@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 : DRD3_HUMAN: (2016-01-09 )
MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
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..-.....320.......330.......340.......350..---------...-------.---.360-.--.....---..370.......380.......390.......400-----------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MA
S
L
S
Q
L
S
S
HL
N
Y
T
CGAEN--------STGA--------SQARP
H
A
Y
Y
A
L
S
Y
C
A
L
I
L
A
I
V
FGN
G
L
V
C
M
A
V
L
K
E
R
A
LQ-TTT
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
VTGGV
W
N
F
S
R
I
C
--
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
L
N
L
C
A
ISID
R
Y
T
A
V
V
M
P
V
H
Y
QHGT
G
Q
S
S
C
R
R
V
A
L
M
-
I
T
A
V
W
V
L
A
F
A
VS-C-
P
-
L
-
L
F
GFN---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
--
R
--------------------------------
I
-------------------
L
TR--------------------------------Q-------------------------NSQCNSV---RPGFPQQTL-------------------SPD
P
A
H
L
-
E
-
L
K
R
Y
Y
S
I
C
Q
DTA----------------LGGP
G
F
Q
E
RGGEL
K
R
-
E
E
K
TRNSLSPTIA
P
K
L
S
L
E
V
R
-KLSNGRL
S
T
S
LKLGP-LQPRGVPL
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
NTH---------CQT-------C---HVS--P--
E
L
Y
S
A
---
T
T
W
L
G
Y
V
N
SALN
P
V
I
Y
T
T
F
N
I
E
F
R
K
A
F
L
K
I
LSC-------------------------
73
Fugue
86.23
29%
-113
- C6 -
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
TH
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
TEGYYTIGIGHLLT
K
S
P
S
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
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
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
-
W
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
---------
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
-------------------------
7
PsiBlast_PDB
86.13
25%
-108
- C8 -
4EIY
26
AA2AR_HUMAN (first)
A:
[24-424]
-----------------------------
G
A
--------
P
P
I
M
G
S
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
---
P
K
E
G
K
N
H
S
Q
GCGEGQ
V
A
----
C
---------
L
----------
F
---------
E
-----
D
-------
V
---
V
-----
P
M
N
Y
M
V
Y
F
N
F
F
ACV
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
ADN
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
-
T
T
R
N
A
Y
I
Q
K
Y
L
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
-------------------------
5
PsiBlast_PDB
85.22
26%
-103
- C8 -
4U15
6
ACM3_RAT
A:
[22-398]
------------------------------------------------------
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
PPG
E
C
---------
F
----------
I
QFL------
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
GGGSGG
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
N
Q
T
-
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
-
W
D
--
A
Y
L
I
K
E
K
K
A
A
Q
T
L
S
A
I
L
L
A
F
I
I
T
W
T
P
Y
N
I
M
V
L
V
N
T
F
---------
C
D
S
-------
C
----
I
P
--
K
--
T
Y
W
N
L
---
G
Y
W
L
C
Y
I
N
S
T
V
N
P
V
C
Y
A
L
C
N
K
T
F
R
T
T
F
K
T
L
----------------------------
4
PsiBlast_PDB
84.00
26%
-127
- C8 -
4NC3
12
C562_ECOLX
A:
[24-413]
---------------------------------------
E
Q
G
N
K
L
H
W
A
A
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
NPN
N
--------------
I
T
----
C
---------
V
----------
L
---------
T
-----
K
-------
E
RF
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
ADN
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
E
Q
R
A
S
K
V
L
G
I
V
F
F
L
F
L
L
M
W
C
P
F
F
I
T
N
I
T
L
V
L
---------
C
D
S
-------
C
---
N
Q
T
T
L
Q
--
M
L
L
E
I
---
F
V
W
I
G
Y
V
S
S
G
V
N
P
L
V
Y
T
L
F
N
K
T
F
R
D
A
F
G
R
Y
I
T
C
-------------------------
6
PsiBlast_PDB
82.78
26%
-106
- C8 -
4U16
2
?
A:
[22-388]
------------------------------------------------------
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
PPG
E
C
---------
F
----------
I
QFL------
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
GGGSGG
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
N
Q
T
-
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
-
W
D
--
A
Y
L
I
K
E
K
K
A
A
Q
T
L
S
A
I
L
L
A
F
I
I
T
W
T
P
Y
N
I
M
V
L
V
N
T
F
---------
C
D
S
-------
C
----
I
P
--
K
--
T
Y
W
N
L
---
G
Y
W
L
C
Y
I
N
S
T
V
N
P
V
C
Y
A
L
C
N
--------------------------------------
2
PsiBlast_PDB
82.14
31%
-114
- C8 -
4IAR
2
C562_ECOLX
A:
[30-395]
------------------------------------------------------
I
T
L
A
T
T
L
S
N
A
F
V
I
A
T
V
Y
R
T
R
K
L
H
-
T
P
A
N
Y
L
I
A
S
L
A
V
T
D
L
L
V
S
I
L
V
-
M
P
I
S
T
M
Y
T
V
T
G
R
-
W
T
L
G
Q
V
V
--
C
D
F
W
L
S
S
D
I
T
C
C
T
A
S
I
W
H
L
C
V
I
A
L
D
R
Y
W
A
I
T
D
A
V
E
Y
---
S
A
K
R
T
P
K
R
A
A
V
M
-
I
A
L
V
W
V
F
S
I
S
I
S
-
L
-
P
-
P
-
F
F
W
R
Q
---
A
------------------------------------------
S
---------
E
C
---------
V
---------
V
-----
N
-------
T
---
D
H
I
L
--
Y
T
V
Y
S
T
V
G
A
F
Y
----
F
P
T
L
L
L
I
A
L
Y
G
R
I
Y
V
E
A
R
S
R
I
A
D
L
E
D
N
W
E
T
L
N
D
N
L
K
V
I
E
K
ADN
A
A
Q
V
K
--
D
--------------------------------
A
-------------------
L
T
K
--------------------------------
M
-------------------------
R
A
A
A
L
D
A
---
Q
K
A
T
P
P
K
L
E
-------------------
D
K
S
P
D
S
P
-
E
-
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
-
T
T
R
N
A
Y
I
Q
K
Y
L
-----------
A
A
R
E
R
K
A
T
K
T
L
G
I
I
L
G
A
F
I
V
C
W
L
P
F
F
I
I
S
L
V
M
P
I
-----------------------
W
F
H
--
L
--
A
I
F
D
F
---
F
T
W
L
G
Y
L
N
S
L
I
N
P
I
I
Y
T
M
S
N
E
D
F
K
Q
A
F
H
K
L
I
R
F
-------------------------
3
PsiBlast_PDB
81.73
26%
-124
- C8 -
4IB4
10
5HT2B_HUMAN (first)
A:
[24-413]
---------------------------------------
E
Q
G
N
K
L
H
W
A
A
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
------------------NPN
N
--------------
I
T
----
C
---------
V
----------
L
---------
T
-----
K
-------
E
RF
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
ADN
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
Q
T
I
S
---------
N
E
Q
R
A
S
K
V
L
G
I
V
F
F
L
F
L
L
M
W
C
P
F
F
I
T
N
I
T
L
V
L
---------
C
D
S
-------
C
---
N
Q
T
T
L
Q
--
M
L
L
E
I
---
F
V
W
I
G
Y
V
S
S
G
V
N
P
L
V
Y
T
L
F
N
K
T
F
R
D
A
F
G
R
Y
I
T
C
-------------------------
77
Fugue
80.82
24%
-129
- C6 -
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
VRSPFEAP
Q
Y
Y
L
--------
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
-
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
H
G
Y
-
F
V
F
G
P
T
G
--
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
----
M
S
N
F
R
F
G
E
N
H
A
I
M
G
-
V
A
F
T
W
V
M
A
L
A
C
A
-
A
-
P
-
P
-
L
V
G
W
S
R
Y
I
P
---
E
---------
G
---
M
---
Q
--------------
C
S
----
C
---------
G
----------
I
DYYTPHEET
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
GKNPSTTVSKTETS
Q
V
A
P
A------
55
HHSearch
78.76
100%
-184
- C8 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-230]
-----------------------------------------------
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
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
N
Q
--
T
--
P
N
R
A
K
---
R
V
I
T
T
F
R
T
G
T
W
D
A
Y
G
V
P
L
R
E
K
K
A
T
Q
M
V
A
I
V
L
G
A
-------------------------
1
PsiBlast_PDB
78.33
98%
-183
- C8 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-233]
-----------------------------------------------
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
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
N
Q
--
T
--
P
N
R
A
K
---
R
V
I
T
T
F
R
T
G
T
W
D
A
Y
G
V
P
L
R
E
K
K
A
T
Q
M
V
A
I
V
L
G
A
-------------------------
21
PsiBlast_CBE
78.21
98%
-191
- C8 -
3PBL
1
DRD3_HUMAN (first)
B:
[41-233]
-----------------------------------------------
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
---------
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
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
N
Q
--
T
--
P
N
R
A
K
---
R
V
I
T
T
F
R
T
G
T
W
D
A
Y
G
V
P
L
R
E
K
K
A
T
Q
M
V
A
I
V
L
G
A
-------------------------
75
Fugue
77.60
23%
-144
- C6 -
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
EY
L
R
S
Y
F
I
Y
S
M
C
T
T
V
A
----
M
-
F
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
DFQTPAM
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
L
A
G
D
T
F
R
R
R
--------------------------------
74
Fugue
77.60
21%
-97
- C6 -
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
GSN
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
GIGH
L
-------------------
L
T
K
SPS
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
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
N
Q
T
-
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
W
D
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
GRPLEVLFQ----------------
78
Fugue
75.62
23%
-111
* C6 *
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
R
S
P
FEAPQYYL
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
DYYTPHE
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
GKNPLGDDEA
S
T
T
V
S
K
TETSQVAPA
64
HHSearch
74.46
25%
-146
- C6 -
2KS9
1
NK1R_HUMAN
A:
[34-322]
----------------------------------------------
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
TM-------
P
---
S
---
R
--------------
V
V
----
C
---------
M
----------
I
---------
E
WP---
E
HPNKIY
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
D
-------
L
YLK
K
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
-------------------------
66
HHSearch
72.73
19%
-138
- C6 -
2Z73
5
OPSD_TODPA
A:
[35-331]
---------------------------------------------
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
YIS--
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
-------------------------
R
L
N
--------------------------------------------------------------------------------------------------------------------------
A
K
E
L
-
R
K
A
Q
A
G
A
N
A
E
M
R
L
A
K
I
S
I
V
I
V
S
Q
F
L
L
S
W
S
P
Y
A
V
V
A
L
L
A
Q
F
---------
G
P
L
-------
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
-------------------------
65
HHSearch
71.28
25%
-123
- C6 -
1U19
14
OPSD_BOVIN
A:
[41-324]
---------------------------------------------
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
YYTPH
E
ETN
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
-------------------------
20
PsiBlast_PDB
65.21
34%
-144
- C8 -
2Y03
9
ADRB1_MELGA
A:
[21-234]
------------------------------------------------------
V
V
L
L
I
V
A
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
-
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
P
F
G
A
T
L
-
V
V
R
G
T
W
L
W
G
S
F
L
--
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
M
T
R
A
---
R
A
K
V
I
-
I
C
T
V
W
A
I
S
A
L
V
S
F
L
-
P
-
I
-
M
M
H
W
W
---
R
---
D
---------
E
---
D
---
P
--------------
Q
A
----
L
---------
K
C
Y
Q
DPGCCDF
V
---------
T
-----
N
-------
R
---
A
-----
Y
A
I
A
S
S
I
I
S
F
Y
----
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
A
K
E
Q
-------------------------
I
R
----------------------------------------------------------------------------------------------------------------------
S
R
V
M
L
M
---
R
E
H
K
A
L
K
T
L
-------------------
G
I
I
M
G
V
F
-
T
-
L
C
W
L
P
F
F
L
V
N
I
V
----------------
N
V
F
N
R
D
L
V
P
D
W
L
F
V
A
-
F
N
W
L
G
Y
A
N
S
A
M
N
P
I
I
Y
C
R
S
P
D
-
F
R
K
A
F
K
R
L
L
A
-----------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
65.17
34%
-139
- C8 -
4AMI
6
ADRB1_MELGA
B:
[21-234]
------------------------------------------------------
V
V
L
L
I
V
A
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
-
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
P
F
G
A
T
L
-
V
V
R
G
T
W
L
W
G
S
F
L
--
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
M
T
R
A
---
R
A
K
V
I
-
I
C
T
V
W
A
I
S
A
L
V
S
F
L
-
P
-
I
-
M
M
H
W
W
---
R
---
D
---------
E
---
D
---
P
--------------
Q
A
----
L
---------
K
C
Y
Q
DPGCCDF
V
---------
T
-----
N
-------
R
---
A
-----
Y
A
I
A
S
S
I
I
S
F
Y
----
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
A
K
E
Q
-------------------------
I
R
K
---------------------------------------------------------------------------------------------------------------------
S
R
V
M
L
M
---
R
E
H
K
A
L
K
T
L
-------------------
G
I
I
M
G
V
F
-
T
-
L
C
W
L
P
F
F
L
V
N
I
V
----------------
N
V
F
N
R
D
L
V
P
D
W
L
F
V
A
-
F
N
W
L
G
Y
A
N
S
A
M
N
P
I
I
Y
C
R
S
P
D
-
F
R
K
A
F
K
R
L
L
------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
65.17
34%
-132
- C8 -
4AMJ
10
ADRB1_MELGA
B:
[21-234]
------------------------------------------------------
V
V
L
L
I
V
A
G
N
V
L
V
I
A
A
I
G
S
T
Q
R
L
Q
-
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
P
F
G
A
T
L
-
V
V
R
G
T
W
L
W
G
S
F
L
--
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
M
T
R
A
---
R
A
K
V
I
-
I
C
T
V
W
A
I
S
A
L
V
S
F
L
-
P
-
I
-
M
M
H
W
W
---
R
---
D
---------
E
---
D
---
P
--------------
Q
A
----
L
---------
K
C
Y
Q
DPGCCDF
V
---------
T
-----
N
-------
R
---
A
-----
Y
A
I
A
S
S
I
I
S
F
Y
----
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
A
K
E
Q
-------------------------
I
R
K
ID
R
--------------------------------
A
-------------------
S
K
R
--------------------------------
K
-------------------------
T
S
R
V
M
L
M
---
R
E
H
K
A
L
K
T
L
-------------------
G
I
I
M
G
V
F
-
T
-
L
C
W
L
P
F
F
L
V
N
I
V
----------------
N
V
F
N
R
D
L
V
P
D
W
L
F
V
A
-
F
N
W
L
G
Y
A
N
S
A
M
N
P
I
I
Y
C
R
S
P
D
-
F
R
K
A
F
K
R
L
L
A
-----------------------------------------------------------------------------------------------------------------------------------------------