@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 : OR1K1_HUMAN: (2016-01-12 )
MEAANESSEGISFVLLGLTTSPGQQRPLFVLFLLLYVASLLGNGLIVAAIQASPALHAPMYFLLAHLSFADLCFASVTVPKMLANLLAHDHSISLAGCLTQMYFFFALGVTDSCLLAAMAYDCYVAIRHPLPYATRMSRAMCAALVGMAWLVSHVHSLLYILLMARLSFCASHQVPHFFCDHQPLLRLSCSDTHHIQLLIFTEGAAVVVTPFLLILASYGAIAAAVLQLPSASGRLRAVSTCGSHLAVVSLFYGTVIAVYFQATSRREAEWGRVATVMYTVVTPMLNPIIYSLWNRDVQGALRALLIGRRISASDS
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)
-------------------------------------------------MEAANESSE
G
I
S
F
V
L
L
G
L
TTS----------------PGQQ
R
P
L
F
V
L
F
L
L
L
Y
V
A
S
L
LG--N
G
L
I
V
A
A
IQASPA------------
L
H
A
P
M
Y
F
L
L
A
H
L
S
F
A
D
L
C
F
A
SV
T
-
V
P
K
M
L
A
N
L
L
AH-DHS
I
S
L
A
G
C
L
T
Q
M
Y
F
F
F
-ALGV---
T
D
S
C
-
L
L
A
A
M
A
Y
--
D
C
Y
V
A
IRHPL
P
Y
A
T
R
M
-----
S
R
A
M
C
A
A
L
V
G
M
A
W
L
V
S
H
V
H
S
----
L
L
Y
I
--------------
L
L
-
M
A
R
L
---
S
F
C
A
SHQV
P
H
F
F---------------CDHQ-------
P
L
L
R
L
SC-------S-------DT
H
--
H
I
Q
L
L
I
FTEG---------------------
A
A
V
V
--
V
T
------
P
F
L
L
I
----
L
AS
Y
G
A
I
A
A
A
V
L
QLPSA--------------------SG----
R
L
R
--------
A
V
S
T
CG------------------
S
H
L
A
V
V
S
L
F
Y
G
-
T
V
I
A
V
Y
F
QATSRRE----------A---E---WG
R
-------
V
A
T
V
M
Y
--
T
V
V
T
P
M
L
N
P
I
----
I
Y
S
L
WN---------
R
D
V
Q
G
A
L
R
A
L
L
IGRRISASDS--------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
91.10
16%
-131
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-----------------------------------------------------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
GVVRSPFEAPQYYLAE
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
SKTETS
Q
V
A
P
A---------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
90.22
24%
-169
- C3 -
2YCW
7
ADRB1_MELGA
A:
[17-297]
--------------------------------------------------------------------------------------------
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
LV--------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
89.51
24%
-167
- C3 -
2YCZ
2
ADRB1_MELGA
A:
[17-297]
--------------------------------------------------------------------------------------------
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
LV--------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
88.88
24%
-166
- C3 -
2YCX
3
ADRB1_MELGA
A:
[17-294]
--------------------------------------------------------------------------------------------
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
LV--------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
88.46
24%
-168
- C3 -
2VT4
8
ADRB1_MELGA
A:
[17-297]
--------------------------------------------------------------------------------------------
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
SF
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
LV--------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
87.25
17%
-152
- C3 -
2Z73
5
OPSD_TODPA
A:
[32-333]
---------------------------------------------------------------------------------------
A
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
86.56
24%
-165
- C3 -
2YCY
6
ADRB1_MELGA
A:
[17-297]
--------------------------------------------------------------------------------------------
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
LV--------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
81.87
15%
-127
- 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
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
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
---
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
L
G
D
D
EA
S
T
T
V
S
K
TETSQVAPA---------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
81.74
15%
-155
* C3 *
2KS9
1
NK1R_HUMAN
A:
[33-325]
------------------------------------------------------------------------------------------
V
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
YLK
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
81.10
17%
-139
- C3 -
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
GR
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
29
HHSearch
76.63
14%
-142
- C3 -
1U19
14
OPSD_BOVIN
A:
[41-329]
------------------------------------------------------------------------------------------
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
SDF-------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
76.62
17%
-137
- 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
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
LAGDTFRRR-----------------------------------------------------------------------------------------------------------------------------
31
HHSearch
76.24
20%
-137
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[38-323]
----------------------------------------------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
74.36
18%
-139
- C2 -
4UOX
9
PAT_ECOLI
A:
[7-459]
SAS
A
L
A
C
S
A
H
A
L
N
L
I
E
KRTLD
H
E
E
M
K
A
L
N
R
E
V
I
E
Y
F
K
E
HVN
P
G
F
L
E
Y
R
K
S
V
T
A
G
G
D
Y
G
A
V
E
W
Q
A
G
S
L
N
T
L
----------------
V
D
T
Q
G
Q
E
F
I
D
C
L
G
G
F
G
I
F
N
V
G
HR
N
P
V
V
V
S
A
V
Q
N
Q
L
A
K
QPLHSQELLD
P
L
R
A
M
L
A
K
T
L
A
A
L
T
P
G
K
L
K
Y
S
F
F
C
-
N
S
G
T
E
S
V
E
A
A
L
-
K
L
A
K
A
Y
Q
S
P
R
G
K
F
T
F
I
A
-
T
S
G
A
FHG
K
S
L
G
-
A
L
S
A
T
A
K
--
S
T
F
R
K
P
F
M
P
L
L
P
G
F
R
H
V
PFGN
I
E
A
M
R
T
A
L
N
E
C
K
K
T
G
D
D
V
A
A
----
V
I
L
E
PIQGEGGVILPPPG
Y
L
-
T
A
V
R
---
K
L
C
D
E
F
G
A
L
M
I
L
D
EVQTGMGRTGKMFA
C
E
H
E
NVQPD
I
L
C
L
A
K
A
L
G
-------
G
-------
G
V
M
--
P
I
G
A
T
I
A
T
E
E
VFSVLFDNPFL
H
T
T
T
FGGN
P
L
A
C
A
A
--
A
L
------
A
T
I
N
V
----
L
L
E
Q
N
L
P
A
Q
A
E
Q
K
G
D
M
L
--------------------
L
D
----
G
F
R
--------
Q
L
A
R
E
Y
------------------
P
D
L
V
Q
E
A
R
G
K
G
-
M
L
M
A
I
E
F
V
D
N
E
I
G
Y
----------
N
---
F
---
A
S
E
-------
M
F
R
Q
R
V
--
L
V
A
G
T
L
N
N
A
K
----
T
I
R
I
E
P
PLTLT
I
E
Q
C
E
L
V
I
K
A
A
R
K
A
L
A
A
M
R
V
S
V
E
E
A
--------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
73.55
22%
-174
- C3 -
3EML
8
ENLYS_BPT4
A:
[22-221]
------------------------------------------------------------------------------------------
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
VV
P
M
N
Y
M
V
Y
F
N
F
---------------------
F
A
C
V
--
L
V
------
P
L
L
L
M
----
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
N
I
--------------------
F
E
----
M
L
R
--------
I
D
E
G
L
R
------------------
L
K
I
Y
K
D
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
72.53
20%
-168
- C3 -
2RH1
6
ADRB2_HUMAN (first)
A:
[36-235]
---------------------------------------------------------------------
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
A
K
L
K
P
V
--------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
71.90
23%
-171
- C3 -
3EML
8
ENLYS_BPT4
A:
[29-212]
-------------------------------------------------------------------------------------------------
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
GQS
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
71.25
23%
-166
- C3 -
3QAK
1
ENLYS_BPT4
A:
[29-212]
-------------------------------------------------------------------------------------------------
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
G
C
G
E
G
Q
V
A
C
L
F
---------------
E
D
V
V
-------
P
M
---------------------------
N
Y
M
V
Y
F
N
F
---------------------
F
A
C
V
--
L
V
------
P
L
L
L
M
----
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
N
I
--------------------
F
E
----
M
L
R
--------
I
D
E
G
L
R
------------------
L
K
I
Y
K
D
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
66.52
20%
-163
- C3 -
3RZE
2
ENLYS_BPT4 (first)
A:
[10-200]
-------------------------------------------------------------------------------------------
P
L
V
V
V
L
S
T
I
C
L
V
T
V
G
L
--
N
L
L
V
L
Y
A
V
R
S
E
R
K
------------
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
V
V
-
M
P
M
N
I
L
Y
L
L
M
S
-
K
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
-
V
A
S
T
---
A
S
I
F
-
S
V
F
I
L
C
I
--
D
R
Y
R
S
V
Q
Q
P
L
R
Y
L
K
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
66.34
14%
-144
- C4 -
3V3T
-
?
A:
[1-306]
-------------------------------------------------
M
K
N
K
--------
I
V
F
A
P
I
--------------------
G
Q
G
G
G
N
I
V
D
T
L
L
G
I
C
G
D
Y
N
A
--
L
F
I
N
T
S
K
K
D
L
D
S
L
------------
K
H
A
K
H
T
Y
H
I
P
K
E
R
K
K
A
V
G
Y
A
Q
T
Y
-
Y
K
Q
I
I
A
Q
I
M
E
K
-
F
S
S
C
D
I
V
I
F
V
A
T
M
A
G
G
A
-
G
S
G
I
---
T
P
P
I
-
L
G
L
A
K
Q
M
Y
P
N
K
H
F
G
F
V
G
V
L
P
K
A
T
E
D
-----
I
D
E
H
M
N
A
I
A
C
W
N
D
I
M
R
S
T
N
E
GKD
I
S
I
Y
L
--------------
L
D
-
N
N
K
R
---
E
K
-
E
S
D
I
N
K
E
F
A
---------------
T
L
F
N
-------
D
F
M
N
M
S
E
-------
S
HAEGVV-
D
E
D
--
E
I
S
K
L
L
T
M
K
K
---------------------
S
N
V
I
--
L
E
----------------
F
D
D
K
E
D
I
Q
V
A
L
A
K
S
L
K
--------------------
E
S
----
I
F
A
--------
E
Y
T
T
N
T
------------------
C
E
F
M
G
I
S
T
T
R
V
V
D
V
E
A
I
K
S
I
V
G
Y
P
R
R
----------
T
---
F
---
K
G
Y
-------
N
S
K
K
N
I
--
V
V
A
T
G
I
E
P
Q
-----------------------
K
T
T
V
Q
M
M
N
E
I
I
E
D
K
M
K
Q
R
--------------------------------------------------------------------------------------------------------------------------------------------------------