@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 : O2A25_HUMAN: (2016-01-11 )
MGGNQTSITEFLLLGFPIGPRIQMLLFGLFSLFYIFILLGNGTILGLISLDSRLHTPMYFFLSHLAVVDIACACSTVPQMLVNLLHPAKPISFAGCMTQMFLFLSFAHTECLLLVVMSYDRYVAICHPLRYSTIMTWKVCITLALTSWILGVLLALVHLVLLLPLSFCGPQKLNHFFCEIMAVLKLACADTHINEVMVLAGAVSVLVGAFFSTVISYVHILCAILKIQSGEGCQKAFSICSSHLCVVGLFYGTAIIMYVEPQYESPKEQKKYLLLFHSLFNPMLNPLIYSLRNKEVQGTLKRMLEKKRTS
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)
------------MGG
N
Q
T
S
I
T
E
-------------
F
L
L
LGFPI--G
P
R
I
Q
M
L
L
F
G
L
F
S
L
F
Y
I
F
I
-
L
LGN
G
T
I
L
G
L
I
SLDSRL
H
T
P
M
Y
F
F
L
S
H
L
A
V
V
D
I
A
C
A
C
S
T
-
V
P
Q
M
L
V
N
L
L-HPAKP
I
S
F
A
G
C
--
M
T
Q
M
F
L
F
L
S
F
A
H
T
E
C
L
L
L
V
VMSYD
R
Y
V
A
I
CHPL
R
Y
S
T
I
---
M
T
W
K
V
C
I
T
L
A
L
T
S
W
I
L
G
V
L
L
A
L
V
H
L
V
---
L
L
L
P
---LSFC
G
P
----
Q
K
L
N
H
F
F
C
E
I
M
A
V
L
K
L
A
C--ADT
H
I
-
N
E
V
-
M
V
L
A
G
A
V
S
V
L
V
G
A
F
F
S
T
V
I
S
Y
V
H
I
L
C
A
----
I
L
K-IQS----GE-----------
G
--------------------
C
----
Q
K
A
F
S
I
C
-
S
S
H
--
L
C
V
V
G
L
F
YG
T
--------
A
--
I
I
M
Y
VE-------PQ-Y----E---S-----
P
--
K
E
Q
K
K
Y
L
L
L
-
F
H
S
L
F
-
N
P
M
L
N
P
L
I
Y
S
L
RN
K
E
V
Q
G
T
L
K
R
M
L
E
K
KRTS-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
88.68
21%
-161
- C2 -
3VGA
1
AA2AR_HUMAN
A:
[18-305]
-------------------------------------------------------------
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
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
K
Q
-
M
E
S
Q
PLP
G
E
-----------
R
--------------------
A
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
C
P
D
-
C
----
S
---
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
87.09
21%
-161
- C2 -
3UZA
1
AA2AR_HUMAN
A:
[18-305]
-------------------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
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
----
P
--------
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
A
A
A
R
R
Q
L
K
Q
-
M
E
S
QPLP
G
E
-----------
R
--------------------
A
R
S
T
L
Q
K
E
V
H
A
A
-
K
S
A
--
A
I
I
A
G
L
F
A
L
C
--------
W
--
L
P
L
H
I
I
N
C
F
T
F
FC
P
D
-
C
----
S
---
H
-----
A
--
P
L
W
L
M
Y
L
A
I
-
V
L
A
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
87.00
21%
-159
- C2 -
3PWH
1
?
A:
[18-305]
-------------------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
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
----
P
--------
G
C
G
E
G
Q
V
A
C
LF
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
A
A
A
R
R
Q
L
K
Q
-
M
E
S
QPLP
G
E
-----------
R
--------------------
A
R
S
T
L
Q
K
E
V
H
A
A
-
K
S
A
--
A
I
I
A
G
L
F
A
L
C
--------
W
--
L
P
L
H
I
I
N
C
F
T
F
FC
P
D
-
C
----
S
---
H
-----
A
--
P
L
W
L
M
Y
L
A
I
-
V
L
A
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
86.95
21%
-161
- C2 -
3REY
1
AA2AR_HUMAN
A:
[18-305]
-------------------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
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
----
P
--------
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
A
A
A
R
R
Q
L
K
Q
-
M
E
S
QPLP
G
E
-----------
R
--------------------
A
R
S
T
L
Q
K
E
V
H
A
A
-
K
S
A
--
A
I
I
A
G
L
F
A
L
C
--------
W
--
L
P
L
H
I
I
N
C
F
T
F
FC
P
D
-
C
----
S
---
H
-----
A
--
P
L
W
L
M
Y
L
A
I
-
V
L
A
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
86.78
21%
-161
- C2 -
3UZC
1
AA2AR_HUMAN
A:
[18-305]
-------------------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
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
----
P
--------
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
A
A
A
R
R
Q
L
K
Q
-
M
E
S
QPLP
G
E
-----------
R
--------------------
A
R
S
T
L
Q
K
E
V
H
A
A
-
K
S
A
--
A
I
I
A
G
L
F
A
L
C
--------
W
--
L
P
L
H
I
I
N
C
F
T
F
FC
P
D
-
C
----
S
---
H
-----
A
--
P
L
W
L
M
Y
L
A
I
-
V
L
A
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
86.60
21%
-160
- C2 -
3RFM
1
AA2AR_HUMAN
A:
[18-305]
-------------------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
A
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
----
P
--------
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
A
A
A
R
R
Q
L
K
Q
-
M
E
S
QPLP
G
E
-----------
R
--------------------
A
R
S
T
L
Q
K
E
V
H
A
A
-
K
S
A
--
A
I
I
A
G
L
F
A
L
C
--------
W
--
L
P
L
H
I
I
N
C
F
T
F
FC
P
D
-
C
----
S
---
H
-----
A
--
P
L
W
L
M
Y
L
A
I
-
V
L
A
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
86.07
21%
-161
- C2 -
3VG9
8
?
A:
[18-305]
-------------------------------------------------------------
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
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
K
Q
-
M
E
S
Q
PLP
G
E
-----------
R
--------------------
A
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
C
P
D
-
C
----
S
---
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
86.00
22%
-146
- C2 -
4GBR
1
ADRB2_HUMAN
A:
[13-286]
---------------------------------------------------------
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
I
D
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
-
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
85.13
16%
-148
- C2 -
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
G
DSSDRYH
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
YL---
K
KF
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
84.87
17%
-150
- C2 -
2Z73
5
OPSD_TODPA
A:
[34-332]
-------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
78.93
17%
-138
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
------------
M
N
G
T
E
G
P
N
F
Y
VPFSNKTGVVRSP
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
GW
S
R
Y
I
P
E
GM
Q
C
S
C
G
I
DYYT
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
STTVSKTETS
Q
V
A
P
A--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
78.71
14%
-140
- C2 -
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
---
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
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
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
46
Fugue
77.74
15%
-142
- C2 -
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-----------------------------
37
HHSearch
74.94
17%
-129
- C2 -
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
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
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
72.16
16%
-107
- C2 -
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
LA
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
GW
S
R
Y
I
P
E
GM
Q
C
S
C
G
I
DYYT
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
LGDDEA
S
T
T
V
S
K
TETSQVAPA--------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
71.00
18%
-127
- C2 -
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
RTQ
V
IQE
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
65.60
19%
-170
- C2 -
2RH1
6
ADRB2_HUMAN (first)
A:
[42-236]
---------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
62.59
20%
-184
- C2 -
3EML
8
ENLYS_BPT4
A:
[23-221]
---------------------------------------------------
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
62.29
24%
-178
- C2 -
4EIY
18
AA2AR_HUMAN (first)
A:
[43-175]
-------------------------------------------------------------
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
----
P
K
E
G
K
N
H
S
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
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
M
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
62.14
19%
-169
* C2 *
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------