@TOME V2.3
(Nov 2016)
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 : OR1J2_HUMAN: (2016-01-12 )
MSPENQSSVSEFLLLGLPIRPEQQAVFFTLFLGMYLTTVLGNLLIMLLIQLDSHLHTPMYFFLSHLALTDISFSSVTVPKMLMDMRTKYKSILYEECISQMYFFIFFTDLDSFLITSMAYDRYVAICHPLHYTVIMREELCVFLVAVSWILSCASSLSHTLLLTRLSFCAANTIPHVFCDLAALLKLSCSDIFLNELVMFTVGVVVITLPFMCILVSYGYIGATILRVPSTKGIHKALSTCGSHLSVVSLYYGSIFGQYLFPTVSSSIDKDVIVALMYTVVTPMLNPFIYSLRNRDMKEALGKLFSRATFFSW
Atome Classification :
(20 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.----------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------------MSPE
N
Q
S
S
V
S
E
F
L
LLGLPI-RPEQ
Q
A
V
F
F
T
L
F
L
G
M
Y
L
T
T
V
L
G
---
N
L
L
I
M
L
L
I
Q
L
DSHL
H
T
P
M
Y
F
F
L
S
H
L
A
LTDISFSSV
T
-
V
P
K
M
L
M
D
M
R
-
T
K
Y
K
S
I
L
Y
E
E
C
I
S
Q
M
Y
F
F
I
F
F
T
D
L
D
S
F
L
I
T
S
-------
M
AYD----
R
Y
V
A
I
CHP
L
H
Y
T
V
I
---
M
R
E
E
L
--
C
V
F
L
V
A
V
S
W
I
L
S
C
A
S
S
L
S
H
T
L
L
------
L
T
R
-----
L
S
F
C
A
ANT
I
P
H
V
F
C
D
L
A
A
L
L
K
L
S
C
-------
S
-
D
I
-
F
------
L
N
-
E
L
V
M
F
T
V
G
V
V
V
I
T
L
P
F
M
C
I
L
V
S-------------------------YGY-I
G
A
T
I
---
L
RVPST-----------
K
--------------------
G
----
I
-----
H
K
A
L
S
T
C
---G
S
H
L
S
V
V
S
L
Y
Y
G
S
I
F
G
Q
Y
L
F
P
TV-S--------S---------------S---I-------
D
-------
K
D
V
I
V
A
L
M
Y
-
T
V
V
T
P
M
L
N
P
F
I
Y
S
L
RNR
D
M
K
--
E
A
L
-
G
K
L
F
---------------
S
RATFFSW----------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
88.21
22%
-153
- C1 -
4LDE
3
A:
[194-460]
------------------------------------------------
L
A
I
V
F
G
---
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
-
T
K
T
W
T
F
-------
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
----
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
--
A
R
V
I
I
L
M
V
W
I
V
S
G
L
T
S
----
F
L
------
P
I
Q
-----
M
H
W
Y
R
A
T
H
Q
E
A
I
N
C
----
Y
A
E
E
T
C
-------
C
-
D
F
-
F
------
T
N
-
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
V
-------------------------
Y
S
R
-
V
F
Q
E
A
---
K
R
Q
L
Q
--------------------------------------
K
FAL
K
E
H
K
A
L
K
T
L
---
G
I
I
M
G
T
F
T
L
C
W
L
P
F
F
I
V
N
I
V
H
V
I
-
Q
--------
D
---------------
N
L--
I
-------
R
-------
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
P
L
I
Y
C
-
R
S
P
D
F
R
--
I
A
F
-
Q
E
L
L
---------------
C
L
----------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
86.75
22%
-154
- C1 -
4LDL
3
ADRB2_HUMAN
A:
[194-460]
------------------------------------------------
L
A
I
V
F
G
---
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
-
T
K
T
W
T
F
-------
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
----
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
--
A
R
V
I
I
L
M
V
W
I
V
S
G
L
T
S
----
F
L
------
P
I
Q
-----
M
H
W
Y
R
A
T
H
Q
E
A
I
N
C
----
Y
A
E
E
T
C
-------
C
-
D
F
-
F
------
T
N
-
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
V
-------------------------
Y
S
R
-
V
F
Q
E
A
---
K
R
Q
L
Q
--------------------------------------
K
FA
L
K
E
H
K
A
L
K
T
L
---
G
I
I
M
G
T
F
T
L
C
W
L
P
F
F
I
V
N
I
V
H
V
I
-
Q
--------
D
---------------
N
L--
I
-------
R
-------
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
P
L
I
Y
C
-
R
S
P
D
F
R
--
I
A
F
-
Q
E
L
L
---------------
C
L
----------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
86.58
18%
-115
- C1 -
1F88
8
OPSD_BOVIN
A:
[1-348]
--MN
G
T
E
G
PNFY
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
-
Y
L
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
-
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
-------
L
A
I
E
----
R
Y
V
V
V
C
K
P
M
S
-
N
F
R
---
F
G
E
N
H
--
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
G
------
W
S
R
------------
Y
I
P
E
-------
G
M
Q
C
S
C
-------
G
I
D
Y
-
Y
TPHEET
N
N
-
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
-------------------------
Y
G
Q
-
L
V
F
T
V
---
K
E
A
A
A
S
-----------
A
--------------------
T
----
T
-----
Q
K
A
E
K
E
V
---
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
F
-
Y
--------
I
---------------
F
---
T
-------
H
QGSDFGP
I
F
M
T
I
P
A
F
F
-
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
--
N
C
M
-
V
T
T
L
---------------
C
C
G
K
N
P
S
T
TVSKTETS
Q
V
A
P
A---------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
85.92
22%
-149
- C1 -
4GBR
1
ADRB2_HUMAN
A:
[17-283]
------------------------------------------------
L
A
I
V
F
G
---
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
-
T
K
T
W
T
F
-------
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
----
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
--
A
R
V
I
I
L
M
V
W
I
V
S
G
L
T
S
----
F
L
------
P
I
Q
-----
M
H
W
Y
R
A
T
H
Q
E
A
I
N
C
----
Y
A
E
E
T
C
-------
C
-
D
F
-
F
------
T
N
-
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
V
-------------------------
Y
S
R
-
V
F
Q
E
A
---
K
R
Q
L
Q
K
-----------
I
--------------------
D
----
K
FC
L
K
E
H
K
A
L
K
T
L
---
G
I
I
M
G
T
F
T
L
C
W
L
P
F
F
I
V
N
I
V
H
V
I
-
Q
--------
D
---------------
N
L--
I
-------
R
-------
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
P
L
I
Y
C
-
R
S
P
D
F
R
--
I
A
F
-
Q
E
L
L
---------------
C
L
----------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
81.50
18%
-138
- C1 -
2KS9
1
NK1R_HUMAN
A:
[33-324]
-------------------------------------
V
L
W
A
A
A
Y
T
V
I
V
V
T
S
V
V
G
---
N
V
V
V
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
L
V
N
L
A
F
A
E
A
S
M
A
A
F
N
-
T
V
V
N
F
T
Y
A
V
-
H
N
E
W
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
A
-------
V
A
F
D
----
R
Y
M
A
I
I
H
P
L
Q
P
R
L
-----
S
A
T
A
--
T
K
V
V
I
C
V
I
W
V
L
A
L
L
L
A
F
P
Q
G
Y
Y
------
S
T
T
-----
E
-----
T
M
P
S
R
V
V
C
M
I
E
W
P
E
H
P
-----------
N
K
-
I
------
Y
E
-
K
V
Y
H
I
C
V
T
V
L
I
Y
F
L
P
L
L
V
I
G
Y
A
-------------------------
Y
T
V
-
V
G
I
T
L
---
W
A
S
E
I
P
GDSSDRYH
E
Q
V
S
--------------------
A
----
K
-----
R
K
V
V
K
M
M
---
I
V
V
V
C
T
F
A
I
C
W
L
P
F
H
I
F
F
L
L
P
Y
I
-
N
--------
P
---------------
D
LYL
K
KFI----
Q
-------
Q
V
Y
L
A
I
M
W
L
-
A
M
S
S
T
M
Y
N
P
I
I
Y
C
C
L
N
D
R
F
R
--
L
G
F
-
K
H
A
F
---------------
R
C
C
P
F
I
S
A
----------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
81.34
15%
-141
- C1 -
2Z73
5
OPSD_TODPA
A:
[32-333]
----------------------------------
A
V
Y
Y
S
L
G
I
F
I
G
I
C
G
I
I
G
C
G
G
---
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
C
F
-
L
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
-------
I
S
I
D
----
R
Y
N
V
I
G
R
P
M
A
A
S
K
K
---
M
S
H
R
R
--
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
I
F
G
------
W
G
A
-----
Y
T
L
----
E
G
V
L
C
N
C
S
F
D
Y
I
S
-------------
R
D
-
S
------
T
T
-
R
S
N
I
L
C
M
F
I
L
G
F
F
G
P
I
L
I
I
F
F
C
-------------------------
Y
F
N
-
I
V
M
S
V
---
S
N
H
E
K
E
-----------
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
N
A
----
E
-----
M
R
L
A
K
I
S
---
I
V
I
V
S
Q
F
L
L
S
W
S
P
Y
A
V
V
A
L
L
A
Q
F
-
G
--------
P
LEW------------
V
---
T
-------
P
-------
Y
A
A
Q
L
P
V
M
F
-
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
--
E
A
I
-
S
Q
T
F
---------------
P
W
V
L
T
C
C
Q
----------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
79.60
17%
-113
- C1 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFYVP
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
---
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
-
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
-------
L
A
I
E
----
R
Y
V
V
V
C
K
P
M
S
-
N
F
R
---
F
G
E
N
H
--
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
G
------
W
S
R
-----
Y
-------
I
P
E
-------
G
M
Q
C
S
C
G
I
DYYTP
H
-
E
E
-
T
------
N
N
-
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
-------------------------
Y
G
Q
-
L
V
F
T
V
---
K
E
A
A
A
Q
-----------
Q
--------------------
Q
ESA
T
T
-----
Q
K
A
E
K
E
V
---
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
F
-
Y
--------
I
---------------
F
---
T
H
QGSDFG
P
-------
I
F
M
T
I
P
A
F
F
-
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
--
N
C
M
-
V
T
T
L
C
CGKNPLGDDEA
S
T
T
V
S
K
T
E
T
S
Q
VAPA------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
79.18
18%
-119
- C1 -
2LNL
-
CXCR1_HUMAN
A:
[38-323]
-----------------------------------
N
K
Y
V
V
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
---
N
S
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
F
A
L
-
T
-
L
P
I
W
A
A
S
K
--
V
N
G
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
-------
I
S
V
D
----
R
Y
L
A
I
V
H
A
T
R
T
L
T
----
Q
K
R
H
L
--
V
K
F
V
C
L
G
C
W
G
L
S
M
N
L
S
L
P
F
F
L
F
------
R
Q
A
-----
Y
H
----
P
N
N
S
S
P
V
C
Y
E
V
L
G
N
D
------------
T
A
-
K
------
W
R
-
M
V
L
R
I
L
P
H
T
F
G
F
I
V
P
L
F
V
M
L
F
C
-------------------------
Y
G
F
-
T
L
R
T
L
---
F
K
A
H
M
------------
G
--------------------
Q
----
K
-----
H
R
A
M
R
V
I
---
F
A
V
V
L
I
F
L
L
C
W
L
P
Y
N
L
V
L
L
A
D
T
L
-
M
RTQVIQE
S
C
---------------
E
R
--
R
N
N
I
----
G
-------
R
A
L
D
A
T
E
I
L
-
G
F
L
H
S
C
L
N
P
I
I
Y
A
F
I
G
Q
N
F
R
--
H
G
F
-
L
K
I
L
---------------
A
M
H
G
--------------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
75.87
15%
-119
- C1 -
1U19
14
OPSD_BOVIN
A:
[37-326]
---------------------------------
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
---
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
-
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
-------
L
A
I
E
----
R
Y
V
V
V
C
K
P
M
S
N
F
R
----
F
G
E
N
H
--
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
G
------
W
S
R
-----
Y
I
----
P
E
G
M
Q
C
S
C
G
I
D
Y
Y
T
P
----------
H
-
E
E
-
T
------
N
N
-
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
-------------------------
Y
G
Q
-
L
V
F
T
V
---
K
E
A
A
A
Q
-----------
Q
QESA
T
T
Q
K
------------
A
----
E
-----
K
E
V
T
R
M
V
---
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
F
Y
I
F
T
H
Q
--------
G
SD-------------
F
---
G
-------
P
-------
I
F
M
T
I
P
A
F
F
-
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
--
N
C
M
-
V
T
T
L
---------------
C
C
G
K
N
P
L
G
----------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
72.02
13%
-127
- C1 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
--------------------------------
D
E
V
W
V
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
---
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
-
M
K
M
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
-------
I
A
V
D
----
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
--
A
R
V
I
I
L
M
V
W
I
V
S
G
L
T
S
F
L
P
I
Q
M
HWYRAT
H
Q
E
-----
A
I
N
C
Y
A
E
E
T
C
C
D
F
F
T
N
Q
A
Y
A
I
A
S
S
-------
I
-
V
S
-
F
------
Y
V
-
P
L
V
I
M
V
F
V
Y
S
R
V
F
Q
E
A
K
R
Q
L
N
I
-------------------------
F
E
M
-
L
R
I
D
E
---
G
L
R
L
K
I
-----------
Y
--------------------
K
----
D
-----
T
E
G
Y
Y
T
I
---
G
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
S
E
L
D
K
A
I
-
G
--------
R
---------------
N
---
T
-------
N
-------
G
V
I
T
K
D
E
A
E
-
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
--
K
P
V
-
Y
D
S
L
---------------
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYKFCL
K
E
H
K
A
L
K
T
L
G
I
I
M
G
T
F
T
L
C
W
L
P
F
F
I
V
N
I
V
H
V
I
QDNLIR
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
PLIYCRS
P
D
F
R
I
A
F
Q
E
L
L
CL
50
Fugue
66.88
17%
-155
- C2 -
4DO7
2
?
A:
[3-289]
---------------------------
A
L
R
I
-
D
S
H
Q
H
--
F
W
R
Y
R
A
A
D
Y
-
P
W
I
G
A
---
G
M
G
V
L
A
R
D
Y
L
P
D
A
L
H
P
L
M
H
A
Q
A
L
G
A
S
I
A
V
Q
A
R
A
G
R
D
-
E
T
A
F
L
L
E
L
A
-
C
D
E
---------
A
R
I
A
A
V
V
G
W
E
D
L
R
A
P
Q
L
A
E
-------
R
V
A
E
WRGT
K
L
R
G
F
R
H
Q
L
Q
D
E
A
D
---
V
R
A
F
V
D
D
A
D
F
A
R
G
V
A
W
L
Q
A
-
N
D
Y
V
Y
D
V
L
V
------
F
E
R
QLPDV
Q
A
F
C
A
R
H
D
A
H
W
L
V
L
D
H
A
G
K
P
A
L
A
E
-------
F
-
D
T
-
A
------
L
A
-
R
W
R
A
A
L
R
E
L
A
--
A
L
P
H
V
V
C
K
L
S
-------------------------
G
L
V
-
T
E
A
D
W
RRG
L
R
A
S
D
L
-----------
R
--------------------
H
----
I
-----
E
Q
C
L
D
A
A
---
L
D
A
F
G
P
Q
R
L
M
F
G
S
D
W
P
V
C
L
L
------------------------------------------------------
A
A
S
Y
-
D
E
V
A
S
L
V
E
R
W
A
E
S
R
L
S
A
A
E
R
--
S
A
L
W
G
G
T
A
---------------
A
R
C
Y
A
L
P
-----------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
65.76
27%
-173
- C1 -
4EIY
19
AA2AR_HUMAN (first)
A:
[32-166]
-------------------------------------
S
V
Y
I
T
V
E
L
A
I
A
V
L
A
I
L
G
---
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
A
-
I
P
-
F
A
I
T
I
S
-
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
-------
I
A
I
D
----
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
--
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
G
------
W
N
N
-----
C
G
Q
P
K
E
G
K
N
H
S
Q
G
C
G
E
G
Q
V
A
C
L
F
E
-------
D
-
V
V
-
P
------
M
N
-
Y
M
V
Y
F
N
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
-------------------------
L
R
I
-
F
L
A
A
R
---
R
Q
L
A
D
L
-----------
E
--------------------
D
----
N
-----
W
E
T
L
N
D
N
---
L
K
V
I
E
K
A
D
N
A
A
Q
V
K
D
A
L
T
K
M
R
A
A
-
A
--------
L
---------------
D
---
A
-------
Q
-------
K
M
K
D
F
R
H
G
F
-
D
I
L
V
G
Q
I
D
D
A
L
K
L
A
N
E
G
K
V
K
--
E
A
Q
-
A
A
A
E
---------------
Q
L
K
T
T
R
N
A
----------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
65.46
21%
-153
- C1 -
3UON
2
ACM2_HUMAN (first)
A:
[23-215]
------------------------------------
V
V
F
I
V
L
V
A
G
S
L
S
L
V
T
I
I
G
---
N
I
L
V
M
V
S
I
K
V
N
R
H
L
Q
T
V
N
N
Y
F
L
F
S
L
A
C
A
D
L
I
I
G
V
F
S
-
M
N
L
Y
T
L
Y
T
V
-
I
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
A
S
V
M
N
L
L
I
-------
I
S
F
D
----
R
Y
F
C
V
T
K
P
L
T
Y
P
V
K
---
R
T
T
K
M
--
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
P
A
I
L
F
------
W
Q
F
-----
I
V
G
V
--
R
T
V
E
D
G
E
C
Y
I
Q
F
------------------
F
------
S
N
-
A
A
V
T
F
G
T
A
I
A
A
F
Y
L
P
V
I
I
M
T
V
L
-------------------------
Y
W
H
-
I
S
R
A
S
---
K
S
R
I
N
I
-----------
F
--------------------
E
----
M
-----
L
R
I
D
E
G
L
---
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
-
P
--------
S
---------------
L
---
N
-------
A
-------
A
K
S
E
L
D
K
A
I
-
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
--
V
D
A
-
A
V
R
G
---------------
I
L
R
N
A
K
L
K
----------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
64.71
14%
-123
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
--------------
P
C
F
R
E
E
N
A
N
F
-----------
N
K
I
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
---
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
I
T
--
L
P
F
W
A
V
D
A
V
-
A
N
W
Y
F
-
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
-------
I
S
L
D
----
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
--
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
F
------
A
N
V
-----
S
E
A
D
D
R
Y
I
C
D
R
F
Y
P
N
D
L
W
V
V
V
F
Q
F
-------
Q
-
H
I
-
M
------
V
G
-
L
I
L
P
G
I
V
I
L
S
C
Y
C
I
I
I
S
K
L
S
H
S
GSN
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
G
I
G
H
L
L
---
T
K
S
P
S
L
-----------
N
--------------------
A
----
A
-----
K
S
E
L
D
K
A
IGR
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
-
R
--------
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
---
V
-------
R
-------
R
A
A
L
I
N
M
V
F
-
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
RW
D
E
A
-
A
V
N
L
---------------
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
H
Q
K
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
D
S
F
I
L
L
EI
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ---------------------
30
HHSearch
64.44
22%
-153
- C1 -
3EML
8
ENLYS_BPT4
A:
[21-222]
------------------------------------
S
S
V
Y
I
T
V
E
L
A
I
A
V
L
A
I
L
G
---
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
A
-
I
P
F
A
I
T
I
S
T
---
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
-------
I
A
I
D
----
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
--
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
G
------
W
N
N
-----
C
G
Q
-------
S
Q
G
C
G
E
G
Q
---
V
A
C
-------
L
-
F
E
D
V
------
V
P
M
N
Y
M
V
Y
F
N
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
-------------------------
Y
L
R
-
I
F
L
A
A
---
R
R
Q
L
N
I
-----------
F
--------------------
E
----
M
-----
L
R
I
D
E
G
L
---
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
-
P
--------
S
---------------
L
---
N
-------
A
-------
A
K
S
E
L
D
K
A
I
-
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
--
V
D
A
-
A
V
R
G
---------------
I
L
R
N
A
K
L
K
----------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
63.69
26%
-167
- C1 -
2YDV
5
?
A:
[7-141]
-------------------------------------
S
V
Y
I
T
V
E
L
A
I
A
V
L
A
I
L
G
---
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
A
A
A
A
D
I
L
V
G
V
L
A
-
I
P
-
F
A
I
A
I
S
-
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
F
V
L
V
L
T
A
S
S
I
F
S
L
L
A
-------
I
A
I
D
----
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
--
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
G
------
W
N
N
-----
C
G
Q
P
K
E
G
K
A
H
S
Q
G
C
G
E
G
Q
V
A
C
L
F
E
-------
D
-
V
V
-
P
------
M
N
-
Y
M
V
Y
F
N
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
-------------------------
L
R
I
-
F
L
A
A
R
---
R
Q
L
K
Q
M
-----------
E
--------------------
S
----
Q
-----
S
T
L
Q
K
E
V
---
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
-
N
--------
C
---------------
F
---
T
-------
F
-------
F
C
P
D
C
S
H
A
P
-
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
--
I
Y
A
-
Y
R
I
R
---------------
E
F
R
Q
T
F
R
K
----------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
63.12
26%
-164
- C1 -
4UG2
2
?
A:
[7-141]
-------------------------------------
S
V
Y
I
T
V
E
L
A
I
A
V
L
A
I
L
G
---
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
A
A
A
A
D
I
L
V
G
V
L
A
-
I
P
-
F
A
I
A
I
S
-
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
F
V
L
V
L
T
A
S
S
I
F
S
L
L
A
-------
I
A
I
D
----
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
--
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
G
------
W
N
N
-----
C
G
Q
P
K
E
G
K
A
H
S
Q
G
C
G
E
G
Q
V
A
C
L
F
E
-------
D
-
V
V
-
P
------
M
N
-
Y
M
V
Y
F
N
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
-------------------------
L
R
I
-
F
L
A
A
R
---
R
Q
L
A
R
S
-----------
T
--------------------
L
----
Q
-----
K
E
V
H
A
A
K
---
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
-
F
--------
F
---------------
C
---
P
-------
D
-------
C
S
H
A
P
L
W
L
M
-
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
--
R
I
R
-
E
F
R
Q
---------------
T
F
R
K
I
I
R
S
----------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
62.78
26%
-167
- C1 -
2YDO
2
?
A:
[7-141]
-------------------------------------
S
V
Y
I
T
V
E
L
A
I
A
V
L
A
I
L
G
---
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
A
A
A
A
D
I
L
V
G
V
L
A
-
I
P
-
F
A
I
A
I
S
-
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
F
V
L
V
L
T
A
S
S
I
F
S
L
L
A
-------
I
A
I
D
----
R
Y
I
A
I
R
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
--
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
G
------
W
N
N
-----
C
G
Q
P
K
E
G
K
A
H
S
Q
G
C
G
E
G
Q
V
A
C
L
F
E
-------
D
-
V
V
-
P
------
M
N
-
Y
M
V
Y
F
N
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
-------------------------
L
R
I
-
F
L
A
A
R
---
R
Q
L
K
Q
M
-----------
E
--------------------
S
----
T
-----
L
Q
K
E
V
H
A
---
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
-
F
--------
T
---------------
F
---
F
-------
C
-------
P
D
C
S
H
A
P
L
W
-
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
--
A
Y
R
-
I
R
E
F
---------------
R
Q
T
F
R
K
I
I
----------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
62.69
17%
-160
- C1 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-226]
---------------------------------------
Y
A
L
S
Y
C
A
L
I
L
A
I
V
F
G
---
N
G
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
L
V
V
S
L
A
V
A
D
L
L
V
A
T
L
V
-
M
P
W
V
V
Y
L
E
V
T
G
G
V
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
-------
I
S
I
D
----
R
Y
T
A
V
V
M
P
V
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
--
V
A
L
M
I
T
A
V
W
V
L
A
F
A
V
S
C
P
L
L
F
G
------
F
N
T
-----
T
-------
G
D
P
T
V
C
S
I
------------------
S
-
N
---------
P
D
F
V
I
Y
S
S
V
V
S
F
Y
L
P
F
G
V
T
V
L
V
-------------------------
Y
A
R
-
I
Y
V
V
L
---
K
Q
R
R
R
K
-----------
N
--------------------
I
----
F
-----
E
M
L
R
I
D
E
---
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
-
K
--------
S
---------------
P
---
S
-------
L
-------
N
A
A
K
S
E
L
D
K
-
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
--
Q
D
V
-
D
A
A
V
---------------
R
G
I
L
R
N
A
K
----------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
62.45
19%
-138
- C1 -
2RH1
6
ADRB2_HUMAN (first)
A:
[40-236]
------------------------------------
V
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
---
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
-
M
K
M
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
-------
I
A
V
D
----
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
--
A
R
V
I
I
L
M
V
W
I
V
S
G
L
T
S
F
L
P
I
Q
M
------
H
W
Y
-----
R
A
T
----
H
Q
E
A
I
N
C
Y
A
E
----
E
T
C
-------
C
-
D
F
-
F
------
T
N
-
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
V
-------------------------
Y
S
R
-
V
F
Q
E
A
---
K
R
Q
L
N
I
-----------
F
--------------------
E
----
M
-----
L
R
I
D
E
G
L
---
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
-
P
--------
S
---------------
L
---
N
-------
A
-------
A
K
S
E
L
D
K
A
I
-
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
--
V
D
A
-
A
V
R
G
---------------
I
L
R
N
A
K
L
K
----------------------------------------------------------------------------------------------------------------------------------------------