@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 : MYCT_HUMAN: (2018-03-07 )
MSRKASENVEYTLRSLSSLMGERRRKQPEPDAASAAGECSLLAAAESSTSLQSAGAGGGGVGDLERAARRQFQQDETPAFVYVVAVFSALGGFLFGYDTGVVSGAMLLLKRQLSLDALWQELLVSSTVGAAAVSALAGGALNGVFGRRAAILLASALFTAGSAVLAAANNKETLLAGRLVVGLGIGIASMTVPVYIAEVSPPNLRGRLVTINTLFITGGQFFASVVDGAFSYLQKDGWRYMLGLAAVPAVIQFFGFLFLPESPRWLIQKGQTQKARRILSQMRGNQTIDEEYDSIKNNIEEEEKEVGSAGPVICRMLSYPPTRRALIVGCGLQMFQQLSGINTIMYYSATILQMSGVEDDRLAIWLASVTAFTNFIFTLVGVWLVEKVGRRKLTFGSLAGTTVALIILALGFVLSAQVSPRITFKPIAPSGQNATCTRYSYCNECMLDPDCGFCYKMNKSTVIDSSCVPVNKASTNEAAWGRCENETKFKTEDIFWAYNFCPTPYSWTALLGLILYLVFFAPGMGPMPWTVNSEIYPLWARSTGNACSSGINWIFNVLVSLTFLHTAEYLTYYGAFFLYAGFAAVGLLFIYGCLPETKGKKLEEIESLFDNRLCTCGTSDSDEGRYIEYIRVKGSNYHLSDNDASDVEENTREESDIFFERENTES
Atome Classification :
(14 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.......590.......600.......610.......620.......630.......640.......650.......660....
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MSRKASE
N
V
E
Y
T
L
R
S
L
S
S
L
M
G
E
R
RRKQPEPDAASAAGE
C
S
L
L
A
AAESSTSLQSAGAGGGG
V
G
D
L
E
R
A
A
R
R
Q
F
QQDET
P
A
F
V
Y
V
V
A
V
F
S
A
L
G
G
F
L
F
GYD
T
G
V
V
S
G
A
M
------
L
L
L
K
R
---------------QL--------
S
--------
L
--------------
D
--------------
A
L
W
Q
E
L
L
V
SST
V
G
A
A
A
V
S
A
L
AGG
A
L
N
G
V
----
F
G
R
R
A
A
I
L
L
A
S
A
L
F
---TA
G
S
A
-------
V
L
A
------------------A----A---NNK
E
T
L
L
A
G
--------
R
L
V
V
G
L
GI
G
I
A
S
M
T
V
P
V
Y
I
A
EVSPPNLR
G
R
L
V
T
I
N
T
L
F
IT
G
G
Q
F
F
A
S
V
V
D
------
G
A
F
------
S
Y
L
------QKDG
W
R
Y
M
L
G
L
A
A
V
P
A
V
I
Q
F
F
G
F
L
FLPES
P
R
W
-
L
I
QKG-
Q
T
-
Q
K
A
R
R
I
L
S
Q
MRGNQ
T
I
D
E
E
Y
D
S
I
K
N
N
I
E
E
E
E
K
EVGSA
G
P
V
I
C
R
MLSYPPTR
R
A
L
I
V
G
C
G
L
Q
M
F
Q
Q
LSGI
N
T
I
M
Y
Y
S
A
T
I
L
Q
MSGVEDD
R
L
A
I
W
L
A
S
V
T
A
F
T
N
F
I
F
T
L
V
G
V
W
L
V
E
K
VGRRKLTFGSL
A
G
T
T
V
A
L
I
I
L
A
L
G
F
V
L
SAQVSP
R
I
T
F
K
PIAPSGQNA
T
C
T
R
Y
S
Y
C
N
ECMLDPDC
G
F
C
Y
KMNKSTVIDSSCVPVNKASTNEAAWGRCENETKFKTE
D
I
F
W
A
Y
NFCPTPY
S
W
T
A
L
L
G
L
I
L
Y
L
V
F
FAPGMGPM
P
W
T
VNS
E
I
Y
P
L
W
ARSTGN
A
C
S
S
G
I
N
W
I
F
N
V
L
V
S
L
T
F
L
H
------
T
A
E
Y
L
T
Y
Y
G
A
F
F
L
Y
A
G
F
A
A
V
G
L
L
F
I
Y
GCLPETKG
K
K
L
E
E
I
E
S
L
F
DN
R
L
CTCGTSDSDEG
R
Y
I
E
Y
I
R
VKGSNYHLSDND
A
S
D
V
E
E
NTREES
D
I
F
F
ERENTES
21
Fugue
82.13
30%
-105
- C3 -
-
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
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
E
--------------------------------------------------------
34
HHSearch
81.46
30%
-113
- C3 -
-
4GC0
5
XYLE_ECOLI
A:
[7-468]
-----------------------------------------------------------------------------
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
APQNLS
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
-------------------------------------------------------------------
35
HHSearch
81.11
30%
-113
- C3 -
-
4GBY
5
XYLE_ECOLI
A:
[7-468]
-----------------------------------------------------------------------------
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
APQNLS
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
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M
T
V
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K
F
G
R
K
P
L
Q
I
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G
A
L
G
M
A
I
G
M
F
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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
-------------------------------------------------------------------
33
HHSearch
80.63
27%
-96
- C3 -
-
5EQG
1
GTR1_HUMAN
A:
[10-455]
------------------------------------------------------------------------------
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
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
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
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A
L
A
L
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E
Q
L
------------------------------------------------------------------------------------
P
W
M
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Y
L
S
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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
---------------------------------------------------------------------
31
HHSearch
80.19
29%
-92
- C3 -
-
4ZW9
4
GTR3_HUMAN
A:
[26-477]
--------------------------------------------------------------------------
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
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
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
-------------------------------------------------------------------
7
PsiBlast_PDB
67.43
32%
-60
- C3 -
-
4ZW9
4
GTR3_HUMAN
A:
[26-363]
-------------------------------------------------------------------------
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
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
66.59
32%
-61
- C3 -
-
4ZWB
1
GTR3_HUMAN
A:
[26-363]
-------------------------------------------------------------------------
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
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
65.57
32%
-62
- C3 -
-
4ZWC
3
GTR3_HUMAN
A:
[26-363]
-------------------------------------------------------------------------
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
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
63.98
29%
-54
- C3 -
-
5EQI
1
GTR1_HUMAN
A:
[19-361]
---------------------------------------------------------------------------------------
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
FSKL
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
63.91
29%
-54
- C3 -
-
4PYP
1
GTR1_HUMAN
A:
[19-361]
---------------------------------------------------------------------------------------
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
YG
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
SKL
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
63.65
29%
-47
- C3 -
-
5EQH
1
GTR1_HUMAN
A:
[19-361]
---------------------------------------------------------------------------------------
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
KL
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
63.42
29%
-49
- C3 -
-
5EQG
1
GTR1_HUMAN
A:
[19-361]
---------------------------------------------------------------------------------------
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
KL
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
62.68
30%
-83
- C3 -
-
4GBZ
4
XYLE_ECOLI
A:
[8-367]
------------------------------------------------------------------------------
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
PELGFT
S
I
N
------------------
P
----
D
---
N
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
61.65
30%
-83
- C3 -
-
4GC0
4
XYLE_ECOLI
A:
[8-367]
------------------------------------------------------------------------------
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
WPELGFT
S
I
N
------------------
P
----
D
---
N
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Add PDB User Result:
(2 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.......590.......600.......610.......620.......630.......640.......650.......660....
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MSRKASE
N
V
E
Y
T
L
R
S
L
S
S
L
M
G
E
R
RRKQPEPDAASAAGE
C
S
L
L
A
AAESSTSLQSAGAGGGG
V
G
D
L
E
R
A
A
R
R
Q
F
QQDET
P
A
F
V
Y
V
V
A
V
F
S
A
L
G
G
F
L
F
GYD
T
G
V
V
S
G
A
M
L
L
L
K
R
QL
S
L
D
A
L
W
Q
E
L
L
V
SST
V
G
A
A
A
V
S
A
L
AGG
A
L
N
G
V
F
G
R
R
A
A
I
L
L
A
S
A
L
F
TA
G
S
A
V
L
A
AANNK
E
T
L
L
A
G
R
L
V
V
G
L
GI
G
I
A
S
M
T
V
P
V
Y
I
A
EVSPPNLR
G
R
L
V
T
I
N
T
L
F
IT
G
G
Q
F
F
A
S
V
V
D
G
A
F
S
Y
L
QKDG
W
R
Y
M
L
G
L
A
A
V
P
A
V
I
Q
F
F
G
F
L
FLPES
P
R
W
L
I
QKG
Q
T
Q
K
A
R
R
I
L
S
Q
MRGNQ
T
I
D
E
E
Y
D
S
I
K
N
N
I
E
E
E
E
K
EVGSA
G
P
V
I
C
R
MLSYPPTR
R
A
L
I
V
G
C
G
L
Q
M
F
Q
Q
LSGI
N
T
I
M
Y
Y
S
A
T
I
L
Q
MSGVEDD
R
L
A
I
W
L
A
S
V
T
A
F
T
N
F
I
F
T
L
V
G
V
W
L
V
E
K
VGRRKLTFGSL
A
G
T
T
V
A
L
I
I
L
A
L
G
F
V
L
SAQVSP
R
I
T
F
K
PIAPSGQNA
T
C
T
R
Y
S
Y
C
N
ECMLDPDC
G
F
C
Y
KMNKSTVIDSSCVPVNKASTNEAAWGRCENETKFKTE
D
I
F
W
A
Y
NFCPTPY
S
W
T
A
L
L
G
L
I
L
Y
L
V
F
FAPGMGPM
P
W
T
VNS
E
I
Y
P
L
W
ARSTGN
A
C
S
S
G
I
N
W
I
F
N
V
L
V
S
L
T
F
L
H
T
A
E
Y
L
T
Y
Y
G
A
F
F
L
Y
A
G
F
A
A
V
G
L
L
F
I
Y
GCLPETKG
K
K
L
E
E
I
E
S
L
F
DN
R
L
CTCGTSDSDEG
R
Y
I
E
Y
I
R
VKGSNYHLSDND
A
S
D
V
E
E
NTREES
D
I
F
F
ERENTES
55
-
99%
-109
- C3 -
-
U055
-
A:
[72-614]
-----------------------------------------------------------------------
F
Q
Q
D
E
T
P
A
F
V
Y
V
V
A
V
F
S
A
L
G
G
F
L
F
G
Y
D
T
G
V
V
S
G
A
M
L
L
L
K
R
Q
L
S
L
D
A
L
W
Q
E
L
L
V
S
S
T
V
G
A
A
A
V
S
A
L
A
G
G
A
L
N
G
V
F
G
R
R
A
A
I
L
L
A
S
A
L
F
T
A
G
S
A
V
L
A
A
A
N
N
K
E
T
L
L
A
G
R
L
V
V
G
L
G
I
G
I
A
S
M
T
V
P
V
Y
I
A
E
V
S
P
P
N
L
R
G
R
L
V
T
I
N
T
L
F
I
T
G
G
Q
F
F
A
S
V
V
D
G
A
F
S
Y
L
Q
K
D
G
W
R
Y
M
L
G
L
A
A
V
P
A
V
I
Q
F
F
G
F
L
F
L
P
E
S
P
R
W
L
I
Q
K
G
Q
T
Q
K
A
R
R
I
L
S
Q
M
R
G
N
Q
T
I
D
E
E
Y
D
S
I
K
N
N
I
E
E
E
E
K
E
A
G
---
P
V
I
C
R
M
L
S
Y
P
P
T
R
R
A
L
I
V
G
C
G
L
Q
M
F
Q
Q
L
S
G
I
N
T
I
M
Y
Y
S
A
T
I
L
Q
M
S
G
V
E
---
L
A
I
W
L
A
S
V
T
A
F
T
N
F
I
F
T
L
V
G
V
W
L
V
E
K
V
G
R
R
K
L
T
F
G
S
L
A
G
T
T
V
A
L
I
I
L
A
L
G
F
V
L
S
A
Q
------------------------------------------------------------------------------------
P
T
P
Y
S
W
T
A
L
L
G
L
I
L
Y
L
V
F
F
A
P
G
M
G
P
M
P
W
T
V
N
S
E
I
Y
P
L
W
A
R
S
T
G
N
A
C
S
S
G
I
N
W
I
F
N
V
L
V
S
L
T
F
L
H
T
A
E
Y
L
T
-
Y
G
A
F
F
L
Y
A
G
F
A
A
V
G
L
L
F
I
Y
G
C
L
P
E
T
K
G
K
K
L
E
E
I
E
S
L
F
D
N
R
L
C
----------------------------------------------------
56
-
99%
-135
- C3 -
-
U056
-
A:
[78-597]
-----------------------------------------------------------------------------
P
A
F
V
Y
V
V
A
V
F
S
A
L
G
G
F
L
F
G
Y
D
T
G
V
V
S
G
A
M
L
L
L
K
R
Q
L
S
L
D
A
L
W
Q
E
L
L
V
S
S
T
V
G
A
A
A
V
S
A
L
A
G
G
A
L
N
G
V
F
G
R
R
A
A
I
L
L
A
S
A
L
F
T
A
G
S
A
V
L
A
A
A
N
N
K
E
T
L
L
A
G
R
L
V
V
G
L
G
I
G
I
A
S
M
T
V
P
V
Y
I
A
E
V
S
P
P
N
L
R
G
R
L
V
T
I
N
T
L
F
I
T
G
G
Q
F
F
A
S
V
V
D
G
A
F
S
Y
L
Q
K
D
G
W
R
Y
M
L
G
L
A
A
V
P
A
V
I
Q
F
F
G
F
L
F
L
P
E
S
P
R
W
L
I
Q
K
G
Q
T
Q
K
A
R
R
I
L
S
Q
M
R
G
N
Q
T
I
D
E
E
Y
D
S
I
K
N
N
I
E
E
E
E
K
E
A
G
---
P
V
I
C
R
M
L
S
Y
P
P
T
R
R
A
L
I
V
G
C
G
L
Q
M
F
Q
Q
L
S
G
I
N
T
I
M
Y
Y
S
A
T
I
L
Q
M
S
G
V
E
---
L
A
I
W
L
A
S
V
T
A
F
T
N
F
I
F
T
L
V
G
V
W
L
V
E
K
V
G
R
R
K
L
T
F
G
S
L
A
G
T
T
V
A
L
I
I
L
A
L
G
F
V
L
S
A
Q
------------------------------------------------------------------------------------
P
T
P
Y
S
W
T
A
L
L
G
L
I
L
Y
L
V
F
F
A
P
G
M
G
P
M
P
W
T
V
N
S
E
I
Y
P
L
W
A
R
S
T
G
N
A
C
S
S
G
I
N
W
I
F
N
V
L
V
S
L
T
F
L
H
T
A
E
Y
L
T
-
Y
G
A
F
F
L
Y
A
G
F
A
A
V
G
L
L
F
I
Y
G
C
L
P
E
T
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