@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 : OR2A2_HUMAN: (2016-01-12 )
MEGNQTWITDITLLGFQVGPALAILLCGLFSVFYTLTLLGNGVIFGIICLDSKLHTPMYFFLSHLAIIDMSYASNNVPKMLANLMNQKRTISFVPCIMQTFLYLAFAVTECLILVVMSYDRYVAICHPFQYTVIMSWRVCTILVLTSWSCGFALSLVHEILLLRLPFCGPRDVNHLFCEILSVLKLACADTWVNQVVIFATCVFVLVGPLSLILVSYMHILGAILKIQTKEGRIKAFSTCSSHLCVVGLFFGIAMVVYMVPDSNQREEQEKMLSLFHSVFNPMLNPLIYSLRNAQLKGALHRALQRKRSMRTVYGLCL
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)
------------MEGN
Q
T
W
I
T
D
I
T
L
--------------
L
GFQ--V
G
P
A
L
A
I
L
L
C
G
L
F
S
V
F
Y
T
L
T
L
LGN
G
V
I
F
G
I
I
C
LDSKLH
T
P
M
Y
F
F
L
S
H
L
A
I
I
D
MSYASNN-
V
P
K
M
L
A
N
L
MNQKRT
I
S
F
V
P
C
I
M
Q
T
F
L
Y
L
A
F
A
V
T
E
C
L
I
L
V
V
MSYD
R
Y
V
A
I
CHP
F
Q
Y
T
V
I
M
SW
R
V
C
T
I
L
V
L
TSWSC
G
F
A
L
S
L
V
H
E
I
L
L
L
RLPFCGPR
D
V
--
N
H
L
F
C
E
I
L
S
V
L
K
L
A
C
A
-------
D
T
W
V
N
Q
V
V
I
F
A
T
C
V
F
V
L
--
V
G
P
L
S
L
I
L
V
S
Y
M
H
I
-------
L
G
A
----
I
L
K
-------
I
QTKE--------------------G--------
R
-
I
K
A
F
S
T
C
S
--------------
S
H
L
C
------------
V
V
G
L
F
------
F
G
I
A
M
V
V
Y
MVPD--S---N---------
Q
------
R
E
E
Q
E
K
-----------
M
L
----------
S
L
----------
F
H
S
V
F
N
P
M
L
N
P
L
I
Y
S
-
L
R
N
A
Q
L
K
G
A
L
----
H
R
A
L
Q
R
K
R
------------
S
M
R
T
V
YGLCL------------------------
47
Fugue
87.22
17%
-134
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
------------
M
N
G
T
E
G
P
N
F
Y
V
P
F
SNKTGVVRSPFEAP
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
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
Q
G
S
DFGPIFM----
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
V
S
K
T
E
TS
Q
V
A
P
A-----------------
5
PsiBlast_PDB
83.61
22%
-166
- C3 -
3SN6
1
R:
[197-490]
-----------------------------------------------------------------
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
---
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
AKRQ
L
Q
K
-------
I
D
K
S
E
--------------------
G
--------
R
--------------------------
C
LKEHKALKTLGI
I
M
G
T
F
TLCWLP
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
-------------------------------------------------
35
HHSearch
82.90
18%
-139
- C3 -
2KS9
1
NK1R_HUMAN
A:
[35-325]
-----------------------------------------------------
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
G
DSSDRYH
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
DLYLKK
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
------------------------
1
PsiBlast_PDB
82.69
23%
-155
- C3 -
4GBR
1
ADRB2_HUMAN
A:
[20-286]
-----------------------------------------------------------------
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
-------
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
------------------------------------------------
54
Fugue
82.08
17%
-145
- 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
K
S
L
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
MF
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
PEDGDPDNGVNPGT
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
DFQT
P
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
46
Fugue
82.02
15%
-132
- C3 -
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
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
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
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
QGSDFGPIFM
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
T
E
T
S
Q
V
A
P
A-----------------------
38
HHSearch
81.74
17%
-136
- C3 -
2Z73
5
OPSD_TODPA
A:
[33-334]
-------------------------------------------------
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
PLE------
W
------
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
D
D
K
E
T
------------------------
2
PsiBlast_PDB
80.85
22%
-148
- C3 -
4LDE
3
A:
[197-463]
-----------------------------------------------------------------
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
L
------------------------------------------------
36
HHSearch
80.35
16%
-134
- C3 -
1U19
14
OPSD_BOVIN
A:
[42-328]
----------------------------------------------------
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--
S
---------
D
------
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
D
E
A
S
T
------------------------
4
PsiBlast_PDB
80.01
22%
-148
- C3 -
4LDO
3
A:
[197-463]
-----------------------------------------------------------------
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
L
------------------------------------------------
6
PsiBlast_PDB
79.84
22%
-151
- C3 -
4QKX
2
ADRB2_HUMAN
A:
[197-463]
-----------------------------------------------------------------
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
L
------------------------------------------------
3
PsiBlast_PDB
79.73
22%
-149
- C3 -
4LDL
3
ADRB2_HUMAN
A:
[197-463]
-----------------------------------------------------------------
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
L
------------------------------------------------
19
PsiBlast_PDB
74.85
20%
-150
- C3 -
2RH1
9
ADRB2_HUMAN (first)
A:
[55-321]
-----------------------------------------------------------------
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
LN
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
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
L
D
A
V
R
R
------------
A
A
L
I
N
M
V
F
Q
M
------------------------
20
PsiBlast_PDB
74.61
20%
-155
- C3 -
3PDS
4
ADRB2_HUMAN (first)
A:
[24-290]
-----------------------------------------------------------------
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
LN
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
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
L
D
A
V
R
R
------------
A
A
L
I
N
M
V
F
Q
M
------------------------
14
PsiBlast_PDB
74.38
20%
-148
- C3 -
4U14
1
ENLYS_BPT4
A:
[25-289]
---------------------------------------------------------------
V
T
I
I
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
L
A
C
A
D
L
I
I
G
V
I
S
-
M
N
L
F
T
T
Y
I
I
M
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
D
R
Y
F
S
I
T
R
P
L
T
Y
R
A
K
R
T
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
L
-
W
A
P
A
I
L
F
W
Q
Y
-
F
V
G
K
R
T
V
PP
G
E
C
F
I
Q
F
L
S
------------------
E
P
T
I
T
F
G
T
A
I
A
A
F
--
Y
M
P
V
T
I
M
T
I
L
Y
W
R
I
-------
Y
K
E
----
T
E
K
M
N
C
F
E
M
-
L
R
I
D
E
--------------------
G
L-------
R
-
L
K
I
Y
K
D
C
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
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
L
D
A
V
R
R
------------
C
A
L
I
N
M
V
F
Q
M
------------------------
18
PsiBlast_PDB
74.23
20%
-157
- C3 -
3NYA
3
ADRB2_HUMAN (first)
A:
[56-322]
-----------------------------------------------------------------
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
LN
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
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
L
D
A
V
R
R
------------
A
A
L
I
N
M
V
F
Q
M
------------------------
17
PsiBlast_PDB
74.04
20%
-158
- C3 -
3NY9
4
ADRB2_HUMAN (first)
A:
[56-322]
-----------------------------------------------------------------
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
LN
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
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
L
D
A
V
R
R
------------
A
A
L
I
N
M
V
F
Q
M
------------------------
15
PsiBlast_PDB
74.00
20%
-157
- C3 -
3D4S
6
ENLYS_BPT4
A:
[56-322]
-----------------------------------------------------------------
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
QLN
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
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
L
D
A
V
R
R
------------
A
A
L
I
N
M
V
F
Q
M
------------------------
16
PsiBlast_PDB
72.66
20%
-156
- C3 -
3NY8
7
ENLYS_BPT4
A:
[56-322]
-----------------------------------------------------------------
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
LN
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
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
L
D
A
V
R
R
------------
A
A
L
I
N
M
V
F
Q
M
------------------------
34
HHSearch
70.05
17%
-129
- C3 -
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
RT
Q
VIQE
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
----------------------------------------------