@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 : OX1R_HUMAN: (2016-01-14 )
MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP
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.......320......---.330.......340-----..---....-------.350.......360.......370....-...380.......390.......400.......410.......420...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MEPSATPGAQMGVPPGSREPSPVPPD
Y
E
D
E
F
L
R
Y
L
W
R
DYLYPKQ
Y
E
--
W
V
L
I
A
A
Y
V
A
V
F
V
V
A
L
VGN
T
L
V
C
L
A
V
W
RNHH
M
R
T
V
T
N
Y
F
I
V
N
L
S
L
A
D
V
L
V
T
A
I
C
L
P
A
S
L
L
V
D
I
-
T
E
S
W
L
F
G
H
A
L
C
K
V
I
P
Y
L
Q
A
V
S
V
S
V
A
V
L
T
L
S
F
I
A
L
D
R
W
Y
A
I
C
H
P
L
L
F
K
S
-----
T
A
R
RARG
S
I
L
--
G
I
W
A
V
S
L
A
I
-MV
P
Q
A
A
V
M
E
C
S
S
V
L
P
E
L
A--NR
T
R
------
L
F
S
V
C
D
E
R
W
A
----
D
---
D
L
Y
P
K
I
Y
H
S
C
F
-
F
I
V
T
Y
L
A
P
L
G
L
M
A
M
A
Y
F
Q
I
F
R
K
L
WGRQIPG
T
T
S
A
L
V
R
N-------W---------------------K--------------------R----------------P------------------S----D-------------------Q--L--------------
G
-----------------
D
------------------------------------------------
L
-----------
E
--------------------------------Q-------------------------------------------------G-LS---------------------------G-------E----------------P----------------------
Q
----------------------
P
------
R
---------
A
R
----------
A
-----------
F
L
A
E
V
K
Q
M
R
A
R
R
K
T
A
K
M
L
M
V
V
L
L
V
F
A
L
C
Y
L
P
I
S
V
L
N
V
L
K
R
V
F
G
M
F
R---QASDRE
A
V
Y
A
C
F
T
F
-----
S
H
---
W
L
V
Y
-------ANSAAN
P
I
I
Y
N
F
L
S
G
K
F
R
E
Q
F
K
A
A
F
S
C
C-LPGLGPCGSLKAPSPRSSASHKSL
S
L
Q
SRC
S
I
S
K
I
SE
H
V
V
L
T
S
V
TTVLP
27
HHSearch
83.27
24%
-127
- C1 -
2RH1
16
ADRB2_HUMAN (first)
A:
[39-477]
--------------------------------------------
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
LL---
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
TEGYYTIGIGHLLT
K
SPS
L
----------------
N
----------------
A
------------------
A
----
K
S
E
L
----------------
D
K
A
I
G-------------
R
NTNGVIT
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
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
-------
R
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
T
G
-----------
T
W
D
A
Y
K
F
C
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
82.36
24%
-136
- C1 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
--------------------------------------------------
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
GLRL
K
I
Y
---------------------
K
--------------------
D
----------------
T
E-----------------
G
----
Y
Y
T
I
G
IGHL-----------
L
--
T
--------------
K
SPS
L
N
A
A
K
S
E
L
D
K
A
I
G-
R
------------------------------------------------
N
TNGVIT
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
LD
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
K
-------
R
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
T
G
T
W
D
A
Y
G
V
P
L
R
E
K
K
A
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
W
L
P
F
F
L
T
H
V
L
N
T
H
C
Q
T
C
-------
H
--
V
S
P
E
L
Y
S
A
-----
T
T
---
W
L
G
Y
-------
V
N
S
A
L
N
P
V
I
Y
T
T
F
N
I
E
F
R
K
A
F
L
K
I
L
S
C
---------------------------------------------------
28
HHSearch
81.55
24%
-134
- C1 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
-------------------------------------------------
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
YR---
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
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
----
N
-------------------
A
--
A
--------------
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
------------------------------------------------
E
-----------
A
--------------------------------
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
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
TG-
T
W
D
A
Y
L
H
M
N
R
E
R
K
A
A
K
Q
L
G
F
I
M
A
A
F
I
L
C
W
I
P
Y
F
I
F
F
M
V
I
A
F
C
K
N
C
-------
C
N
---
E
H
L
H
M
F
-----
T
I
---
W
L
G
Y
-------
I
N
S
T
L
N
P
L
I
Y
P
L
C
N
E
N
F
K
K
T
F
K
R
I
L
H
I
---------------------------------------------------
31
HHSearch
79.32
25%
-136
- C1 -
3EML
13
ENLYS_BPT4
A:
[22-471]
------------------------------------------------
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
-----SQ
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
TEGYYTIGIGHLLT
K
----------------
S
PS
L
N
A
-------------
A
----
K
-------------------
S
--
E
L
D
K
A
----------
I
GRNTNGVIT
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
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
-------
R
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
T
G
----------
T
-----------
W
D
A
Y
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
-
V
L
R
Q
---------------------------------------------
26
HHSearch
76.08
20%
-121
- C1 -
3UON
4
ACM2_HUMAN (first)
A:
[25-457]
-------------------------------------------------
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
KR---
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
TEG
Y
Y
T
I
GIGHLLTK
S
------------------
P
----
S
L
N
A
A
K
--------------
S
--
E
L
D
K
A
I
GRNTNGVIT
K
-----------------
D
------------------------------------------------
E
-----------
A
--------------------------------
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
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
T-
G
-----------
T
W
D
A
Y
P
P
P
S
R
E
K
K
V
T
R
T
I
L
A
I
L
L
A
F
I
I
T
W
A
P
Y
N
V
M
V
L
I
N
T
F
C
A
P
------
C
-
I
---
P
N
T
V
W
T
I
-----
G
Y
---
W
L
C
Y
-------
I
N
S
T
I
N
P
A
C
Y
A
L
C
N
A
T
F
K
K
T
F
K
H
L
L
M
----------------------------------------------------
5
PsiBlast_PDB
75.93
29%
-155
- C1 -
4EA3
3
C562_ECOLX (first)
A:
[121-405]
-----------------------------------------
P
L
G
L
K
--
V
T
I
V
G
L
Y
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
L
V
L
-
L
T
L
P
F
Q
G
T
D
I
L
-
L
G
F
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------
T
S
S
K
A
Q
A
V
N
V
--
A
I
W
A
L
A
S
V
V
-
G
V
P
-
V
A
I
M
G
S
A
Q
V
E
D
E
-------
E
------
I
E
C
L
V
E
I
P
T
P
----
Q
---
D
Y
W
G
P
V
F
A
I
C
I
-
F
L
F
S
F
I
V
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
R
L
R
G
V
R
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
---------------------------
G
-------
S
----------------
R
----------------------
E
---------------------------------------------------------------------
K
D
R
N
L
R
R
I
T
R
L
V
L
V
V
V
A
V
F
V
G
C
W
T
P
V
Q
V
F
-
V
L
A
Q
G
L
G
V
-----
Q
P
S
S
E
T
A
V
-
A
I
L
R
F
-----
C
T
---
A
L
G
Y
-------
V
N
S
C
L
N
P
I
L
Y
A
F
L
D
----
E
N
F
K
A
C
F
R
----------------------------------------------------
17
PsiBlast_PDB
75.69
27%
-151
- C1 -
2VT4
8
ADRB1_MELGA
A:
[10-294]
--------------------------------------------
W
E
A
G
M
S
L
L
M
A
L
V
V
L
L
I
V
A
--
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
-----
L
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
------------
S
F
L
P
I
M
M
--
H
W
W
R
DED
P
Q
A
L
K
C
Y
Q
D
P
G
C
C
----
D
---
F
V
T
N
R
A
Y
A
I
A
S
-
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
-----------------------------------------------------------------------------------
A
------------------
K
----
E
-------------------
Q
--
I
--------------
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
----
N
V
F
N
---
R
D
L
V
P
D
W
L
F
V
A
F
--------
N
---
W
L
G
Y
-------
A
N
S
A
M
N
P
I
I
Y
C
-
R
S
P
D
F
R
K
A
F
K
R
L
L
A
----------------------------------------------------
29
HHSearch
75.05
23%
-133
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[45-495]
------------------------------------------
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
G
S
N
I
F
E
M
L
R
I
D
E
-------
G
---------------------
L
R
L
K
-----------------
I
----------------
Y
------------------
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT--
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
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
--------------------------------
Q
-------------------------------------------------
K
-
R
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
---------
T
G
----------
T
-----------
W
D
A
Y
G
S
K
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
E
I
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
S
I
-----
T
E
---
A
L
A
F
-------
F
H
C
C
L
N
P
I
L
Y
A
F
L
G
A
K
F
K
T
S
A
Q
H
A
L
T
S
G
-
R
P
L
E
V
L
F
Q
-----------------------------------------
18
PsiBlast_PDB
74.52
27%
-143
- C1 -
2YCW
7
ADRB1_MELGA
A:
[5-294]
---------------------------------------
L
L
S
Q
Q
W
E
A
G
M
S
L
L
M
A
L
V
V
L
L
I
V
A
--
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
-----
L
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
------------
S
F
L
P
I
M
M
--
H
W
W
R
DED
P
Q
A
L
K
C
Y
Q
D
P
G
C
C
----
D
---
F
V
T
N
R
A
Y
A
I
A
S
-
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
-----------------------------------------------------------------------------------
A
------------------
K
----
E
-------------------
Q
--
I
--------------
R
-----------------
K
------------------------------------------------
I
-----------
D
--------------------------------
R
-------------------------------------------------
A
------------------------------------------------------------------------------
S
----------------------
K
------
R
---------
K
R
----------
V
-----------
M
L
-----
M
R
-
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
----
N
V
F
N
---
R
D
L
V
P
D
W
L
F
V
A
F
--------
N
---
W
L
G
Y
-------
A
N
S
A
M
N
P
I
I
Y
C
-
R
S
P
D
F
R
K
A
F
K
R
L
L
A
F
---------------------------------------------------
20
PsiBlast_PDB
74.24
27%
-145
- C1 -
2YCZ
2
ADRB1_MELGA
A:
[9-294]
-------------------------------------------
Q
W
E
A
G
M
S
L
L
M
A
L
V
V
L
L
I
V
A
--
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
-----
L
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
------------
S
F
L
P
I
M
M
--
H
W
W
R
DED
P
Q
A
L
K
C
Y
Q
D
P
G
C
C
----
D
---
F
V
T
N
R
A
Y
A
I
A
S
-
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
-----------------------------------------------------------------------------------
A
------------------
K
----
E
-------------------
Q
--
I
--------------
R
-----------------
K
------------------------------------------------
I
-----------
D
--------------------------------
R
-------------------------------------------------
A
------------------------------------------------------------------------------
S
----------------------
K
------
R
---------
K
R
----------
V
-----------
M
L
-----
M
R
-
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
----
N
V
F
N
---
R
D
L
V
P
D
W
L
F
V
A
F
--------
N
---
W
L
G
Y
-------
A
N
S
A
M
N
P
I
I
Y
C
-
R
S
P
D
F
R
K
A
F
K
R
L
L
A
F
---------------------------------------------------
19
PsiBlast_PDB
73.39
27%
-145
- C1 -
2YCX
3
ADRB1_MELGA
A:
[9-294]
-------------------------------------------
Q
W
E
A
G
M
S
L
L
M
A
L
V
V
L
L
I
V
A
--
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
-----
L
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
------------
S
F
L
P
I
M
M
--
H
W
W
R
DED
P
Q
A
L
K
C
Y
Q
D
P
G
C
C
----
D
---
F
V
T
N
R
A
Y
A
I
A
S
-
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
-----------------------------------------------------------------------------------
A
------------------
K
----
E
-------------------
Q
--
I
--------------
R
-----------------
K
------------------------------------------------
I
-----------
D
--------------------------------
R
-------------------------------------------------
A
------------------------------------------------------------------------------
S
----------------------
K
------
R
---------
K
R
----------
V
-----------
M
L
-----
M
R
-
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
----
N
V
F
N
---
R
D
L
V
P
D
W
L
F
V
A
F
--------
N
---
W
L
G
Y
-------
A
N
S
A
M
N
P
I
I
Y
C
-
R
S
P
D
F
R
K
A
F
K
--------------------------------------------------------
12
PsiBlast_PDB
72.95
29%
-142
- C1 -
3PWH
1
?
A:
[8-300]
-------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
LV---
T
G
T
R
A
A
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
--------------------
G
C
G
E
G
Q
V
ACLF
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
-----------------------------------------------
A
--------------------
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
A
A
----
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
-----------------------
C
F
T
F
FCPDC
S
H
AP
L
W
L
M
Y
L
A
I
V
L
A
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
---------------------------------------------------
6
PsiBlast_PDB
72.64
30%
-149
- C1 -
3VG9
8
?
A:
[8-300]
-------------------------------------------------
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
LV---
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
PD
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
-
V
L
R
----------------------------------------------
7
PsiBlast_PDB
72.52
30%
-149
- C1 -
3VGA
1
AA2AR_HUMAN
A:
[8-300]
-------------------------------------------------
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
--------------
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
PD
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
-
V
L
-----------------------------------------------
15
PsiBlast_PDB
72.15
29%
-140
- C1 -
3UZA
1
AA2AR_HUMAN
A:
[8-300]
-------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
LV---
T
G
T
R
A
A
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
--------------------
G
C
G
E
G
Q
V
ACL
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
-----------------------------------------------
A
--------------------
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
A
A
----
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
-----------------------
C
F
T
F
FCPDC
S
H
AP
L
W
L
M
Y
L
A
I
V
L
A
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
---------------------------------------------------
14
PsiBlast_PDB
71.98
29%
-139
- C1 -
3RFM
1
AA2AR_HUMAN
A:
[8-300]
-------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
LV---
T
G
T
R
A
A
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
--------------------
G
C
G
E
G
Q
V
ACL
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
-----------------------------------------------
A
--------------------
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
A
A
----
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
-----------------------
C
F
T
F
FCPDC
S
H
AP
L
W
L
M
Y
L
A
I
V
L
A
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
---------------------------------------------------
16
PsiBlast_PDB
71.92
29%
-138
- C1 -
3UZC
1
AA2AR_HUMAN
A:
[8-300]
-------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
LV---
T
G
T
R
A
A
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
--------------------
G
C
G
E
G
Q
V
ACL
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
-----------------------------------------------
A
--------------------
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
A
A
----
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
-----------------------
C
F
T
F
FCPDC
S
H
AP
L
W
L
M
Y
L
A
I
V
L
A
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
---------------------------------------------------
4
PsiBlast_PDB
71.68
28%
-108
- C1 -
2KSB
1
NK1R_HUMAN
A:
[63-362]
------------------------------------------------------------------------------
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
HPN
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
G
D
S
--------------------------------------------------------------------------------------------
S
----
D
-------------------
R
--
Y
--------------
H
-----------------
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
L
Y
---
L
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
D
Y
E
G
L
E
M
K
S
T
R
--------
Y
L
Q
T
Q
G
S
V
Y
K
V
S
R
--
L
E
T
T
I
S
T
V
V
G
3
PsiBlast_PDB
71.68
28%
-108
- C1 -
2KSA
1
NK1R_HUMAN
A:
[63-362]
------------------------------------------------------------------------------
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
HPN
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
G
D
S
--------------------------------------------------------------------------------------------
S
----
D
-------------------
R
--
Y
--------------
H
-----------------
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
L
Y
---
L
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
D
Y
E
G
L
E
M
K
S
T
R
--------
Y
L
Q
T
Q
G
S
V
Y
K
V
S
R
--
L
E
T
T
I
S
T
V
V
G
2
PsiBlast_PDB
71.68
28%
-108
- C1 -
2KS9
1
NK1R_HUMAN
A:
[63-362]
------------------------------------------------------------------------------
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
HPN
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
G
D
S
--------------------------------------------------------------------------------------------
S
----
D
-------------------
R
--
Y
--------------
H
-----------------
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
L
Y
---
L
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
D
Y
E
G
L
E
M
K
S
T
R
--------
Y
L
Q
T
Q
G
S
V
Y
K
V
S
R
--
L
E
T
T
I
S
T
V
V
G