@TOME V2.3
(Mar 2018)
Ref.
-
-
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 : GTR12_HUMAN: (2018-03-06 )
MVPVENTEGPSLLNQKGTAVETEGSGSRHPPWARGCGMFTFLSSVTAAVSGLLVGYELGIISGALLQIKTLLALSCHEQEMVVSSLVIGALLASLTGGVLIDRYGRRTAIILSSCLLGLGSLVLILSLSYTVLIVGRIAIGVSISLSSIATCVYIAEIAPQHRRGLLVSLNELMIVIGILSAYISNYAFANVFHGWKYMFGLVIPLGVLQAIAMYFLPPSPRFLVMKGQEGAASKVLGRLRALSDTTEELTVIKSSLKDEYQYSFWDLFRSKDNMRTRIMIGLTLVFFVQITGQPNILFYASTVLKSVGFQSNEAASLASTGVGVVKVISTIPATLLVDHVGSKTFLCIGSSVMAASLVTMGIVNLNIHMNFTHICRSHNSINQSLDESVIYGPGNLSTNNNTLRDHFKGISSHSRSSLMPLRNDVDKRGETTSASLLNAGLSHTEYQIVTDPGDVPAFLKWLSLASLLVYVAAFSIGLGPMPWLVLSEIFPGGIRGRAMALTSSMNWGINLLISLTFLTVTDLIGLPWVCFIYTIMSLASLLFVVMFIPETKGCSLEQISMELAKVNYVKNNICFMSHHQEELVPKQPQKRKPQEQLLECNKLCGRGQSRQLSPET
Atome Classification :
(11 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.....
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MVPVENTEGPSLLNQKG
T
A
V
ETEGSGSRHPPWARG
C
G
M
F
T
F
L
S
S
V
T
A
A
V
S
G
L
L
V
G
Y
E
L
G
I
IS
G
A
L
L
Q
I
K
T
L
L
--------
A
--------L--------------S--------------C
H
E
Q
------
E
--------
M
V
V
S
S
L
--------
V
I
G
A
L
L
A
S
LTG
G
V
L
I
DRYGR
R
T
A
I
I
L
-------
S
S
C
L
L
---
G
L
G
S
---------------
L
V
L
------------------
I
------------------
L
S---L
S
Y
T
V
L
I
V
G
R
I
A
I
G
V
S
I
S
L
S
S
I
A
T
C
V
Y
I
A
E
IA
P
Q
H
RR
G
L
L
V
S
L
N
E
L
M
I
V
I
G
I
L
S
A
Y
I
S
N
Y
A
F
A
--
N
-------
V
-------
F
H
G
W
K
Y
M
F
G
L
V
I
P
L
G
V
L
Q
A
I
A
M
Y
FLPPSP
R
F
L
V
M
-KG-QE-G
A
A
S
K
V
L
G
R
L
R
A
LSD
T
T
E
E
L
---
T
---
V
I
K
---
S
S
L
K
D
E
Y
Q
Y
S
F
W
D
L
F
RSKDNM
R
T
R
I
M
I
G
-
L
T
L
V
F
F
V
Q
ITGQP
N
I
L
F
Y
A
S
T
V
L
K
S--VGFQSN
E
A
A
S
L
A
STG
V
G
V
V
K
V
I
S
TI
P
A
T
L
L
V
D
HVGS
K
T
F
L
C
IG
S
S
V
M
A
--
A
S
L
V
T
M
G
I
V
N
L
N
I
H
M
N
F
T
H
I
CRSHN
S
I
N
Q
SLDES
V
I
YGPGNLSTNN
N
T
L
R
D
H
F
K
G
I
SSHSRSSLM
P
L
R
N
D
V
DKRGET
T
S
A
S
L
L
N
AGLSHT
E
Y
Q
I
V
TDPG
D
V
P
A
F
L
K
W
L
S
L
A
S
L
L
V
Y
V
A
A
F
SIGLGP
M
P
W
L
V
L
S
E
IFPGGIRG
R
A
M
A
L
TSSMNW
G
I
N
L
L
I
S
L
T
F
L
T
------
V
T
D
LIG
L
P
W
V
C
F
I
Y
T
I
M
S
L
A
S
L
L
F
V
V
M
F
IPETKGC
S
L
E
Q
I
S
M
E
L
A
K
V
N
Y
VKNN
I
C
F
MSH
H
Q
E
ELVPKQPQKR
K
P
Q
E
Q
L
L
E
C
N
K
L
CGRGQSRQLSPET
21
Fugue
79.40
31%
-127
- C5 -
-
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
WPELGFTSINPDNTVPV
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
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
----------------------------------------------------
33
HHSearch
78.55
32%
-128
- C5 -
-
4GBY
5
XYLE_ECOLI
A:
[14-468]
-------------------------------------------
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
---------------------------------------------------------------
34
HHSearch
78.53
32%
-130
- C5 -
-
4GC0
5
XYLE_ECOLI
A:
[14-468]
-------------------------------------------
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
72.33
28%
-106
- C5 -
-
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
MG
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
-----------------------------------------------------------------
31
HHSearch
71.98
28%
-103
- C5 -
-
4ZW9
4
GTR3_HUMAN
A:
[29-479]
------------------------------------
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
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
-------------------------------------------------------------
2
PsiBlast_PDB
57.68
29%
-117
- C5 -
-
4GBY
4
XYLE_ECOLI
A:
[9-360]
--------------------------------------
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
WPELGFTSINPDNT
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
57.65
29%
-115
- C5 -
-
4GC0
4
XYLE_ECOLI
A:
[9-360]
--------------------------------------
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
WPELGFTSINPDNT
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
57.28
29%
-114
- C5 -
-
4GBZ
4
XYLE_ECOLI
A:
[9-360]
--------------------------------------
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
PELGFTSINPDNT
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
53.06
27%
-83
- C5 -
-
4ZWB
1
GTR3_HUMAN
A:
[39-388]
----------------------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
53.05
27%
-83
- C5 -
-
4ZW9
4
GTR3_HUMAN
A:
[39-388]
----------------------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
52.83
27%
-84
- C5 -
-
4ZWC
3
GTR3_HUMAN
A:
[39-388]
----------------------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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.....
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MVPVENTEGPSLLNQKG
T
A
V
ETEGSGSRHPPWARG
C
G
M
F
T
F
L
S
S
V
T
A
A
V
S
G
L
L
V
G
Y
E
L
G
I
IS
G
A
L
L
Q
I
K
T
L
L
A
LSC
H
E
Q
E
M
V
V
S
S
L
V
I
G
A
L
L
A
S
LTG
G
V
L
I
DRYGR
R
T
A
I
I
L
S
S
C
L
L
G
L
G
S
L
V
L
I
L
SL
S
Y
T
V
L
I
V
G
R
I
A
I
G
V
S
I
S
L
S
S
I
A
T
C
V
Y
I
A
E
IA
P
Q
H
RR
G
L
L
V
S
L
N
E
L
M
I
V
I
G
I
L
S
A
Y
I
S
N
Y
A
F
A
N
V
F
H
G
W
K
Y
M
F
G
L
V
I
P
L
G
V
L
Q
A
I
A
M
Y
FLPPSP
R
F
L
V
M
KGQEG
A
A
S
K
V
L
G
R
L
R
A
LSD
T
T
E
E
L
T
V
I
K
S
S
L
K
D
E
Y
Q
Y
S
F
W
D
L
F
RSKDNM
R
T
R
I
M
I
G
L
T
L
V
F
F
V
Q
ITGQP
N
I
L
F
Y
A
S
T
V
L
K
SVGFQSN
E
A
A
S
L
A
STG
V
G
V
V
K
V
I
S
TI
P
A
T
L
L
V
D
HVGS
K
T
F
L
C
IG
S
S
V
M
A
A
S
L
V
T
M
G
I
V
N
L
N
I
H
M
N
F
T
H
I
CRSHN
S
I
N
Q
SLDES
V
I
YGPGNLSTNN
N
T
L
R
D
H
F
K
G
I
SSHSRSSLM
P
L
R
N
D
V
DKRGET
T
S
A
S
L
L
N
AGLSHT
E
Y
Q
I
V
TDPG
D
V
P
A
F
L
K
W
L
S
L
A
S
L
L
V
Y
V
A
A
F
SIGLGP
M
P
W
L
V
L
S
E
IFPGGIRG
R
A
M
A
L
TSSMNW
G
I
N
L
L
I
S
L
T
F
L
T
V
T
D
LIG
L
P
W
V
C
F
I
Y
T
I
M
S
L
A
S
L
L
F
V
V
M
F
IPETKGC
S
L
E
Q
I
S
M
E
L
A
K
V
N
Y
VKNN
I
C
F
MSH
H
Q
E
ELVPKQPQKR
K
P
Q
E
Q
L
L
E
C
N
K
L
CGRGQSRQLSPET
55
-
100%
-144
- C5 -
-
U055
-
A:
[31-569]
------------------------------
P
W
A
R
G
C
G
M
F
T
F
L
S
S
V
T
A
A
V
S
G
L
L
V
G
Y
E
L
G
I
I
S
G
A
L
L
Q
I
K
T
L
L
A
L
S
C
H
E
Q
E
M
V
V
S
S
L
V
I
G
A
L
L
A
S
L
T
G
G
V
L
I
D
R
Y
G
R
R
T
A
I
I
L
S
S
C
L
L
G
L
G
S
L
V
L
I
L
S
L
S
Y
T
V
L
I
V
G
R
I
A
I
G
V
S
I
S
L
S
S
I
A
T
C
V
Y
I
A
E
I
A
P
Q
H
R
R
G
L
L
V
S
L
N
E
L
M
I
V
I
G
I
L
S
A
Y
I
S
N
Y
A
F
A
N
V
F
H
G
W
K
Y
M
F
G
L
V
I
P
L
G
V
L
Q
A
I
A
M
Y
F
L
P
P
S
P
R
F
L
V
M
K
G
Q
E
G
A
A
S
K
V
L
G
R
L
R
A
L
S
D
T
T
E
E
L
T
V
I
K
S
S
L
K
D
E
Y
Q
Y
S
F
W
D
L
F
R
S
K
-
N
M
R
T
R
I
M
I
G
L
T
L
V
F
F
V
Q
I
T
G
Q
P
N
I
L
F
Y
A
S
T
V
L
K
S
V
G
F
Q
---
A
A
S
L
A
S
T
G
V
G
V
V
K
V
I
S
T
I
P
A
T
L
L
V
D
H
V
G
S
K
T
F
L
C
I
G
S
S
V
M
A
A
S
L
V
T
M
G
I
V
N
L
N
I
H
M
--------------------------------------------------------------------------------------
P
A
F
L
K
W
L
S
L
A
S
L
L
V
Y
V
A
A
F
S
I
G
L
G
P
M
P
W
L
V
L
S
E
I
F
P
G
G
I
R
G
R
A
M
A
L
T
S
S
M
N
W
G
I
N
L
L
I
S
L
T
F
L
T
V
T
D
L
I
G
-
P
W
V
C
F
I
Y
T
I
M
S
L
A
S
L
L
F
V
V
M
F
I
P
E
T
K
G
C
S
L
E
Q
I
S
M
E
L
A
K
V
N
Y
------------------------------------------------
56
-
100%
-160
- C5 -
-
U056
-
A:
[37-552]
------------------------------------
G
M
F
T
F
L
S
S
V
T
A
A
V
S
G
L
L
V
G
Y
E
L
G
I
I
S
G
A
L
L
Q
I
K
T
L
L
A
L
S
C
H
E
Q
E
M
V
V
S
S
L
V
I
G
A
L
L
A
S
L
T
G
G
V
L
I
D
R
Y
G
R
R
T
A
I
I
L
S
S
C
L
L
G
L
G
S
L
V
L
I
L
S
L
S
Y
T
V
L
I
V
G
R
I
A
I
G
V
S
I
S
L
S
S
I
A
T
C
V
Y
I
A
E
I
A
P
Q
H
R
R
G
L
L
V
S
L
N
E
L
M
I
V
I
G
I
L
S
A
Y
I
S
N
Y
A
F
A
N
V
F
H
G
W
K
Y
M
F
G
L
V
I
P
L
G
V
L
Q
A
I
A
M
Y
F
L
P
P
S
P
R
F
L
V
M
K
G
Q
E
G
A
A
S
K
V
L
G
R
L
R
A
L
S
D
T
T
E
E
L
T
V
I
K
S
S
L
K
D
E
Y
Q
Y
S
F
W
D
L
F
R
S
K
-
N
M
R
T
R
I
M
I
G
L
T
L
V
F
F
V
Q
I
T
G
Q
P
N
I
L
F
Y
A
S
T
V
L
K
S
V
G
F
Q
---
A
A
S
L
A
S
T
G
V
G
V
V
K
V
I
S
T
I
P
A
T
L
L
V
D
H
V
G
S
K
T
F
L
C
I
G
S
S
V
M
A
A
S
L
V
T
M
G
I
V
N
L
N
I
H
M
--------------------------------------------------------------------------------------
P
A
F
L
K
W
L
S
L
A
S
L
L
V
Y
V
A
A
F
S
I
G
L
G
P
M
P
W
L
V
L
S
E
I
F
P
G
G
I
R
G
R
A
M
A
L
T
S
S
M
N
W
G
I
N
L
L
I
S
L
T
F
L
T
V
T
D
L
I
G
-
P
W
V
C
F
I
Y
T
I
M
S
L
A
S
L
L
F
V
V
M
F
I
P
E
T
-----------------------------------------------------------------