@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 : O52B2_HUMAN: (2016-01-12 )
MSHTNVTIFHPAVFVLPGIPGLEAYHIWLSIPLCLIYITAVLGNSILIVVIVMERNLHVPMYFFLSMLAVMDILLSTTTVPKALAIFWLQAHNIAFDACVTQGFFVHMMFVGESAILLAMAFDRFVAICAPLRYTTVLTWPVVGRIALAVITRSFCIIFPVIFLLKRLPFCLTNIVPHSYCEHIGVARLACADITVNIWYGFSVPIVMVILDVILIAVSYSLILRAVFRLPSQDARHKALSTCGSHLCVILMFYVPSFFTLLTHHFGRNIPQHVHILLANLYVAVPPMLNPIVYGVKTKQIREGVAHRFFDIKTWCCTSPLGS
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.--------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------------MSHT
N
V
T
I
F
H----------P
A
V
F
V
LPGIP-GL
E
A
Y
H
I
W
LS
I
P
L
C
L
I
Y
I
T
A
V
LGN
S
I
L
I
V
V
I
V
MERNLH
V
P
M
Y
F
F
L
S
M
L
A
V
M
D
I
L
LSTTT-V
P
K
A
L
A
----------
I
----------
F
----
W
-
L
QAHNI
A
F
D
A
C
VTQ
G
F
F
V
H
M
M
F
VGE
S
A
I
L
L
A
M
A
F
D
R
F
V
A
I
CAP
L
R
Y
T
T
V
---L
T
W
P
V
V
G
R
I
A
L
A
V
-
I
T
R
S
F
C
I
I
F
P
V
I
F
L
L
K
RL
P
-----
F
C
L
T
NIV
P
H
S
Y
C
E
H
IG-
V
-
A
R
L
-----
A
C
A
D
I
-
T
V
N
I
W
-YG-------F
S
V
P
I
V
M
V
I
L
D
V
I
L
I
A
V
S
Y
S
L
I
L
R
A
V
F
R-LPS-----------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
-----
A
R
H
K
A
L
S
T
C
G
S
H
L
C
V
I
L
M
F
Y
V
P
S
F
F
T
L
L
T
H
H
FGRN----------
I
--------
P
-
Q
--
H
V
H
I
L
L
A
N
L
---------
Y
VAVPP
M
L
N
P
I
V
YGV
K
T
K
Q
I
R
E
G
V
A
H
R
F
F
D
I
K
T
W
CCTSPLGS--------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
94.74
22%
-170
- C1 -
2RH1
16
ADRB2_HUMAN (first)
A:
[42-477]
--------------------------------------------------
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
TEGYYTIGIGHLLTKSPS
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
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
TGTWDAYKFC--
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
91.70
18%
-163
- 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
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
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
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
TGTWDAYPP
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
90.67
18%
-164
* 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
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
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
T
GTWDAYGVP
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
86.26
18%
-161
- C1 -
3RZE
5
ENLYS_BPT4 (first)
A:
[11-443]
---------------------------------------------------
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
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
TGTWDAYLHM--
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
85.04
24%
-179
- C1 -
4QKX
2
ADRB2_HUMAN
A:
[179-447]
---------------------------------------------
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
T
KTWTFG
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KFAL-
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
84.82
19%
-171
- C1 -
3EML
13
ENLYS_BPT4
A:
[22-472]
-------------------------------------------------
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
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
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
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
TGTW
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
CS--------
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
---------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
82.93
22%
-189
- C1 -
2VT4
8
ADRB1_MELGA
A:
[10-283]
-----------------------------------------------
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
GT
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
D
E
D
P
-
Q
-
A
L
K
C
Y
Q
DP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
82.82
24%
-182
- C1 -
4GBR
1
ADRB2_HUMAN
A:
[2-270]
---------------------------------------------
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
T
KTWTFG
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
KFC
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
82.11
18%
-155
- C1 -
2Z73
5
OPSD_TODPA
A:
[34-334]
------------------------------------------------
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
L
E---------
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
--------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
82.07
24%
-183
- C1 -
4LDL
3
ADRB2_HUMAN
A:
[179-447]
---------------------------------------------
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
T
KTWTFG
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KFA
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
81.71
24%
-182
- C1 -
4LDO
3
A:
[179-447]
---------------------------------------------
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
T
KTWTFG
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KFAL-
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
81.52
24%
-181
- C1 -
4LDE
3
A:
[179-447]
---------------------------------------------
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
T
KTWTFG
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KFAL-
K
E
H
K
A
L
K
T
L
G
I
I
M
G
T
F
T
L
C
W
L
P
F
F
I
V
N
I
V
H
V
I
Q
D
N
L---------
I
--------
R
-
K
--
E
V
Y
I
L
L
-
N
W
---------
I
G
Y
V
N
S
G
F
N
P
L
I
Y
C
R
S
P
D
F
R
I
A
F
Q
E
L
L
C
L
---------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
81.13
22%
-180
- C1 -
2YCX
3
ADRB1_MELGA
A:
[9-283]
----------------------------------------------
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
GT
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
D
E
D
P
-
Q
-
A
L
K
C
Y
Q
DP
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
80.66
22%
-185
- C1 -
2YCW
7
ADRB1_MELGA
A:
[8-283]
---------------------------------------------
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
RGT
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
D
E
D
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
79.51
15%
-140
- C1 -
1F88
8
OPSD_BOVIN
A:
[1-348]
------------
M
N
G
T
E
G
P
N
F
Y
VPFSNKTGVV
R
S
P
F
E
A
P
Q
Y
Y
L
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
----------
T
----------
S
----
L
-
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
F
R
F
---
G
E
N
H
A
I
M
G
V
A
F
T
W
-
V
M
A
L
A
C
A
A
P
P
L
V
G
W
S
R
Y
I
P
E
GMQC
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
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
----------
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
S
T
T
V
S
K
T
E
TS
Q
V
A
P
A-------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
79.28
16%
-159
- C1 -
2KS9
1
NK1R_HUMAN
A:
[34-324]
--------------------------------------------------
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
PGDSSDRYH
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
YL------
K
-
K
FI
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
--------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
78.35
18%
-165
- C1 -
2LNL
-
CXCR1_HUMAN
A:
[40-322]
-------------------------------------------------
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
T
----------
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
------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
77.22
14%
-145
- C1 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFYVP
F
S
N
K
T
G
V
V
R
S
----------
P
F
E
A
P
Q
Y
Y
L
A
-
E
P
W
Q
F
S
M
L
A
A
Y
-
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
----------
T
----------
S
----
L
-
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
F
R
F
---
G
E
N
H
A
I
M
G
V
A
F
T
W
-
V
M
A
L
A
C
A
A
P
P
L
V
G
W
S
R
Y
I
P
E
GMQC
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
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
DEA
S
T
T
V
S
K
TETSQVAPA--------------------------------------------------------------------------------------------------------------------------
29
HHSearch
76.11
17%
-161
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[48-497]
------------------------------------------------
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
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
75.11
17%
-140
- C1 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
--------------------------------------------
D
E
V
W
V
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
----------
H
----------
I
----
L
-
M
K
M
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
A
R
V
I
I
L
M
V
-
W
I
V
S
G
L
T
S
F
L
P
I
Q
M
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
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
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