@TOME V2.3
(Nov 2016)
Ref.
-
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : OR7A2_HUMAN: (2016-01-14 )
MVKAGNETQISEFLLLGFSEKQELQPFLFGLFLSMYLVTVLGNLLIILAAISDSCLHTPMYFFLSNLSFVDICFASTMVPKMLVNIQTQSKVITYAGCITQMCFFVLFIVLDSLLLTVMAYDQFVAICHPLHYTVIMSPQLCGLLVLVSWIMSVLNSMLQSLVTLQLSFCTDLEIPHFFCELNEMIHLACSDTFVNNMVMHFAAVLLDGGPLVGILYSYCRIVSSIRAISSTQGKYKALSTCASHLSVVSIFYGTGLGVYLSSTMTQNLHSTAVASVMYTVVTPMLNPFIYSLRNKDIKGALTQFFRGKQ
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)
----------MVKAG
N
--
E
T
Q
I
S
E
F
L
L
-----LGFS--
E
--
K
Q
E
L
Q
P
F
-----
L
F
G
L
F
-----
L
S
M
-
Y
L
V
T
---
V
L
G
N
L
L
I
I
L
A
A
IS
D
S
C
L
H
T
P
M
Y
F
F
L
----------SNLS
F
V
D
I
C
F
A
S
T
M
-
V
P
K
M
L
V
N
I
---QTQS
K
V
I
T
Y
A
G
C
I
T
Q
M
C
F
F
V
L
F
I
V
L
D
S
L
L
L
T
V
M
A
Y
D
Q
F
V
A
I
CHP
L
H
Y
T
V
I
M
S
P
Q
L
C
G
L
L
V
L
V
S
W
I
M
S
V
-
L
N
S
M
L
Q
S
L
-
V
T
L
Q
L
S
FCTDLE
I
P
H
--
F
F
C
E
-
L
N
-----
E
M
I
H
LAC-------
S
-------
D
T
F
V
N
N
M
V
M
H
F
A
A
V
L
LDGG
P
L
V
G
I
L
Y
S
Y
C
R
I
V
S
S
I
R
A
-
I
S
S---------------------T--------------------QG----
K
Y
-----
K
A
L
S
T
C
A
S
H
L
S
V
V
S
I
F
YGTG
L
G
V
Y
L
S
S
T
M
T
-
Q
--------
N
------
L
H
-------
S
T
A
V
A
S
V
M
Y
T
----
V
--
V
T
-
P
M
L
N
P
F
I
Y
S
L
RNK
D
I
K
G
A
L
T
Q
F
FRGKQ-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
91.42
22%
-140
- C2 -
4GBR
1
ADRB2_HUMAN
A:
[17-282]
--------------------------------------------------------------------
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
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C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
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I
A
V
D
R
Y
F
A
I
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P
F
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Y
Q
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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
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
88.59
18%
-139
- C2 -
2Z73
5
OPSD_TODPA
A:
[33-332]
--------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
87.76
15%
-127
- C2 -
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
LA
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
DYYTPH
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
---------------------
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
NPSTTVSKTETS
Q
V
A
P
A------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
86.73
18%
-133
- C2 -
2KS9
1
NK1R_HUMAN
A:
[35-323]
-----------------------------------------------------
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
LYLKKF
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
85.35
18%
-125
- C2 -
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
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L
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I
A
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D
R
Y
F
A
I
T
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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
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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
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
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---------------------
30
HHSearch
80.56
16%
-133
- C2 -
1U19
14
OPSD_BOVIN
A:
[40-325]
---------------------------------------------
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
QQESA
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
80.36
14%
-122
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
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
YL
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
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
NPLGDDEA
S
T
T
V
S
K
TETSQVAPA------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
77.06
16%
-125
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[37-323]
-------------------------------------------
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
-
R
TQVIQE
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
76.20
15%
-133
* C1 *
4L9B
5
?
A:
[2-393]
----------
V
L
K
G
I
N
FP
E
N
E
A
S
I
L
D
L
A
M
QN
R
S
G
V
L
--
D
--
G
M
T
I
D
I
L
NTTSN
Q
L
A
L
F
H
G
T
A
V
L
Q
G
-
Y
G
I
E
---
I
T
G
A
P
D
V
L
V
D
T
T
G
Q
S
N
E
T
M
L
L
C
L
T
I
D
LN
Q
V
N
V
PSG
T
A
V
D
Y
K
Q
I
R
L
E
F
L
D
-
V
P
T
L
L
K
Q
Y
WRD
H
S
L
H
D
L
I
D
P
R
R
V
I
S
M
P
L
Y
W
I
T
F
G
Q
T
G
T
T
P
L
Y
E
Q
I
K
S
N
Y
I
D
N
S
G
N
P
A
Y
G
I
A
A
R
C
E
N
F
N
H
F
I
N
K
V
A
V
Q
S
I
P
I
N
G
V
A
N
R
P
-
V
S
S
T
A
S
Q
L
T
N
Y
K
V
W
R
NP
Y
L
C
S
-
Q
D
PRDKF
A
P
D
N
L
V
I
-------
E
-------
E
D
G
I
Y
R
I
D
I
S
G
S
I
N
I
A
N
Y
T
F
P
A
R
V
G
G
R
Y
F
Q
I
V
C
A
R
N
S
-
S
A
N
NLAEFGAE
Q
H
L
P
P
S
GVWTRRV
L
--------------------
V
G
----
E
Y
-----
T
A
G
M
T
E
Q
A
F
S
S
V
A
T
I
S
L
F
K
G
D
N
F
F
L
Q
F
E
T
G
-
T
--------
N
------
T
S
-------
R
D
S
A
Y
N
N
G
Y
G
----
T
--
S
G
-
T
H
L
R
N
F
S
Y
T
L
E
R
V
G
D
L
N
G
T
A
Y
Y
D
N
G
T
F
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
74.63
22%
-144
- C2 -
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
74.05
22%
-149
- C2 -
2RH1
6
ADRB2_HUMAN (first)
A:
[36-234]
--------------------------------------------
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
72.62
22%
-149
- C2 -
3PDS
4
ADRB2_HUMAN (first)
A:
[5-203]
--------------------------------------------
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
C
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
72.56
24%
-151
- C2 -
4LDO
3
A:
[186-376]
-------------------------------------------------------
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
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
--------------------
F
A
----
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
72.22
24%
-149
- C2 -
4LDE
3
A:
[186-376]
-------------------------------------------------------
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
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
--------------------
F
A
----
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
71.57
15%
-121
- C2 -
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
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
NTNG
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
LK
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
KRW
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
4
PsiBlast_PDB
71.51
24%
-154
- C2 -
4LDL
3
ADRB2_HUMAN
A:
[186-376]
-------------------------------------------------------
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
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
--------------------
F
A
----
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
71.17
22%
-156
- C2 -
3NYA
3
ADRB2_HUMAN (first)
A:
[40-235]
-----------------------------------------------
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
W
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
70.96
24%
-152
- C2 -
4QKX
2
ADRB2_HUMAN
A:
[186-376]
-------------------------------------------------------
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
C
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
--------------------
F
A
----
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
70.83
22%
-158
- C2 -
3NY9
4
ADRB2_HUMAN (first)
A:
[40-235]
-----------------------------------------------
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
W
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
70.79
22%
-155
- C2 -
3D4S
6
ENLYS_BPT4
A:
[40-235]
-----------------------------------------------
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
W
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------