@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 : OR1FC_HUMAN: (2016-01-12 )
MEGKNQTNISEFLLLGFSSWQQQQVLLFALFLCLYLTGLFGNLLILLAIGSDHCLHTPMYFFLANLSLVDLCLPSATVPKMLLNIQTQTQTISYPGCLAQMYFCMMFANMDNFLLTVMAYDRYVAICHPLHYSTIMALRLCASLVAAPWVIAILNPLLHTLMMAHLHFCSDNVIHHFFCDINSLLPLSCSDTSLNQLSVLATVGLIFVVPSVCILVSYILIVSAVMKVPSAQGKLKAFSTCGSHLALVILFYGAITGVYMSPLSNHSTEKDSAASVIFMVVAPVLNPFIYSLRNNELKGTLKKTLSRPGAVAHACNPSTLGGRGGWIMRSGDRDHPG
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--------....---...-----------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------MEGKNQT
N
I
S
E
F
L
L
LGFS
S
W
--
Q
Q
Q
Q
V
L
--
L
F
A
---
L
F
L
C
L
Y
L
T
G
L
---
F
G
N
L
L
I
L
L
-
A
IGSDHCLH
T
P
M
Y
F
F
L
A
N
L
S
L
V
D
LCLPSA
T
-
V
P
K
M
L
L
N
I
QTQTQ-TISY
P
G
C
L
A
Q
M
Y
-
F
C
M
M
F
ANM-D
N
F
L
L
T
-------
V
M
AYD
R
Y
V
A
I
CHP
L
-
H
------
Y
S
T
I
M
A
L
R
-
L
C
A
S
L
V
A
A
P
W
V
I
A
I
L
--
N
P
L
L
H
T
L
M
M
A
H
L
H
FC-SD
N
V
I
H
H
F
F
CD
I
N
SLLPLSCS-------DT-------S
L
N
Q
L
S
V
L
A
T
V
G
L
I
F
-
V
V
-
P
S
V
C
I
----
L
V
S
Y
I
L
I
-
V
S
A
V
M
-------------KV-------P-----------SA-----------------------------------------------------------------------------------------------------------------------------------------------------------------Q--------G
K
L
K
A
F
S
T
-
C
-
G
S
H
L
A
------------------
L
V
I
L
-
F
Y
G
A
I
T
G
V
YM---SPLSNH-S------------T------E-KDSA
A
S
V
I
F
M
V
V
A
P
V
L
N
-----
P
F
I
Y
S
LRNN
E
L
K
G
T
L
K
K
T
LSRPG--
A
V
AHACNPSTLGGRG
G
W
I
M
RS----------GDRD---HPG-----------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
85.20
19%
-109
- C4 -
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
TSDEY
L
R
S
Y
F
I
Y
S
M
C
T
T
V
A
M
-
F
-
C
V
-
P
L
V
L
I
----
L
G
C
Y
G
L
I
-
V
R
A
L
I
Y
K
M
K
K
Y
T
C
TVCG
Y
I
Y
-------
N
-----------
P
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
D
--------
G
D
P
D
N
G
V
N
-
P
-
G
T
D
F
K
------------------
D
I
V
C
-
P
L
C
G
V
G
K
D
Q
F
---
E
E
V
E
E
P
-
L
------------
R
------
R
-
K
S
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
Y
-----
I
P
F
H
V
M
K
T
M
N
L
R
A
R
L
D
F
Q
T
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
LA
G
D
T
F
---
R
R
R
-----------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
82.07
16%
-147
- C4 -
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
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
------------
L
YLKKFI
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
-----------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
81.51
17%
-128
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNFYV
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
L
AE
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
AASATTQ
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
----------
T
S
Q
V
---
A
P
A
-----------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
81.42
17%
-151
* C4 *
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
P
-
L
EWV---------
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
E
D
D
K
D
A
E
T
E
I
P
----------
A
G
E
------------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
80.75
16%
-118
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFYV
P
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
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
AQQQESA
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
T
V
S
----------
K
T
E
T
SQV
A
P
A
-----------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
79.50
20%
-144
- C4 -
1U19
14
OPSD_BOVIN
A:
[41-328]
-------------------------------------
S
M
--
L
A
A
---
Y
M
F
L
L
I
M
L
G
F
---
P
I
N
F
L
T
L
Y
-
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
H
G
Y
F
-
V
F
G
P
T
G
C
N
L
E
G
F
-
F
A
T
L
G
G
E
I
-
A
L
W
S
L
V
-------
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
-
S
------
N
F
R
-
F
G
E
N
-
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
--
C
A
A
P
P
L
V
G
W
S
R
Y
I
P
E
-----
G
M
Q
C
S
C
G
I
D
Y
Y
T
P
---
H
-------
E
E
-------
T
N
N
E
S
F
V
I
Y
M
F
V
V
H
F
-
I
I
-
P
L
I
V
I
----
F
F
C
Y
G
Q
L
-
V
F
T
V
K
-------------
E
A
-------
A
-----------
A
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
QESA
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
DF----------
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
T
V
S
K
T
E
T
S
Q
V
A
----------
P
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
77.54
20%
-141
- C4 -
3V2Y
1
ENLYS_BPT4
A:
[62-495]
-----------------------------------
S
I
K
L
--
T
S
V
---
V
F
I
L
I
C
C
F
I
I
---
L
E
N
I
F
V
L
L
-
T
I
W
K
T
K
K
F
H
R
P
M
Y
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
V
A
Y
-
T
A
N
L
L
L
S
G
A
-
T
T
Y
-
K
L
T
P
A
Q
W
F
L
R
E
G
-
S
M
F
V
A
L
S
A
-
S
V
F
S
L
L
-------
A
I
A
I
E
R
Y
I
T
M
L
K
---------------
N
N
F
-
R
L
F
L
L
I
S
A
C
W
V
I
S
L
I
--
L
G
G
L
P
I
M
G
W
N
C
I
S
--------
A
L
S
S
C
S
T
V
L
P
L
----------------------
Y
H
K
H
Y
I
L
-
F
C
T
T
V
F
-
T
L
-
L
L
L
S
I
----
V
I
L
Y
C
R
I
-
Y
S
L
V
R
-------------
T
R
-------
N
-----------
I
F
E
M
L
R
IDEGLRL
K
I
Y
K
D
TE
G
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
TGTWDAYA
S
R
S
S
--------
E
N
V
A
L
L
K
T
-
V
-
I
I
V
L
S
------------------
V
F
I
A
-
C
W
A
P
L
F
I
L
L
L
---
L
D
V
G
C
K
-
V
KT----------
C
D
I
----
L
-
F
R
A
E
Y
F
L
V
L
A
V
L
N
S
G
T
N
-----
P
I
I
Y
T
L
T
N
K
E
M
R
R
A
F
I
R
I
M
G
R
P
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
75.11
16%
-115
- C4 -
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
TEGYYTIGIGHLLTKS
P
S
L
N
-
A
A
K
S
E
L
D
K
A
I
---
G
R
N
T
N
G
-
V
------------
I
------
T
-
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
-----
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
--
I
N
M
V
F
Q
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
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-----------------------------------
44
Fugue
73.03
15%
-125
- C4 -
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
GI
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
GVIT
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
L
D
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
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
15
PsiBlast_PDB
72.78
24%
-137
- C4 -
2YCX
3
ADRB1_MELGA
A:
[9-239]
-----------------------------
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
72.17
18%
-132
- C4 -
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
-
T
QVIQE
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
70.93
24%
-146
- C4 -
2YCZ
2
ADRB1_MELGA
A:
[9-239]
-----------------------------
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
70.23
24%
-143
- C4 -
2YCW
7
ADRB1_MELGA
A:
[8-239]
----------------------------
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
69.93
24%
-148
- C4 -
2YCY
6
ADRB1_MELGA
A:
[10-239]
------------------------------
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
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
----------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
68.16
24%
-154
- C4 -
2VT4
8
ADRB1_MELGA
A:
[10-239]
------------------------------
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
67.79
26%
-146
- C4 -
4LDL
3
ADRB2_HUMAN
A:
[197-403]
--------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
67.77
19%
-146
- C2 -
3C24
4
?
A:
[6-285]
--------------
K
N
D
V
G
P
K
T
V
A
I
L
G
A
G
G
K
M-
G
A
R
I
T
R
--
K
I
H
D
SA
H
H
L
A
A
I
E
I
A
P
---
E
G
R
D
R
L
Q
G
M
G
I
P
L
-----
T
D
G
D
G
W
I
D
E
A
D
V
V
V
L
A
L
P
D
N
I
-
I
E
K
V
A
E
D
I
V
P
R
V
R
-----
P
G
T
I
V
L
I
L
D
A
A
A
P
Y
A
G
V
M
P
E
-------------
R
A
D
I
T
Y
F
I
G
H
P
C
-
H
PPLFND
E
T
D
P
A
A
R
T
-
D
Y
H
G
G
I
A
K
Q
A
I
V
C
A
L
MQ
G
P
E
E
H
Y
A
I
G
A
D
I
C
E
T
M
W
S
P
V
T
R
T
H
R
--------------------
V
-------
T
T
E
Q
L
A
I
L
E
P
-
G
L
S
E
M
V
A
M
P
-----------
F
V
E
T
M
V
H
A
V
D
-------------
E
C
-------
A
-----------
D
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
--------
G
I
D
R
Q
A
A
L
D
F
M
I
G
H
L
N
------------------
V
E
I
A
M
W
F
G
Y
---------
S
P
K
V
A
A
-
L
------------
R
------
L
M
E
F
A
K
D
I
V
-------
V
K
E
-----
D
W
R
E
A
L
N
P
A
K
V
K
Q
A
A
E
L
I
A
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
67.75
26%
-149
- C4 -
4LDO
3
A:
[197-403]
--------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
67.67
23%
-150
- C4 -
3NY9
4
ADRB2_HUMAN (first)
A:
[40-262]
--------------------------------------
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
A
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
----------
A
A
L
I
---
N
M
V
-----------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
67.34
26%
-145
- C4 -
4LDE
3
A:
[197-403]
--------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------