@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 : OR9A4_HUMAN: (2016-01-14 )
MLMNYSSATEFYLLGFPGSEELHHILFAIFFFFYLVTLMGNTVIIMIVCVDKRLQSPMYFFLGHLSALEILVTTIIVPVMLWGLLLPGMQTIYLSACVVQLFLYLAVGTTEFALLGAMAVDRYVAVCNPLRYNIIMNRHTCNFVVLVSWVFGFLFQIWPVYVMFQLTYCKSNVVNNFFCDRGQLLKLSCNNTLFTEFILFLMAVFVLFGSLIPTIVSNAYIISTILKIPSSSGRRKSFSTCASHFTCVVIGYGSCLFLYVKPKQTQAADYNWVVSLMVSVVTPFLNPFIFTLRNDKVIEALRDGVKRCCQLFRN
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)
-------------------------------------MLMNYSSA
T
E
F
Y
L
----------------
L
G----------------FP
G
S
E
E
L
H
H
I
L
F
A
I
F
F
F
F
Y
L
V
T
LMGN-------
T
V
I
I
M
I
V
CV
D
K
R
LQS
P
M
Y
F
F
L
G
H
L
S
A
L
E
I
L
V
T
T
I
I
-
V
P
V
M
L
W
G
L
L
L-PG
M
Q
T
I
Y
L
-----
S
A
C
----
V
V
Q
L
F
L
Y
L
AVG
T
T
E
F
A
L
L
G
A
M
A
V
D
R
Y
V
A
V
C-N
P
-----
L
R
Y
N
I
I
---MNRHTCN
F
------
V
V
L
-
V
S
W
V
F
G
F
L
F
-----
Q
I
W
----
P
V
Y
V
M
---------
F
------
Q
L
--
T
Y
CKSN
V
V
NNFFCDRG
Q
L
L
K
L
SCNN
T
L
-
F
-
T
-------
E
-
F
I
L
F
L
M
A
V
F
V
L
F
G
S
L
I
P
T
I
VSN
A
Y
I
--
I
S
----
T
I
L
KI----PSS-----------S--------------------G--------RR
K
S
F
S
T
C
AS
H
F
T
C
V
V
I
GYG
S
C
L
F
L
Y
VKPKQ----T-Q-----AA-------
D
-------
Y
--
N
--
W
V
V
S
L
M
V
S
V
V
--
T
P
F
L
N
P
F
I
F
TLRN
D
K
-----
V
I
E
A
L
R
D
G
V
K
R
C
C
Q
L
FRN-----------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
88.22
17%
-144
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
---------------------------------------
M
N
G
T
E
G
P
N
F
Y
V
----------------
P
F
SNKTGVVRSPFEAPQY
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
-
T
PHEETN
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
T
VSKTETS
Q
V
A
P
A-----------------------------------------------------------------------------------------------------------------------------
35
HHSearch
85.87
15%
-166
- C3 -
2Z73
5
OPSD_TODPA
A:
[32-334]
-----------------------------------------------------------------------------------------
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
F
-----------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
83.72
18%
-134
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
---------------------------------------
M
N
G
T
E
G
P
N
F
Y
V
PFSNKTGVVRSPFEAP
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
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
----
Q
E
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
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
C
G
K
N
P
L
G
D
DEA
S
T
T
V
S
K
TETSQVAPA-----------------------------------------------------------------------------------------------------------------------
30
HHSearch
82.47
17%
-156
* C3 *
2KS9
1
NK1R_HUMAN
A:
[32-324]
-------------------------------------------------------------------------------------------
I
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
DLYL-
K
K
-------
F
-------
I
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
G
-----------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
81.49
16%
-143
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
------------------------------------------
S
F
K
C
A
L
T
K
----------------
T
G
----------------
F
-----
Q
F
Y
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
-------
S
V
A
I
W
M
F
V
F
H
M
K
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
-
Y
V
L
T
-
L
P
A
L
I
F
Y
Y
F
N
-
K
T
D
W
I
F
G
D
-----
A
M
C
----
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
-
Y
P
KSL
G
R
L
K
K
K
N
A
---
I
C
I
S
V
L
V
W
------
L
I
V
-
V
V
A
I
S
P
I
L
F
-----
Y
S
G
----
T
G
V
R
K
---------
N
------
K
T
--
I
T
C
Y
D
T
T
S
D
E
Y
L
R
S
Y
F
I
Y
S
M
C
T
T
V
A
M
F
-
C
-
V
-------
P
-
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
I
Y
K
M
--
K
K
Y
T
--
C
T
----
V
C
G
Y
I
Y
N
PE
D
G
D
-----------
P
--------------------
D
--------
N
G
V
N
P
G
T
D
F
K
D
I
V
C
P
L
C
G
V
G
K
D
Q
F
E
E
V
E
E
P
L
----
R
-
R
-----
K
S
-------
I
-------
Y
--
L
--
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
K
T
M
N
L
R
A
R
L
DFQTP
A
M
C
A
F
N
D
R
V
Y
A
T
Y
Q
V
T
R
G
L
A
S
L
N
S
C
V
N
P
I
L
Y
F
LAGDTFRRR------------------------------------------------------------------------------------------------------------------
42
Fugue
76.57
13%
-124
- C3 -
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
H
---------
W
YRATH
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
33
HHSearch
71.31
14%
-148
- C3 -
1U19
14
OPSD_BOVIN
A:
[40-327]
-------------------------------------------------------------------------------------------
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
--------------------
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
---
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
D
-----------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
70.28
14%
-139
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[35-323]
---------------------------------------------------------------------------------------
E
T
L
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
RTQ
V
I
Q
E
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
----------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
68.04
18%
-147
- C2 -
4QNU
3
CMOB_ECOK1
A:
[1-323]
MIDF
G
N
F
Y
S
L
I
A
K
N
HLSHWLET
L
P
A
Q
I
A
N
W
Q
R
E
QQHG
L
F
K
Q
W
S
N
A
V
E
F
L
P
----------------
E
I
----------------
K
P
Y
R
L
D
L
L
H
S
V
--------
T
A
E
S
E
E
P
-------
L
S
A
G
Q
I
K
R
I
E
T
L
M
R
N
L
M
P
W
R
K
G
P
F
S
L
Y
G
V
N
I
D
T
E
W
-
R
S
D
W
K
W
D
R
V
L
-
P
H
-----
L
-----
S
D
L
----
T
G
R
T
I
L
D
V
G
C
G
S
G
-
Y
H
M
W
R
M
I
G
A
G
A
H
L
A
V
G
I
D
P
-----
T
Q
L
F
L
C
---
Q
F
E
A
V
R
K
L
L
GNDQR
A
H
L
-
L
P
L
G
I
E
Q
L
P
-----
A
L
K
----
A
F
D
T
V
---------
F
------
S
M
GV
L
Y
H
R
R
S
P
L
E
H
L
W
Q
L
K
D
Q
L
V
N
------------------
E
-
G
E
L
V
L
E
T
L
-
V
I
D
G
D
E
N
T
V
L
V
P
G
D
R
Y
AQ
M
R
----
N
V
Y
F
I
----
P
S
A
-----------
L
--------------------
A
--------
L
K
N
W
L
K
K
C
--
G
F
V
D
I
R
I
A
D
V
S
V
------
T
T
T
----
E
-
E
-----
Q
R
-------
R
-------
T
--
E
--
W
M
V
---------
T
E
S
L
A
D
F
L
D
P
H
D
P
G
K
-----
T
V
E
G
Y
P
A
P
-
K
R
A
V
L
I
A
R
K
P----------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
67.58
18%
-163
- C3 -
3RZE
2
ENLYS_BPT4 (first)
A:
[10-200]
---------------------------------------------------------------------------------------------
P
L
V
V
V
L
S
T
I
C
L
V
T
V
G
L
N
-------
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
V
V
-
M
P
M
N
I
L
Y
L
L
M
-
S
K
W
S
-
L
G
R
-----
P
L
C
----
L
F
W
L
S
M
D
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
-
Q
P
-----
L
R
Y
L
K
Y
---
R
T
K
T
R
A
S
A
------
T
I
L
-
G
A
W
F
L
S
F
L
W
-----
V
I
P
----
I
L
G
-
W
---------
N
------
H
----------
R
R
E
D
K
C
E
T
D
F
---------
Y
-
D
-
V
-------
T
-
W
F
K
V
M
T
A
I
I
N
F
Y
L
P
T
L
L
M
L
W
F
Y
A
K
I
--
Y
K
----
A
V
R
Q
H
----
C
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
-----------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
66.92
19%
-183
- C3 -
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
P
-----------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
66.31
15%
-158
- C3 -
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
P
-----------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
65.67
17%
-169
- C3 -
3UON
2
ACM2_HUMAN (first)
A:
[24-215]
--------------------------------------------------------------------------------------------
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
P
-----------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
65.61
14%
-160
- C1 -
4TNW
-
?
A:
[1-342]
----------------------------------S
D
S
K
I
L
A
H
L
F
T
S
G
Y
D
F
----------------
R
V
----------------
R
P
P
T
D
N
G
G
P
V
V
V
S
V
N
M
L
L
R
T
I
S
K
I
D
V
VNM
E
Y
S
A
Q
L
T
L
R
E
S
W
I
D
K
R
L
S
----
Y
G
V
K
G
D
G
Q
P
D
F
V
I
L
T
V
G
-
H
Q
I
W
M
P
D
T
F
F
-
P
N
E
K
Q
A
Y
K
H
TIDK
P
N
V
----
L
I
R
I
H
N
D
---
G
T
V
L
Y
S
V
R
I
S
L
V
L
S
-----
C
-
P
M
-----
Y
L
Q
Y
Y
P
---
M
D
V
Q
Q
C
S
I
------
D
L
A
S
Y
A
Y
T
T
K
D
I
E
-----
Y
L
W
KEHS
P
L
Q
L
K
VGLSSSLPS
F
------
Q
L
--
T
N
-
T
S
T
T
Y
C
T
S
V
T
N
T
G
I
Y
S
C
L
R
T
T
I
Q
L
-
K
-
R
-------
E
-
F
S
F
Y
L
L
Q
L
Y
I
P
S
C
M
L
V
I
V
S
W
-------
V
S
----
F
W
F
D
R
----
T
A
I
-----------
P
--------------------
A
--------
R
V
T
L
G
V
T
T
L
L
T
M
T
A
Q
S
A
G
I
N
S
Q
L
----
P
P
V
S
----
Y
-
I
-----
K
A
-------
I
-------
D
--
V
--
W
I
G
A
C
M
T
F
I
F
--
C
A
L
L
E
F
A
L
V
N
H
I
A
N
A
-----
G
T
T
E
W
N
D
I
S
K
R
V
D
L
I
S
R
A
L
F
P
V
L
F
F
V
F
N
I
L
Y
W
S
R
F
GHHH--------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
64.93
24%
-173
- C3 -
4EIY
18
AA2AR_HUMAN (first)
A:
[43-189]
-------------------------------------------------------------------------------------------------------
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
Y
-----------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
64.53
18%
-179
- C3 -
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
L
-----------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
64.04
24%
-181
- C3 -
3VGA
1
AA2AR_HUMAN
A:
[18-164]
-------------------------------------------------------------------------------------------------------
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
----
K
Q
M
-----------
E
--------------------
S
--------
Q
P
L
P
G
E
R
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
-----------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
63.85
24%
-173
- C3 -
4UG2
3
?
A:
[18-164]
-------------------------------------------------------------------------------------------------------
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
H
-----------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
63.72
18%
-169
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-240]
-----------------------------------------------------------------------------------------
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
----
G
S
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
-----------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
63.28
24%
-170
- C3 -
4UHR
1
AA2AR_HUMAN
A:
[18-164]
-------------------------------------------------------------------------------------------------------
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
---
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
P
L
P
G
E
R
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
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
-----------------------------------------------------------------------------------------------------------------------------------------