------
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
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
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
------------------------
9
PsiBlast_PDB
83.93
34%
-136
- C4 -
-
4ZWB
1
GTR3_HUMAN
A:
[32-488]
------------
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
G
N
A
P
P
S
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
C
K
---------------
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
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
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
------------------------
21
HHSearch
80.99
34%
-142
- C4 -
-
4ZW9
4
GTR3_HUMAN
A:
[25-461]
-----
T
Q
K
V
T
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
G
N
A
P
P
S
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
C
K
---------------
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
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
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
---------------------------------------------------
44
Fugue
69.28
23%
-86
* C4 *
-
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
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
P
E
---------------
L
GFTSINPDNTVPVYL
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
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
FHNG
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
----------
24
HHSearch
65.46
21%
-109
- C4 -
-
4GC0
4
XYLE_ECOLI
A:
[6-429]
--------
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
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
P
E
LGFTSINPDNTVPVY
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
---------------------------------------------------------------------------------
25
HHSearch
65.05
21%
-111
- C4 -
-
4GBY
4
XYLE_ECOLI
A:
[6-429]
--------
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
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
P
E
LGFTSINPDNTVPVY
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
SGD
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
---------------------------------------------------------------------------------
12
PsiBlast_PDB
60.08
23%
-116
- C4 -
-
4GBY
5
XYLE_ECOLI
A:
[66-474]
---------------------------------------------------------------------------
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
P
E
L
G
F
T
S
---------------
I
NPDNTVPVYL-----
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
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
NG
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
-----------------------------
Add PDB User Result:
(4 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....
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
M
R
A
L
R
R
L
IQG
R
I
L
L
L
T
I
C
AAGIGG
T
F
Q
FG
Y
N
L
S
IINAP
T
L
H
I
Q
E
FTNETWQARTGEPL
P
D
H
L
V
L
L
M
W
S
L
I
V
S
L
YP
L
G
G
L
F
G
A
L
LAG
P
L
A
I
T
LGRK
K
S
L
L
VN
N
I
F
V
V
S
A
A
I
L
F
GFSRKAGS
F
E
M
I
M
L
G
R
L
L
V
GVNAG
V
S
M
N
I
Q
P
M
YLGESA
P
K
E
L
R
G
A
V
A
M
S
S
A
I
F
T
A
L
G
I
V
M
G
Q
V
V
G
L
R
E
LLGGP
Q
A
W
P
L
L
L
A
S
C
LVPG
A
L
Q
L
ASLPLLPESP
R
Y
L
L
I
DCG
D
T
E
A
C
L
A
A
L
R
R
LRGSGD
L
A
G
E
L
E
E
L
E
E
E
R
A
A
C
QGCRAR
R
P
W
E
L
F
Q
H
R
A
L
R
R
Q
V
T
S
L
V
V
L
G
S
A
M
E
LCGND
S
V
Y
A
Y
A
S
S
V
F
R
KAGVPE
A
K
I
Q
Y
A
I
IGTG
S
C
E
L
L
T
A
V
V
S
C
V
V
I
E
R
VG
R
R
V
L
L
IG
G
Y
S
L
M
T
C
W
G
S
I
F
T
V
A
L
C
L
QSSF
P
W
T
L
Y
L
A
M
A
C
I
F
A
F
I
L
SFGIG
P
A
G
V
T
G
I
L
A
T
E
L
F
D
Q
MAR
P
A
A
C
M
V
C
G
A
L
M
W
I
M
L
I
L
V
GL
G
F
P
F
I
M
E
A
L
S
H
F
L
Y
V
P
F
L
G
V
C
V
C
G
A
I
Y
T
G
L
FLPETKG
K
T
F
Q
E
I
S
K
E
L
H
RLNFPRRAQGPTW
R
S
L
E
V
I
QSTEL
54
-
100%
-129
- C4 -
-
U054
-
A:
[5-476]
----
R
R
L
I
Q
G
R
I
L
L
L
T
I
C
A
A
G
I
G
G
T
F
Q
F
G
Y
N
L
S
I
I
N
A
P
T
L
H
I
Q
E
F
T
N
E
T
W
Q
A
R
-
G
E
P
L
P
D
H
L
V
L
L
M
W
S
L
I
V
S
L
Y
P
L
G
G
L
F
G
A
L
L
A
G
P
L
A
I
T
L
G
R
K
K
S
L
L
V
N
N
I
F
V
V
S
A
A
I
L
F
G
F
S
R
K
A
G
S
F
E
M
I
M
L
G
R
L
L
V
G
V
N
A
G
V
S
M
N
I
Q
P
M
Y
L
G
E
S
A
P
K
E
L
R
G
A
V
A
M
S
S
A
I
F
T
A
L
G
I
V
M
G
Q
V
V
G
L
R
E
L
L
G
G
P
Q
A
W
P
L
L
L
A
S
C
L
V
P
G
A
L
Q
L
A
S
L
P
L
L
P
E
S
P
R
Y
L
L
I
D
C
G
D
T
E
A
C
L
A
A
L
R
R
L
R
G
S
G
D
L
A
G
E
L
E
E
L
E
E
E
R
A
A
C
Q
G
C
R
A
R
R
P
W
E
L
F
Q
H
R
A
L
R
R
Q
V
T
S
L
V
V
L
G
S
A
M
E
L
C
G
N
D
S
V
Y
A
Y
A
S
S
V
F
R
K
A
G
V
P
--
K
I
Q
Y
A
I
I
G
T
G
S
C
E
L
L
T
A
V
V
S
C
V
V
I
E
R
V
G
R
R
V
L
L
I
G
G
Y
S
L
M
T
C
W
G
S
I
F
T
V
A
L
C
L
Q
S
S
F
P
W
T
L
Y
L
A
M
A
C
I
F
A
F
I
L
S
F
G
I
G
P
A
G
V
T
G
I
L
A
T
E
L
F
D
Q
M
A
R
P
A
A
C
M
V
C
G
A
L
M
W
I
M
L
I
L
V
G
L
G
F
P
F
I
M
E
A
L
S
H
F
L
Y
V
P
F
L
G
V
C
V
C
G
A
I
Y
T
G
L
F
L
P
E
T
K
G
K
T
F
Q
E
I
S
K
E
L
H
R
L
N
F
--------------------
55
-
100%
-129
- C4 -
-
U055
-
A:
[5-476]
----
R
R
L
I
Q
G
R
I
L
L
L
T
I
C
A
A
G
I
G
G
T
F
Q
F
G
Y
N
L
S
I
I
N
A
P
T
L
H
I
Q
E
F
T
N
E
T
W
Q
A
R
-
G
E
P
L
P
D
H
L
V
L
L
M
W
S
L
I
V
S
L
Y
P
L
G
G
L
F
G
A
L
L
A
G
P
L
A
I
T
L
G
R
K
K
S
L
L
V
N
N
I
F
V
V
S
A
A
I
L
F
G
F
S
R
K
A
G
S
F
E
M
I
M
L
G
R
L
L
V
G
V
N
A
G
V
S
M
N
I
Q
P
M
Y
L
G
E
S
A
P
K
E
L
R
G
A
V
A
M
S
S
A
I
F
T
A
L
G
I
V
M
G
Q
V
V
G
L
R
E
L
L
G
G
P
Q
A
W
P
L
L
L
A
S
C
L
V
P
G
A
L
Q
L
A
S
L
P
L
L
P
E
S
P
R
Y
L
L
I
D
C
G
D
T
E
A
C
L
A
A
L
R
R
L
R
G
S
G
D
L
A
G
E
L
E
E
L
E
E
E
R
A
A
C
Q
G
C
R
A
R
R
P
W
E
L
F
Q
H
R
A
L
R
R
Q
V
T
S
L
V
V
L
G
S
A
M
E
L
C
G
N
D
S
V
Y
A
Y
A
S
S
V
F
R
K
A
G
V
P
--
K
I
Q
Y
A
I
I
G
T
G
S
C
E
L
L
T
A
V
V
S
C
V
V
I
E
R
V
G
R
R
V
L
L
I
G
G
Y
S
L
M
T
C
W
G
S
I
F
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A
L
C
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A
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A
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A
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A
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A
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K
G
K
T
F
Q
E
I
S
K
E
L
H
R
L
N
F
--------------------
56
-
100%
-129
- C4 -
-
U056
-
A:
[5-476]
----
R
R
L
I
Q
G
R
I
L
L
L
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G
K
T
F
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E
I
S
K
E
L
H
R
L
N
F
--------------------
57
-
100%
-156
- C4 -
-
U057
-
A:
[11-459]
----------
R
I
L
L
L
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A
A
G
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A
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Y
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G
L
F
L
P
E
T
-------------------------------------