@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 : OR4B1_HUMAN: (2016-01-13 )
MASTSNVTELIFTGLFQDPAVQSVCFVVFLPVYLATVVGNGLIVLTVSISKSLDSPMYFFLSCLSLVEISYSSTIAPKFIIDLLAKIKTISLEGCLTQIFFFHFFGVAEILLIVVMAYDCYVAICKPLHYMNIISRQLCHLLVAGSWLGGFCHSIIQILVIIQLPFCGPNVIDHYFCDLQPLFKLACTDTFMEGVIVLANSGLFSVFSFLILVSSYIVILVNLRNHSAEGRHKALSTCASHITVVILFFGPAIFLYMRPSSTFTEDKLVAVFYTVITPMLNPIIYTLRNAEVKIAIRRLWSKKENPGRE
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)
------------------------------------------------------------------------------------------MAST
S
N
-
V
T
E
-
L
I
F
T
---------------GL---------------FQDP
A
V
Q
S
V
--------------
C
F
V
----
V
F
L
P
V
Y
L
A
T
V
VG-N
G
L
I
V
L
T
V
SISKSLD--
S
P
M
Y
F
F
L
S
-
C
-----
L
S
L
V
E
I-SYSSTI-
A
P
K
F
I
I
D
L
L
-
A
K
I
K
T
I
S
L
-------
E
G
C
L
T
Q
I
F
F
F
-
H
F
F
G
V
A
E
I
L
L
I
-----
V
V
M
A
Y
D
C
Y
V
A
I
C
K
-
P
L
------
H
Y
M
N
I
---
I
S
R
Q
L
C
H
L
L
V
A--G
S
---
W
L
G
G
----------------
F
-
C
H
----
S
I
I
Q
I
L
V
I
-
I
QLP-----FC-G
P
N
V
I
D
H
-
Y
F
C
D
L
Q
P
L
F
K
L
A
C
T
D
--
T
F
M
E
G
V
I
V
LANS
G
L
F
S
------------------
V
F
S
F
L
I
L
---------
V
S
S
Y
I
V
I
L
V
NLRNHSAE------------
G
---------------------
R
-----
H
K
A
L
S
T
C
A
S
H
I
T
V
V
I
L
F
FG
P
----
A
I
F
L
Y
MRP-----------S---S--------T---F--T----E
D
----
K
L
-
V
A
V
F
Y
T
V
I
T
P
M
L
-----------
N
P
I
I
Y
T
LRNA
E
V
K
I
A
I
R
R
L
W
SK-KEN-PGRE-----------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
89.49
17%
-142
- C4 -
2Z73
5
OPSD_TODPA
A:
[33-333]
----------------------------------------------------------------------------------------------------------------------------------------------
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
VT
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
85.50
16%
-154
- 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
NP
D
--------
L
---
Y
L-
K
KFI
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
82.45
15%
-127
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
------------------------------------------------------------------------------------------
M
N
G
T
E
G
-
P
N
F
-
Y
V
P
F
SNKTGVVRSPFEAPQ
Y
Y
---------------
L
A
E
P
W
Q
F
S
M
--------------
L
A
A
----
Y
M
F
L
L
I
M
L
G
F
P
I
-
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
--
T
P
L
N
Y
I
L
L
-
N
-----
L
A
V
A
D
L
-
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
-
H
G
Y
F
V
F
G
P
-------
T
G
C
N
L
E
G
F
F
A
-
T
L
G
G
E
I
A
L
W
S
L
-----
V
V
L
A
I
E
R
Y
V
V
V
C
K
-
P
M
------
S
N
F
R
F
----
G
E
N
H
A
I
M
G
V
A
--
F
T
---
W
V
M
A
----------------
L
-
A
C
----
A
A
P
P
L
V
G
W
S
R
Y
I
P
E
GMQC
S
C
-
G
I
D
-----
Y
Y
T
P
H
E
E
T
N
N
E
S
F
V
I
--
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
------------------
C
Y
G
Q
L
V
F
---------
T
V
K
E
A
A
A
S
A
T
T
Q
K
A
E
K
E
------------
V
---------------------
T
-----
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
----
A
F
Y
I
F
T
H
Q
-----------
G
---
S
--------
D
---
F
--
G
----
P
I
----
F
M
T
I
P
A
F
F
A
K
T
S
A
V
Y
-----------
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
-
G
K
N
-
P
S
T
T
VSKTETS
Q
V
A
P
A-----------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
75.86
16%
-134
- C4 -
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
75.70
13%
-135
- 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
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
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
31
HHSearch
75.62
15%
-141
- C4 -
1U19
14
OPSD_BOVIN
A:
[40-328]
-----------------------------------------------------------------------------------------------------------------------------------------------
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
SD-
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
75.48
15%
-115
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
------------------------------------------------------------------------------------------
M
N
G
T
E
G
-
P
N
F
-
Y
V
P
F
---------------
S
N
KTGVVRSPFEAPQYY
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
A
Q
Q
Q
E
S
A
T
T
Q
K
------------
A
---------------------
E
-----
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
F
Y
I
F
T
H
Q
-----------
G
---
S
--------
D
---
F
--
G
----
P
I
----
F
M
T
I
P
A
F
F
A
K
T
S
A
V
Y
-----------
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
-
G
K
N
-
P
L
G
D
DEA
S
T
T
V
S
K
TETSQVAPA-----------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
68.72
20%
-145
- C2 -
4KQ7
6
?
A:
[2-374]
---------------------------------------------------------------------------------------------
Q
S
N
M
T
N
E
M
F
D
L
A
---------------
K
L
---------------
K
S
G
V
K
N
K
R
I
S
STDPTGGNRDHLE
P
F
K
----
P
G
E
K
R
I
I
A
D
I
K
G
M
G
V
I
N
H
I
W
V
T
I
A
P
P
P
P
TL
S
R
N
D
I
I
I
R
M
Y
-----
W
D
G
N
D
Y
P
S
V
E
S
P
I
-
G
P
F
F
G
Q
G
W
D
-
E
R
Y
N
Y
A
S
L
P
L
S
A
G
P
E
N
G
T
G
L
S
C
Y
F
A
M
P
F
E
K
G
A
R
I
E
I
E
N
QSDR
N
I
D
A
F
Y
F
Y
V
D
Y
L
E
M
A
K
LPKD
M
G
R
F
H
A
W
---
Y
N
H
N
L
T
E
A
L
P
E
--
G
E
---
T
E
W
G
VT
G
A
Q
K
P
N
TTGERNYV
F
M
E
T
Q
G
K
G
H
F
V
G
I
N
Y
Y
-
V
H
C
P
-----
T
P
M
W
Y
G
E
G
D
D
M
W
F
I
D
G
E
K
V
P
S
L
I
G
T
G
--
T
E
D
F
F
N
T
A
W
C
P
K
E
A
F
S
H
PY
F
G
Y
PRVNNDIGWL
G
R
T
H
V
Y
R
F
F
---------
I
E
D
P
I
F
F
E
K
S
L
K
G
T
I
E
H
------------
G
---------------------
S
-----
N
N
N
L
T
L
D
L
S
--
T
V
A
Y
W
Y
Q
D
S
----
A
V
A
L
P
E
A
P
-----------
T
---
K
--------
A
---
Q
--
R
----
A
P
----
K
--------------------------
P
F
I
N
H
V
D
I
H
R
W
R
D
A
W
R
K
S
K
G
N
-
K
A
T
L
W
G
N
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
66.55
19%
-145
* C4 *
2RH1
6
ADRB2_HUMAN (first)
A:
[40-236]
-----------------------------------------------------------------------------------------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
63.18
20%
-162
- C4 -
3EML
8
ENLYS_BPT4
A:
[22-222]
------------------------------------------------------------------------------------------------------------------------------------------------
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
ED
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
63.17
20%
-158
- C4 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-227]
----------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
60.71
15%
-161
- 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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
60.38
16%
-115
* C3 *
4QIQ
1
XYLE_ECOLI
A:
[7-470]
S
Y
I
F
S
I
T
L
V
A
T
L
G
G
L
L
F
G
Y
D
T
A
VISGT
V
E
S
L
N
T
V
FVAPQNLS
E
S
A
A
N
S
L
L
G
F
C
V
A
S
A
L
I
G
C
I
I
G
G
A
L
G
G
Y
C
S
N
RFG
R
R
D
S
L
K
I
A
A
V
L
F
F
I
S
G
V
G
S
A
-
W
P
E
-
L
G
F
T
---------------
S
I
---------------
N
P
D
N
T
V
-------------------
P
----
V
Y
L
A
G
Y
V
P
E
F
V
I
-
Y
R
I
I
G
G
I
G
V
G
L
A
S
M
L
--
S
P
M
Y
I
A
E
L
-
A
PAHI
R
G
K
L
V
S
F
-
N
Q
F
A
I
I
-
F
G
Q
L
L
V
Y
C
V
-
N
Y
F
I
A
R
S
G
-------
D
A
S
W
L
N
T
D
G
W
-
R
Y
M
F
A
S
E
C
I
P
A
-----
L
L
F
L
M
L
L
Y
T
V
P
E
S
-
P
R
------
W
L
M
T
L
---
A
T
Q
A
V
Q
E
I
K
H
S
L
D
R
L
---
L
M
F
G
----------------
V
-
G
V
----
I
V
I
G
V
M
L
S
-
I
F
Q
Q
-----
F
V
-
G
I
N
V
V
L
Y
-
Y
A
P
E
V
F
K
T
L
G
A
S
T
D
I
--
A
L
L
Q
T
I
I
V
G
V
I
N
L
T
F
T
------------------
V
L
A
I
M
T
V
DKFGRKP
L
Q
I
I
G
A
L
G
M
A
I
G
M
F
S
L
G
T
A
------------
F
---------------------
Y
T
QAP
G
I
V
A
L
L
S
M
L
F
Y
V
A
A
F
A
M
S
W
G
P
----
V
C
W
V
L
L
S
E
I
F
PNA
I
R
G
K
A
L
A
---
I
--------
A
---
V
--
A
----
A
Q
----
W
L
-
A
N
Y
F
V
S
W
T
F
P
M
M
DKN
S
W
L
V
A
H
FH
N
G
F
S
Y
W
I
Y
G
C
M
G
V
L
A
A
L
F
M
W
K
F
V
P
E
T
-
K
G
K
T
L----------------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
60.33
16%
-137
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-240]
----------------------------------------------------------------------------------------------------------------------------------------------
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
--------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
57.64
18%
-146
- C4 -
3RZE
2
ENLYS_BPT4 (first)
A:
[11-201]
----------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
57.39
22%
-145
- C4 -
4LDL
3
ADRB2_HUMAN
A:
[169-308]
--------------------------------------------------------------------------------------------------------
T
---------------
G
T
---------------
W
D
A
Y
A
A
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
-
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
57.39
25%
-160
- C4 -
4IB4
10
5HT2B_HUMAN (first)
A:
[34-169]
------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
R
N
-
A
Y
I
-
Q
K
Y
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
57.24
22%
-144
- C4 -
4LDE
3
A:
[169-308]
--------------------------------------------------------------------------------------------------------
T
---------------
G
T
---------------
W
D
A
Y
A
A
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
-
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
56.52
25%
-155
- C4 -
4NC3
9
C562_ECOLX
A:
[34-169]
------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-
Y
L
Q
-
T
I
S
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
55.30
14%
-158
- C4 -
3V2Y
1
ENLYS_BPT4
A:
[62-250]
----------------------------------------------------------------------------------------------------------------------------------------------
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------