@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 : GTR5_HUMAN: (2018-03-06 )
MEQQDQSMKEGRLTLVLALATLIAAFGSSFQYGYNVAAVNSPALLMQQFYNETYYGRTGEFMEDFPLTLLWSVTVSMFPFGGFIGSLLVGPLVNKFGRKGALLFNNIFSIVPAILMGCSRVATSFELIIISRLLVGICAGVSSNVVPMYLGELAPKNLRGALGVVPQLFITVGILVAQIFGLRNLLANVDGWPILLGLTGVPAALQLLLLPFFPESPRYLLIQKKDEAAAKKALQTLRGWDSVDREVAEIRQEDEAEKAAGFISVLKLFRMRSLRWQLLSIIVLMGGQQLSGVNAIYYYADQIYLSAGVPEEHVQYVTAGTGAVNVVMTFCAVFVVELLGRRLLLLLGFSICLIACCVLTAALALQDTVSWMPYISIVCVISYVIGHALGPSPIPALLITEIFLQSSRPSAFMVGGSVHWLSNFTVGLIFPFIQEGLGPYSFIVFAVICLLTTIYIFLIVPETKAKTFIEINQIFTKMNKVSEVYPEKEELKELPPVTSEQ
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
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MEQ
Q
D
Q
S
MKEGR
L
T
L
V
L
A
L
A
T
L
I
A
A
FGSSFQY
G
Y
N
VAAVN
S
P
A
L
L
M
Q
Q
F
YNETYYGRTG
E
F
M
E
DFP
L
T
-
L
L
W
S
V
T
V
S
MFP
F
G
G
F
I
G
S
L
L
V
G
P
L
V
N
K
FGRK
G
A
L
L
F
N
N
I
F
S
I
V
P
A
I
L
M
G
---------------
C
S
R
---------------
V
A
T
S
F
E
L
I
-----------------
I
I
S
R
L
L
V
G
I
CAGVSSN
V
V
P
M
Y
L
G
E
LA
P
K
N
L
R
G
A
L
G
V
V
P
Q
L
F
I
T
V
G
I
L
V
A
Q
I
F
G
L
R
N
L
L
A--------N--------VD------G
W
P
I
L
L
GLTG
V
P
A
A
L
Q
L
L
L
LPFFPESP
R
Y
L
L
I
QKK
D
E
A
A
A
K
K
A
L
Q
T
L
RG
W
D
S
V
D
R
E
V
A
E
I
R
QE-
D
E
A
E
K
A
A
G
F
I
S
V
L
K
L
F
R
M
R
S
L
R
W
Q
L
L
S
I
I
V
L
MG-GQQLSG
V
N
A
I
Y
Y
Y
A
D
Q
I
Y
LSAGV
P
E
E
H
V
Q
Y
V
TAGT
G
A
V
N
V
V
M
T
F
C
A
V
F
V
V
E
L
L
G
R
R
L
L
L
L
L
G
F
S
I
C
L
I
A
C
C
V
L
-
T
A
A
L
A
L
Q
D
T
-VSW
M
P
Y
I
S
I
V
C
V
I
S
Y
V
I
GHALGPS
P
I
P
A
L
L
I
T
E
I
F
LQSSRP
S
A
F
M
VG
G
S
V
H
W
LSNF
T
V
G
L
I
F
P
F
------
I
Q
E------G-------L
G
P
-
Y
S
F
I
V
F
A
V
I
C
L
L
T
T
I
Y
I
F
L
I
VPETKA
K
T
F
I
E
I
N
Q
I
F
T
K
M
N
K
V
S
E
VYP
E
K
E
E
L
K
ELPPVTSEQ
7
PsiBlast_PDB
69.63
40%
-134
- C2 -
-
4ZW9
4
GTR3_HUMAN
A:
[23-487]
-------
M
G
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
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
--------------------------
8
PsiBlast_PDB
69.13
40%
-136
- C2 -
-
4ZWB
1
GTR3_HUMAN
A:
[25-487]
---------
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
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
--------------------------
9
PsiBlast_PDB
69.04
40%
-139
- C2 -
-
4ZWC
3
GTR3_HUMAN
A:
[25-487]
---------
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
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
--------------------------
5
PsiBlast_PDB
68.51
42%
-143
- C2 -
-
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
68.42
41%
-142
- C2 -
-
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
--------------------------------------
4
PsiBlast_PDB
68.17
42%
-142
- C2 -
-
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
--------------------------------------
3
PsiBlast_PDB
68.15
42%
-141
- C2 -
-
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
--------------------------------------
22
HHSearch
66.60
43%
-148
- C2 -
-
5EQG
1
GTR1_HUMAN
A:
[22-455]
---------------------------
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
--------------------------------------
23
HHSearch
62.42
40%
-98
- C2 -
-
4ZW9
4
GTR3_HUMAN
A:
[42-485]
---------------------------
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
----------------------------
45
Fugue
53.76
24%
-95
- 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
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
WPELGFTSINPDNTV
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
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
-------------------------
25
HHSearch
53.52
25%
-98
- C2 -
-
4GBY
5
XYLE_ECOLI
A:
[20-474]
---------------------------
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
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
------------------------------
26
HHSearch
53.21
25%
-96
- C2 -
-
4GC0
5
XYLE_ECOLI
A:
[20-474]
---------------------------
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
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
------------------------------
12
PsiBlast_PDB
49.55
25%
-105
- C2 -
-
4GBY
5
XYLE_ECOLI
A:
[67-479]
---------------------------------------------------------------------------------
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
NPDNTVPVYLAGY
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
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
-------------------------
14
PsiBlast_PDB
49.34
25%
-105
- C2 -
-
4GC0
5
XYLE_ECOLI
A:
[67-479]
---------------------------------------------------------------------------------
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
NPDNTVPVYLAGY
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
-------------------------
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
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MEQ
Q
D
Q
S
MKEGR
L
T
L
V
L
A
L
A
T
L
I
A
A
FGSSFQY
G
Y
N
VAAVN
S
P
A
L
L
M
Q
Q
F
YNETYYGRTG
E
F
M
E
DFP
L
T
L
L
W
S
V
T
V
S
MFP
F
G
G
F
I
G
S
L
L
V
G
P
L
V
N
K
FGRK
G
A
L
L
F
N
N
I
F
S
I
V
P
A
I
L
M
G
C
S
R
V
A
T
S
F
E
L
I
I
I
S
R
L
L
V
G
I
CAGVSSN
V
V
P
M
Y
L
G
E
LA
P
K
N
L
R
G
A
L
G
V
V
P
Q
L
F
I
T
V
G
I
L
V
A
Q
I
F
G
L
R
N
L
L
ANVDG
W
P
I
L
L
GLTG
V
P
A
A
L
Q
L
L
L
LPFFPESP
R
Y
L
L
I
QKK
D
E
A
A
A
K
K
A
L
Q
T
L
RG
W
D
S
V
D
R
E
V
A
E
I
R
QE
D
E
A
E
K
A
A
G
F
I
S
V
L
K
L
F
R
M
R
S
L
R
W
Q
L
L
S
I
I
V
L
MGGQQLSG
V
N
A
I
Y
Y
Y
A
D
Q
I
Y
LSAGV
P
E
E
H
V
Q
Y
V
TAGT
G
A
V
N
V
V
M
T
F
C
A
V
F
V
V
E
L
L
G
R
R
L
L
L
L
L
G
F
S
I
C
L
I
A
C
C
V
L
T
A
A
L
A
L
Q
D
T
VSW
M
P
Y
I
S
I
V
C
V
I
S
Y
V
I
GHALGPS
P
I
P
A
L
L
I
T
E
I
F
LQSSRP
S
A
F
M
VG
G
S
V
H
W
LSNF
T
V
G
L
I
F
P
F
I
Q
EGL
G
P
Y
S
F
I
V
F
A
V
I
C
L
L
T
T
I
Y
I
F
L
I
VPETKA
K
T
F
I
E
I
N
Q
I
F
T
K
M
N
K
V
S
E
VYP
E
K
E
E
L
K
ELPPVTSEQ
55
-
83%
-129
- C2 -
-
4YBQ
-
A:
[7-480]
-------
E
K
T
G
K
L
T
L
V
L
A
L
A
T
F
L
A
A
F
G
S
S
F
Q
Y
G
Y
N
V
A
A
V
----------------------
I
E
S
F
T
L
T
L
L
W
S
L
T
V
S
M
F
P
F
G
G
F
I
G
S
L
M
V
G
F
L
V
N
N
L
G
R
K
G
A
L
L
F
N
N
I
F
S
I
L
P
A
I
L
M
G
C
S
K
I
A
K
S
F
E
I
I
I
A
S
R
L
L
V
G
I
C
A
G
I
S
S
N
V
V
P
M
Y
L
G
E
L
A
P
K
N
L
R
G
A
L
G
V
V
P
Q
L
F
I
T
V
G
I
L
V
A
Q
L
F
G
L
R
S
V
L
A
S
E
E
G
W
P
I
L
L
G
L
T
G
V
P
A
G
L
Q
L
L
L
L
P
F
F
P
E
S
P
R
Y
L
L
I
Q
K
K
N
E
S
A
A
E
K
A
L
Q
T
L
R
G
W
K
D
V
D
M
E
M
E
E
I
R
K
E
D
E
A
E
K
A
A
G
F
I
S
V
W
K
L
F
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M
Q
S
L
R
W
Q
L
I
S
T
I
V
L
M
A
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A
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Y
Y
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A
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V
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V
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L
W
G
R
R
N
L
L
L
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L
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A
C
I
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L
T
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A
L
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G
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T
F
V
E
I
N
Q
I
F
A
K
K
N
K
V
--------------------
56
-
81%
-155
- C2 -
-
4YB9
-
D:
[19-462]
------------------
L
A
T
L
I
A
A
F
G
S
S
F
Q
Y
G
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N
V
A
A
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-------
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L
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Y
I
F
L
I
I
P
E
---------------------------------------
57
-
100%
-134
- C2 -
-
U057
1
A:
[8-481]
-------
M
K
E
G
R
L
T
L
V
L
A
L
A
T
L
I
A
A
F
G
S
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Y
G
Y
N
V
A
A
V
----------------------
M
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A
K
T
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I
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I
N
Q
I
F
T
K
M
N
K
V
--------------------