@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 : OR3A1_HUMAN: (2016-01-13 )
MQPESGANGTVIAEFILLGLLEAPGLQPVVFVLFLFAYLVTVRGNLSILAAVLVEPKLHTPMYFFLGNLSVLDVGCISVTVPSMLSRLLSRKRAVPCGACLTQLFFFHLFVGVDCFLLTAMAYDRFLAICRPLTYSTRMSQTVQRMLVAASWACAFTNALTHTVAMSTLNFCGPNVINHFYCDLPQLFQLSCSSTQLNELLLFAVGFIMAGTPMALIVISYIHVAAAVLRIRSVEGRKKAFSTCGSHLTVVAIFYGSGIFNYMRLGSTKLSDKDKAVGIFNTVINPMLNPIIYSFRNPDVQSAIWRMLTGRRSLA
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)
-------------------------------------MQPESGAN
G
T
V
I
A
E
F
I
L
L
G
--
L
----------LEAPGL
Q
P
V
V
F
V
-
L
F
L
----
F
A
Y
L
V
T
VRG
N
L
S
I
L
A
A
V
LVEPKLHT
P
M
Y
F
F
L-GN
L
S
V
L
D
--
V
G
C
I
S
V
T
-
V
P
S
M
L
S
R
L
------------------
L
-SR----KR-AV
P
C
G
A
C
L
T
Q
-
L
F
F
F
H
L
F
V
G
--
V
D
C
F
L
L
T
A
M
A
Y
D
------------------------------
R
F
L
A
I
CRPLT
Y
S
T
R
---
M
S
Q
T
V
Q
R
M
L
V
A
A
S
W
A
C
A
F
T
N
A
L
T
-
H
T
V
A
-
M
S
T
L
NFC
G
P
N
V
I
N
H
F
-YCD----
L
P
Q
L
F
Q
--LSC-------S-------S
T
Q
--
L
N
E
L
L
L
-----
F
A
V
--
G
F
I
MA--GT
P
M
A
L
I
V
I
S
Y
I
H
V
-
A
A
A
V
-----------
L
R
I
-----RS---V-----------E--------------------
G
R
K
K
A
F
S
TCGS-------
H
L
T
V
V
----
A
I
F
YGS
G
I
F
N
Y
M
RL---GS--T-------K------LS--DKD
K
-------
A
V
G
I
F
N
T
V
I
N
P
M
L
--------
N
P
I
I
Y
SFRNP
D
V
Q
S
A
-------
I
W
R
M
L
TGRRSLA-------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
94.13
18%
-117
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-------------------------------------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
--
V
RSPFEAPQYY
L
A
E
P
W
Q
F
S
M
L
A
A
-
Y
M
F
----
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
-
L
N
L
A
V
A
D
--
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
------------------
L
-
H
G
----
Y
F
-
V
F
G
P
T
G
C
N
L
E
-
G
F
F
A
T
L
G
G
E
--
I
A
L
W
S
L
V
V
L
A
I
E
------------------------------
R
Y
V
V
V
C
K
P
M
S
-
N
F
R
---
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
----------------
A
P
P
L
V
G
W
-
S
R
Y
----
I
P
E
G
M
Q
--
C
S
C
-------
G
I
DYYTPH
E
E
T
--
N
N
E
S
F
V
-----
I
Y
M
--
F
V
V
H
F
--
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
-
V
F
T
V
-----------
K
E
A
-----
A
A
---
S
-----------
A
--------------------
T
T
Q
K
A
E
K
E
V
T
R
-------
M
V
I
I
M
----
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
---
A
F
--
Y
-------
I
------
F
T
--
H
Q
G
S
DFGPIFM
T
I
P
A
F
F
A
K
T
S
A
V
Y
--------
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
-------
M
V
T
T
L
C
C
G
K
N
P
S
TTVSKTETS
Q
V
A
P
A-----------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
86.01
18%
-97
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
-------------------------------------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
--
V
RSPFEAPQYY
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
KEAAAQQQESA
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
GDDEA
S
T
T
V
S
K
TETSQVAPA-----------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
84.50
16%
-122
- C4 -
2KS9
1
NK1R_HUMAN
A:
[33-324]
----------------------------------------------------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
84.48
16%
-106
- C4 -
1U19
14
OPSD_BOVIN
A:
[38-326]
-------------------------------------------------------------------------
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
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------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
82.38
14%
-120
- 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
G
I
-------
G
H
L
L
T
KSPS
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
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
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
33
HHSearch
81.80
14%
-128
- C4 -
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
PLE----
W
------
V
T
--
P
Y
A
A
-------
Q
L
P
V
M
F
A
K
A
S
A
I
H
--------
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
-------
I
S
Q
T
F
P
W
V
L
T
C
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
75.27
22%
-138
- C4 -
4IB4
10
5HT2B_HUMAN (first)
A:
[34-240]
--------------------------------------------------------------------------------
L
-
L
I
L
----
M
V
I
I
P
T
I
G
G
N
T
L
V
I
L
A
V
S
L
E
K
K
L
Q
Y
A
T
N
Y
F
L
-
M
S
L
A
V
A
D
L
L
V
G
L
F
V
M
P
-
I
-
A
L
L
T
I
M
------------------
F
-
E
A
----
M
W
-
P
L
P
L
V
L
C
P
A
W
-
L
F
L
D
V
L
F
S
T
--
A
S
I
W
H
L
C
A
I
S
V
D
------------------------------
R
Y
I
A
I
K
K
P
I
Q
A
N
Q
Y
---
N
S
R
A
T
A
F
I
K
I
T
V
V
W
L
I
S
I
G
I
A
I
P
-
V
P
I
K
-
G
I
E
T
---
N
P
N
N
I
T
----
C
V
----
L
-----------------
T
-------
K
E
R
--
F
G
D
F
M
L
-----
F
----
G
S
L
A
A
F-
F
T
P
L
A
I
M
I
V
T
Y
F
L
T
-
I
H
A
L
-----------
Q
-------
K
K
---
A
-----------
A
--------------------
D
L
E
D
N
W
E
T
L
N
D
-------
N
L
K
V
I
----
E
K
A
D
N
A
A
Q
V
K
D
A
L
T
---
K
M
--
R
-------
A
------
A
A
--
L
D
A
Q
-------
K
K
D
F
R
H
G
F
D
I
L
V
G
--------
Q
I
D
D
A
L
K
L
A
N
E
G
K
V
K
-------
E
A
Q
A
A
A
E
Q
L
K
T
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
75.08
14%
-139
- C3 -
3ZPJ
-
?
A:
[1-356]
-----------------------------M
T
T
L
E
E
I
N
L
L
V
E
R
G
Y
Y
E
E
A
L
A
K
V
Y
E
I
E
D
P
I
----------
E
Q
V
Q
V
L
T
K
I
V
V
T
-
I
Y
Q
H
DGP
M
E
W
I
P
S
I
M
E
D
A
M
Y
I
A
K
K
L
R
D
P
A
N
K
A
V
A
Y
S
I
I
A
S
T
L
A
I
M
E
--
Y
---
E
E
D
-
A
M
D
F
F
N
R
A
------------------
I
-
D
E
A
N
E
I
E
S
-
P
I
E
K
G
M
V
L
S
T
-
L
A
Y
H
L
A
I
A
G
Y
P
D
N
A
L
E
I
F
N
I
A
F
D
------------------------------
T
I
I
G
A
E
T
S
Y
T
H
K
V
D
---
G
I
L
R
I
G
D
L
L
E
K
A
G
D
T
L
P
S
N
E
A
M
D
F
Y
K
M
A
-
F
D
I
F
D
K
L
H
V
N
Q
R
A
A
I
-
V
E
K
----
K
I
E
L
A
K
T
V
Y
D
V
-------
G
-------
L
P
Q
--
I
R
A
A
L
L
K
GK
N
H
Y
A
L
--
A
I
I
K
K
--
K
Y
S
G
V
M
R
L
I
G
E
L
E
V
-
A
L
W
M
-----------
K
R
V
-----
N
N
ME
Y
L
-----------
D
--------------------
V
V
D
K
A
F
E
C
C
E
S
PRFT
D
V
N
V
Q
H
I
A
----
R
L
L
T
E
L
G
N
L
R
R
A
L
K
---
F
A
--
K
-------
E
------
I
Q
--
N
I
H
K
-------
R
S
E
A
L
K
A
I
A
L
E
L
V
R
R
KKFEE
V
K
K
I
I
E
S
I
P
D
P
K
I
R
E
E
-------
A
L
N
E
I
G
T
I
E
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
74.91
21%
-144
- C4 -
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
72.64
16%
-119
- 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
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
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
FQTPAM
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----------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
72.36
22%
-141
- C4 -
4NC3
12
C562_ECOLX
A:
[34-240]
--------------------------------------------------------------------------------
L
-
L
I
L
----
M
V
I
I
P
T
I
G
G
N
T
L
V
I
L
A
V
S
L
E
K
K
L
Q
Y
A
T
N
Y
F
L
-
M
S
L
A
V
A
D
L
L
V
G
L
F
V
M
P
-
I
-
A
L
L
T
I
M
------------------
F
-
E
A
----
M
W
-
P
L
P
L
V
L
C
P
A
W
-
L
F
L
D
V
L
F
S
T
--
A
S
I
W
H
L
C
A
I
S
V
D
------------------------------
R
Y
I
A
I
K
K
P
I
Q
A
N
Q
Y
---
N
S
R
A
T
A
F
I
K
I
T
V
V
W
L
I
S
I
G
I
A
I
P
-
V
P
I
K
-
G
I
E
T
-
V
D
N
P
N
N
I
T
----
C
V
----
L
-----------------
T
-------
K
E
R
--
F
G
D
F
M
L
-----
F
----
G
S
L
A
A
F-
F
T
P
L
A
I
M
I
V
T
Y
F
L
T
-
I
H
A
L
-----------
Q
-------
K
K
---
A
-----------
A
--------------------
D
L
E
D
N
W
E
T
L
N
D
-------
N
L
K
V
I
----
E
K
A
D
N
A
A
Q
V
K
D
A
L
T
---
K
M
--
R
-------
A
------
K
D
--
F
R
H
G
-------
F
D
I
L
V
G
Q
I
D
D
A
L
K
--------
L
A
N
E
G
K
V
K
E
A
Q
A
A
A
E
-------
Q
L
K
T
T
R
N
A
Y
I
Q
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
70.70
18%
-127
- C4 -
2RH1
6
ADRB2_HUMAN (first)
A:
[40-235]
---------------------------------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
69.79
17%
-101
- C1 -
3WDO
-
?
A:
[1-453]
DYKMT
P
G
E
R
R
A
T
W
G
L
G
T
V
F
S
L
R
M
L
G
M
F
M
V
L
P
V
L
T
T
YG
M
A
L
Q
G
A
S
E
A
L
I
G
I
A
I
G
I
Y
G
--
L
----------
T
Q
A
V
F
Q
I
P
F
G
L
L
-
S
D
R
----
I
G
R
K
P
L
I
V
G
G
L
A
V
F
A
A
G
S
V
I
A
A
L
S
D
S
I
W
G
I
I
-
L
G
R
A
L
Q
G
--
S
G
A
I
A
A
A
-
V
M
A
L
L
S
D
L
TREQN
R
T
K
A
M
A
F
I
G
V
S
F
G
I
-
T
F
----
A
I
-
A
M
V
L
G
P
I
I
T
H
K
L
G
L
H
A
L
F
W
M
--
I
A
I
L
A
T
T
G
I
A
L
T
I
W
V
VPNS
S
T
H
V
L
N
R
E
SGMV
K
G
S
F
S
K
V
L
A
E
P
R
L
L
K
L
N
F
G
I
M
C
L
H
M
---
L
L
M
S
T
F
V
A
L
P
G
Q
L
A
D
A
G
F
P
A
A
E
H
-
W
K
V
Y
-
L
A
T
M
L
I
A
F
G
S
V
V
P
F
I
I
Y
A
E
VKRK
M
K
Q
V
F
V
--
F
C
V
-------
G
-------
L
I
V
--
V
A
E
I
V
L
-----
W
N
A
QT
Q
F
W
Q
L
--
V
V
G
V
Q
L
F
F
V
A
F
N
L
M
-
E
A
L
L
-----------
P
S
L
-----
I
S
---
K
-----------
E
SPA-----------------
G
Y
K
G
T
A
M
G
V
Y
S
-------
T
S
Q
F
L
----
G
V
A
I
G
G
S
L
G
G
W
I
D
G
M
FD
G
Q
--
G
-------
V
------
F
L
--
A
G
A
M
-------
L
A
A
V
W
L
A
V
A
S
T
M
K
--------
E
P
P
Y
V
S
S
L
R
I
E
I
P
A
D
-------
I
A
A
N
E
A
L
K
V
R
L
L
E
TEGVK
E
V
L
I
AEEEH
S
A
Y
V
K
I
DSKVTN
R
F
E
V
E
Q
A
I
R
QAL----------------------------------------------------------------------------------------------------------------------------
22
HHSearch
67.90
23%
-134
- C4 -
3RZE
2
ENLYS_BPT4 (first)
A:
[11-200]
------------------------------------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
67.45
13%
-105
- 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
RTQVIQE
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
67.25
17%
-152
- C4 -
3UON
2
ACM2_HUMAN (first)
A:
[24-215]
----------------------------------------------------------------------------
V
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
67.09
17%
-153
* C4 *
3PBL
1
DRD3_HUMAN (first)
A:
[41-226]
------------------------------------------------------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
66.91
27%
-152
- C4 -
4U15
1
ACM3_RAT
A:
[9-141]
--------------------------------------------------------------------------
I
W
Q
V
V
F
I
-
A
F
L
T
G
--
F
L
A
L
V
T
I
I
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
-
L
S
L
A
C
A
D
L
I
I
G
V
I
S
M
N
-
L
--
F
T
T
Y
I
------------------
I
-
M
N
----
R
W
-
A
L
G
N
L
A
C
D
L
W
-
L
S
I
D
Y
V
A
S
N
--
A
S
V
M
N
L
L
V
I
S
F
D
------------------------------
R
Y
F
S
I
T
R
P
L
T
Y
R
A
K
---
R
T
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
L
W
A
P
-
A
I
L
F
-
W
Q
Y
F
V
G
K
R
T
V
P
P
G
E
C
-
F
I
Q
----
F
L
S
E
P
T
--
I
T
F
-------
G
-------
T
A
I
--
A
A
F
Y
M
P
-----
V
T
I
--
M
T
I
L
Y
--
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
-
M
L
R
I
-----------
D
E
G
-----
G
G
---
S
-----------
G
--------------------
G
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
66.82
30%
-138
- C4 -
3RZE
2
ENLYS_BPT4 (first)
A:
[9-137]
---------------------------------------------------------------------------
M
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
Y
D
S
-------
L
D
A
V
R
R
A
A
L
I
N
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
65.30
27%
-152
- C4 -
4U16
1
?
A:
[9-141]
--------------------------------------------------------------------------
I
W
Q
V
V
F
I
-
A
F
L
T
G
--
F
L
A
L
V
T
I
I
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
-
L
S
L
A
C
A
D
L
I
I
G
V
I
S
M
N
-
L
--
F
T
T
Y
I
------------------
I
-
M
N
----
R
W
-
A
L
G
N
L
A
C
D
L
W
-
L
S
I
D
Y
V
A
S
N
--
A
S
V
M
N
L
L
V
I
S
F
D
------------------------------
R
Y
F
S
I
T
R
P
L
T
Y
R
A
K
---
R
T
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
L
W
A
P
-
A
I
L
F
-
W
Q
Y
F
V
G
K
R
T
V
P
P
G
E
C
-
F
I
Q
----
F
L
S
E
P
T
--
I
T
F
-------
G
-------
T
A
I
--
A
A
F
Y
M
P
-----
V
T
I
--
M
T
I
L
Y
--
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
-
M
L
R
I
-----------
D
E
G
-----
G
G
---
S
-----------
G
--------------------
G
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------