@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 : T2R13_HUMAN: (2016-01-14 )
MESALPSIFTLVIIAEFIIGNLSNGFIVLINCIDWVSKRELSSVDKLLIILAISRIGLIWEILVSWFLALHYLAIFVSGTGLRIMIFSWIVSNHFNLWLATIFSIFYLLKIASFSSPAFLYLKWRVNKVILMILLGTLVFLFLNLIQINMHIKDWLDRYERNTTWNFSMSDFETFSVSVKFTMTMFSLTPFTVAFISFLLLIFSLQKHLQKMQLNYKGHRDPRTKVHTNALKIVISFLLFYASFFLCVLISWISELYQNTVIYMLCETIGVFSPSSHSFLLILGNAKLRQAFLLVAAKVWAKR
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.-----------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---------MES
A
L
P
S
I
F
T
L
V
I
I
A
E
F
I
I
GNLSN
G
F
I
V
L
I
N
C
-----
I
D
W
V
S
K
R
E
L
S
S
V
-------
D
K
L
L
I
I
L
------
A
I
S
R
I
G
----
L
----
I
------
W
E
I
-
L
V
S
W
F
L
A
L
H
-
Y
-
L
A
-
I
FVSGTG
L
R
I
M
I
F
S
W
I
-
V
SNH
F
-
N
L
----
W
L
---------------
A
T
I
F
S
I
F
Y
L
L
K
I
ASFSS
P
A
F
L
Y
L
K
--
W
R
V
N
K
V
I
L
M
---
I
L
L
G
T
L
V
F
L
F
-
L
N
L
I
Q
I
N
M
-
H
I
--
K
D
W
L
D
R
YE-R----NT
T
W
------
N
-
F
S--M---SD---F
E
T
F
S
V
S
V
K
F
--------------
T
M
T
M
-----FSL
T
P
F
T
V
A
F
I
S
F
L
L
L
I
F
------------
S
L
Q
K
H
L
Q
K
M
Q
L-NY-------K-----------------------------------------------------------------------------------------------------------------------------------------------------G------------------------------------------------------------------------------------------------------------------------------------------------------H-R-DPRTK
V
H
T
N
A
L
K
I
V
I
S
F
--------
L
L
F
Y
A
S
F
F
L
C
V
---
L
I
S
-
W
---
I
---
S
---
E
-----
L
------------
Y
------QN
T
V
I
Y
M
L
C
E
T
I
GVFS---PSS
H
S
F
L
L
I
LGN
A
K
L
R
Q
-
A
F
L
L
V
A
A
K
V
WAKR-----------
27
Fugue
84.65
18%
-170
- C4 -
3EB8
-
VIRA_SHIFL
A:
[53-399]
A
E
K
H
S
E
K
K
L
M
D
S
F
S
P
S
L
S
Q
D
K
M
D
G
E
F
A
H
A
N
I
D
G
I
S
I
R
L
C
L
N
KG
I
C
S
V
F
Y
L
D
G
D
K
I
Q
S
T
Q
L
S
S
K
E
Y
N
N
L
L
S
S
L
------
P
P
K
Q
F
N
----
L
G
K
V
H
T
------
I
T
A
-
P
V
S
G
N
F
K
T
H
-
K
-
P
A
-
P
E
V
I
E
T
A
I
N
C
C
T
S
I
I
P
-
N
D
D
Y
F
-
H
V
KDTD
F
N
---------------
S
V
W
H
D
I
Y
R
D
I
R
A
S
D
S
N
S
T
K
I
Y
F
N
N
--
I
E
I
P
L
K
L
I
A
---
D
L
I
N
E
L
---------
G
I
N
E
-
F
I
DS
K
K
E
L
Q
M
L
S
-
Y
----
N
Q
V
N
------
K
-
I
I
--
N
---
S
N
---
F
P
Q
Q
D
L
C
F
Q
T
--------------
E
K
L
L
-----
F
T
S
L
F
Q
D
P
A
F
I
S
A
L
T
S
A
F
WQSLHITS
S
S
V
E
H
I
Y
A
Q
I
M
S
E
N
I
-
E
N
-------
R
-----------------------------------------------------------------------------------------------------------------------------------------------------
L
------------------------------------------------------------------------------------------------------------------------------------------------------
N
-
F
-
M
P
E
Q
R
V
I
N
N
C
G
H
I
I
K
I
N
--------
A
V
R
A
Y
E
V
S
S
S
I
---
L
P
S
-
H
---
I
---
T
---
C
-------------------------
N
G
V
G
I
N
K
I
E
T
S
Y
L
V
H
A
GTL
P
S
S
E
G
L
R
N
A
I
P
P
E
S
R
Q
V
-
S
F
A
I
I
S
P
D
----------------
33
Fugue
78.57
14%
-151
- C1 -
1D2R
-
SYW_GEOSE
A:
[1-326]
----------------------
M
K
T
I
F
S
G
I
Q
P
S
G
V
I
T
I
G
N
Y
-----
I
G
A
L
R
Q
F
V
E
L
Q
H
-------
E
Y
N
C
Y
F
C
------
I
V
D
Q
H
A
----
I
----
T
VWQD
P
H
E
L
R
-
Q
N
I
R
R
L
A
A
L
-
Y
-
L
A
-
V
G
I
D
P
T
Q
A
T
L
F
I
Q
S
E
V
P
A
H
A
Q
A
-
A
W
----
M
L
---------------
Q
C
I
V
Y
I
G
E
L
E
R
M
T
Q
F
K
E
K
S
A
G
A
A
A
--
A
A
A
G
L
L
T
Y
P
---
P
L
M
A
A
D
I
L
L
Y
N
T
D
I
V
P
V
G
E
-
D
Q
--
K
Q
H
I
E
-
L
T
-
R
----
D
L
A
E
------
R
-
F
N
--
K
---
R
Y
---
G
E
L
F
T
I
P
E
A
R
I
P
KVG
A
R
I
M
S
LVDP
T
K
K
M
-----
S
K
S
D
P
N
P
K
A
Y
I
T
L
L
D
D
A
K
------------
T
I
E
K
K
I
K
S
A
V
T
-
D
S
-------
E
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
TIR---------------------------------------------------------------------------------------------------------------------------------------------------
Y
-
D
-
K
E
A
K
P
G
I
S
N
L
L
N
I
Y
S
T
L
S
GQS
I
E
E
L
E
R
Q
Y
E
G
K
G
Y
G
V
---
F
K
A
-
D
---
L
---
A
---
Q
-----
V
------------
V
------
I
E
T
L
R
P
I
Q
E
R
Y
H
H
W
M
E
---
S
E
E
L
D
R
V
L
D
E
G
A
E
K
A
N
R
-
V
A
S
E
M
V
R
K
M
E
Q
A
M
GLGR-------
31
Fugue
74.91
22%
-158
- C3 -
3SPE
2
?
A:
[7-286]
----------
A
N
P
S
R
L
I
V
A
I
E
I
V
E
D
E
I
P
L
T
K
V
D
G
L
K
A
R
I
I
L
-----
I
E
D
-
N
T
S
E
V
G
T
Q
-------
R
V
L
P
G
T
L
VSDKDG
S
Q
S
L
V
Y
----
P
----
L
------
F
E
A
-
P
V
S
F
F
G
K
L
G
-
D
S
N
G
M
R
V
W
S
T
T
T
A
D
I
E
E
F
D
-----
E
A
A
M
A
K
----
F
K
---------------
T
R
Q
F
R
I
Q
L
I
E
K
-----
P
E
S
P
V
I
V
K
--
T
A
D
Q
Q
D
Y
L
N
---
I
T
F
D
K
G
V
Y
S
D
M
Y
N
---
A
D
L
-
Y
V
--
G
D
V
L
V
D
S
-----------------------
Y
---
S
D
---
D
G
V
V
S
-----------------------------
G
L
S
P
L
Y
S
P
F
S
Q
F
Y
V
Y
----------------
H
E
N
I
D
L
V
R
Q
M
I
Y
-------
D
-----------------------------------------------------------------------------------------------------------------------------------------------------
T
------------------------------------------------------------------------------------------------------------------------------------------------------
E
M
R
V
N
P
A
A
A
A
H
T
T
A
P
G
E
-
I
D
F
--------
L
T
F
L
A
V
D
-------------------
G
---
D
-----
P
------------
Y
------
Q
---------
G
I
Q
V
L
G
---
P
L
D
G
G
I
T
L
G
K
D
G
-------------
N
I
Y
A
S
G
GTDG-------
29
Fugue
70.51
13%
-155
- C4 -
1BK4
3
F16P1_RABIT
A:
[6-337]
----------
F
D
T
D
I
S
T
M
T
R
F
V
M
E
E
G
R
K
A
G
G
T
G
E
M
T
Q
L
L
N
S
-----
L
C
T
A
V
K
A
I
S
T
A
V
-------
R
K
A
G
I
--------------K
L
D
V
L
----
S
------
N
D
L
-
V
M
N
M
L
K
S
S
F
-
A
-
T
C
-
V
L
V
S
E
E
D
K
N
A
I
I
V
E
P
E
-
K
R
G
K
Y
-
V
V
----
C
F
D
PLDGSSNIDCLV
S
I
G
T
I
F
G
I
Y
R
K
K
S
T
-----------
D
--
E
P
S
T
K
D
A
L
Q
PGR
N
L
V
A
A
G
Y
A
L
Y
-
G
S
A
T
M
L
V
L
-
A
G
--
G
S
G
V
N
S
F
M
-
L
----
D
P
A
I
------
G
----------------
E
F
I
L
V
D
K
N
--------------
V
K
I
K
-----
K
K
G
N
I
Y
S
L
N
E
G
Y
A
K
D
F
D
P
------------
A
V
T
E
Y
I
Q
K
K
K
F
-
P
P
-------
D
-----------------------------------------------------------------------------------------------------------------------------------------------------
N
------------------------------------------------------------------------------------------------------------------------------------------------------
S
-
S
-
P
Y
G
A
R
-
Y
V
G
S
M
V
A
D
V
H
R
--------
T
L
V
Y
G
G
I
F
L
Y
P
---
A
N
K
-
K
---
S
---
P
---
D
GKLRL
L
------------
Y
------
E
C
N
P
M
A
F
I
M
E
K
A
G
G
M
A
---
T
T
G
K
E
A
I
L
D
I
V
P
T
D
I
H
Q
R
A
P
V
I
L
G
S
P
D
D
V
Q
E
F
L
E
I
Y
K
K
H
A
VK
15
HHSearch
69.48
12%
-129
- C5 -
2Z73
5
OPSD_TODPA
A:
[32-332]
------------
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
RD
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
GPLE--------
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
-----------
11
HHSearch
69.34
11%
-127
- C5 -
1U19
14
OPSD_BOVIN
A:
[41-326]
---------------
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
YTP
H
E
ET-
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
-----------
5
HHSearch
66.93
13%
-138
- C5 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-497]
-------------
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
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
TGTWD
A
-
Y
-
G
S
K
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
-----------
10
HHSearch
66.92
12%
-141
- C5 -
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
GTW--------------------------------------------------------------------------------------------------------------------------------------
D
-
A
-
Y
G
V
P
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
CQTC--------
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
----------------
4
HHSearch
65.77
11%
-139
- C5 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
----------------
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
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
TGTW--
D
-
A
-
Y
L
H
M
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
CK----------
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
----------------
14
HHSearch
63.56
11%
-133
- C5 -
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
PE-
H
P
NKI
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
D
S
-
S
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-
Y
-
H
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
-----------
13
HHSearch
62.45
11%
-132
- C5 -
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
I
-------
D
EGLRL
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
TGTW-
D
------------------------------------------------------------------------------------------------------------------------------------------------------
A
-
Y
-
A
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
VKTC--
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
--------------
12
HHSearch
61.48
12%
-133
- C5 -
2LNL
-
CXCR1_HUMAN
A:
[35-322]
----------
E
T
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
VL
G
---
N
D
TAK
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
--------------
8
HHSearch
61.02
12%
-133
- C5 -
3EML
13
ENLYS_BPT4
A:
[22-469]
---------------
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
GEGQVA
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
CPDCS-------
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
-----------
6
HHSearch
60.17
10%
-134
- C5 -
2RH1
16
ADRB2_HUMAN (first)
A:
[40-477]
--------------
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
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
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
QDN---------
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
HHSearch
58.60
9%
-139
- C5 -
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
TGTW--
D
-
A
-
Y
P
P
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
CAP---------
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
-----------------
1
PsiBlast_PDB
57.56
24%
-119
- C5 -
4KWC
1
?
A:
[104-239]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
K
A
------
N
-
F
I
--
C
---
T
D
---
I
K
N
F
S
S
H
A
K
I
--------------
Y
D
V
I
LIHLC
F
G
L
F
E
N
P
I
E
L
L
E
Q
L
L
P
Y
L
------------
S
N
E
S
M
I
Y
I
V
D
L
-
N
R
-------
D
-----------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------
I
-
E
-
S
G
L
S
S
V
Q
S
K
E
E
E
L
Y
I
-
Y
--------
D
Q
Y
H
A
S
L
T
L
S
E
F
E
Q
L
L
T
-
Y
---
I
---
T
---
K
-----
P
------------
R
------
E
D
M
M
Y
K
I
G
T
S
I
I
G
G
F
S
---
P
F
S
M
E
F
L
S
L
I
G
N
G
N
L
Q
Q
-
T
L
R
Q
A
P
D
V
L
L
H
A
W
-----------
26
Fugue
54.85
9%
-156
- C5 -
1E2X
2
FADR_ECOLI
A:
[10-231]
-----------
Q
S
P
A
G
F
A
E
E
Y
I
I
E
S
I
W
N
N
R
F
P
P
G
------------------
T
I
L
P
A
E
-------
R
E
L
S
E
L
I
------
G
V
T
-------------------
R
T
T
-
L
R
E
V
L
Q
R
L
A
-
R
-
D
G
-
W
L
T
I
Q
H
G
-----
K
P
T
K
-
V
N
N
F
W
-
E
T
----
S
G
---------------
L
N
I
L
E
T
L
A
R
L
D
H
E
S
V
P
Q
L
I
D
N
L
L
S
--
V
R
T
N
I
S
T
I
F
---
I
R
T
A
F
R
Q
H
---------
P
D
-
K
A
--
Q
E
V
L
A
T
A
N
-
E
----
V
A
D
-----------------
H
A
---
D
A
F
A
E
L
D
Y
N
I
--------------
F
R
G
L
-----
A
F
A
S
G
-
N
P
I
Y
G
L
I
L
N
G
M
K
------------
G
L
Y
T
R
I
G
R
H
Y
F
-
A
N
-------
P
-----------------------------------------------------------------------------------------------------------------------------------------------------
E
------------------------------------------------------------------------------------------------------------------------------------------------------
A
-
R
-
S
L
A
L
G
F
Y
H
K
L
S
A
L
C
S
E
G
--------
A
H
D
Q
V
Y
E
T
V
R
R
---
Y
G
H
-
E
---
S
---
G
---
E
-----
I
------------
W
------
H
R
M
Q
---------------------------------------------------------
24
HHSearch
44.37
19%
-41
- C5 -
3UON
2
A:
[382-457]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
CA-
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
---------------------
2
PsiBlast_PDB
44.16
30%
-113
- C5 -
4JQ6
1
?
A:
[78-149]
----------------------------------------------
I
D
W
L
I
T
V
P
L
Q
I
I
-------
E
F
Y
L
I
I
A
----------------
V
----
F
------
W
K
L
-
L
I
A
S
L
V
M
L
----
I
G
-
G
F
I
G
E
A
G
L
G
D
V
V
V
W
W
I
-
V
G
--
M
-
I
A
----
W
L
---------------
Y
I
I
Y
E
I
F
L
F
N
T
I
K
W
I
V
T
V
G
W
A
I
Y
P
--
I
G
Y
A
W
G
Y
F
G
---
D
G
L
N
E
D
A
L
N
I
-
V
Y
N
L
A
D
L
I
-
N
K
--
A
A
F
G
L
A
I
W
-
A
----
A
A
M
K
------
D
-
K
E
--
T
---
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
42.25
17%
-51
- C5 -
2Z73
4
OPSD_TODPA
A:
[255-336]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GPL
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
-----------