@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 : OPRX_HUMAN: (2016-01-12 )
MEPLFPAPFWEVIYGSHLQGNLSLLSPNHSLLPPHLLLNASHGAFLPLGLKVTIVGLYLAVCVGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQGTDILLGFWPFGNALCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALASVVGVPVAIMGSAQVEDEEIECLVEIPTPQDYWGPVFAICIFLFSFIVPVLVISVCYSLMIRRLRGVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLAQGLGVQPSSETAVAILRFCTALGYVNSCLNPILYAFLDENFKACFRKFCCASALRRDVQVSDRVRSIAKDVALACKTSETVPRPA
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-------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MEPLFPA
P
F
W
E
V
I
YGSHLQG
N
L
S
L
LSPNHSLL
P
P
H
L
L
L
NASHG
A
F
L
PLGL
K
V
T
I
V
G
L
Y
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
HTKMKT
A
T
N
I
Y
I
F
N
LALA
D
T
L
V
-
L
L
-
T
--LP------FQG
T
D
I
L
-
L
-
G
FWPF
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
MFT
S
T
F
T
L
T
A
MSVD
R
Y
V
A
ICH
P
I
R
A
L
D
V---RTSSKAQ
A
V
N
V
A
I
W
A
L
A
S
V
VG-V
P
V
A
I
M-GSAQV---E-D-EE
I
E
C
L
V
EIP--T-PQ-D-YW
G
-
P
V
F
A
I
C
I
F
L
F
S
F
I
V
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
R
LR-----------G
V
R
LLS--------------------------------------------G-----------------------------------------------------------------------------------------------------------------------------------------------------------S------------------------------------------------------------------------------------------------------------------------------------------------------------REK
D
R
N
L
R
R
I
T
R
L
V
L
----------
V
V
V
A
V
F
V
GCW
T
P
V
Q
V
F
V
L
AQ------GL-GVQP-------S-
S
E
T
A
V
A
I
L
R
F
C
T
A
L
G
Y
V
N
S
C
L
--
N
P
I
L
Y
A
F
L
DE
N
F
---------
K
A
C
F
R
K
F
C
-
C
A
S
A
L
R
R
DV
Q
V
S
D
R
V
R
S
I
--
A
K
D
V
A
LACKTSETVPRPA---------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
95.00
98%
-159
- C3 -
4EA3
3
C562_ECOLX (first)
A:
[121-405]
----------------------------------------------
P
L
G
L
K
V
T
I
V
G
L
Y
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
L
V
-
L
L
-
T
--
L
P
------
F
Q
G
T
D
I
L
-
L
-
G
F
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
-
V
P
V
A
I
M
-
G
S
A
Q
V
---
E
-
D
-
E
E
I
E
C
L
V
E
I
P
--
T
-
P
Q
-
D
-
Y
W
G
-
P
V
F
A
I
C
I
F
L
F
S
F
I
V
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
R
L
R
-----------
G
V
R
L
L
S
--------------------------------------------
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
R
E
K
D
R
N
L
R
R
I
T
R
L
V
L
----------
V
V
V
A
V
F
V
G
C
W
T
P
V
Q
V
F
V
L
A
Q
------
G
L
-
G
V
Q
P
-------
S
-
S
E
T
A
V
A
I
L
R
F
C
T
A
L
G
Y
V
N
S
C
L
--
N
P
I
L
Y
A
F
L
D
E
N
F
---------
K
A
C
F
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
87.81
60%
-153
- C3 -
4RWA
2
C562_ECOLX (first)
A:
[119-406]
-----------------------------------------------
L
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
-
T
--
L
P
------
F
Q
S
A
K
Y
L
-
M
-
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
M
-
A
V
T
R
P
---
R
-
D
-
G
A
V
V
C
M
L
Q
F
P
--
S
-
P
S
-
W
-
Y
W
D
-
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
----------------------------------------------------------------
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
K
D
R
S
L
R
R
I
T
R
M
V
L
----------
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
------
T
L
V
D
I
D
R
-------
R
-
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
--
N
P
V
L
Y
A
F
L
D
E
N
F
---------
K
R
C
F
R
Q
L
C
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
87.11
60%
-153
- C3 -
4RWA
1
C562_ECOLX (first)
B:
[119-403]
-----------------------------------------------
L
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
-
T
--
L
P
------
F
Q
S
A
K
Y
L
-
M
-
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
M
-
A
V
T
R
P
---
R
-
D
-
G
A
V
V
C
M
L
Q
F
P
--
S
-
P
S
-
W
-
Y
W
D
-
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
---------------------------------------------------------------
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
K
D
R
S
L
R
R
I
T
R
M
V
L
----------
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
------
T
L
V
D
I
D
R
-------
R
-
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
--
N
P
V
L
Y
A
F
L
D
E
N
F
---------
K
R
C
F
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
87.07
60%
-151
- C3 -
4RWD
6
C562_ECOLX (first)
B:
[119-405]
-----------------------------------------------
L
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
-
T
--
L
P
------
F
Q
S
A
K
Y
L
-
M
-
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
M
-
A
V
T
R
P
---
R
-
D
-
G
A
V
V
C
M
L
Q
F
P
--
S
-
P
S
-
W
-
Y
W
D
-
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
-----------
S
V
R
L
L
S
--------------------------------------------
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
K
D
R
S
L
R
R
I
T
R
M
V
L
----------
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
------
T
L
V
D
I
D
R
-------
R
-
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
--
N
P
V
L
Y
A
F
L
D
E
N
F
---------
K
R
C
F
R
Q
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
87.00
60%
-151
- C3 -
4N6H
23
C562_ECOLX (first)
A:
[122-409]
-----------------------------------------------
L
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
-
T
--
L
P
------
F
Q
S
A
K
Y
L
-
M
-
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
M
-
A
V
T
R
P
---
R
-
D
-
G
A
V
V
C
M
L
Q
F
P
--
S
-
P
S
-
W
-
Y
W
D
-
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
-----------
S
V
R
L
L
S
--------------------------------------------
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
K
D
R
S
L
R
R
I
T
R
M
V
L
----------
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
------
T
L
V
D
I
D
R
-------
R
-
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
--
N
P
V
L
Y
A
F
L
D
E
N
F
---------
K
R
C
F
R
Q
L
C
-
R
K
P
C
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
86.82
60%
-151
- C3 -
4RWD
7
C562_ECOLX (first)
A:
[119-406]
-----------------------------------------------
L
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
-
T
--
L
P
------
F
Q
S
A
K
Y
L
-
M
-
E
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
M
-
A
V
T
R
P
---
R
-
D
-
G
A
V
V
C
M
L
Q
F
P
--
S
-
P
S
-
W
-
Y
W
D
-
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
-----------
S
V
R
L
L
S
--------------------------------------------
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
K
D
R
S
L
R
R
I
T
R
M
V
L
----------
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
------
T
L
V
D
I
D
R
-------
R
-
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
--
N
P
V
L
Y
A
F
L
D
E
N
F
---------
K
R
C
F
R
Q
L
C
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
84.33
61%
-154
- C3 -
5C1M
7
?
A:
[18-296]
---------------------------------------------------
I
T
I
M
A
L
Y
S
I
V
C
V
V
G
L
F
G
N
F
L
V
M
Y
V
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
-
T
--
L
P
------
F
Q
S
V
N
Y
L
-
M
-
G
T
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
R
N
A
K
I
V
N
V
C
N
W
I
L
S
S
A
I
G
-
L
P
V
M
F
M
-
A
T
T
K
Y
---
R
-
Q
-
G
S
I
D
C
T
L
T
F
S
--
H
-
P
T
-
W
-
Y
W
E
-
N
L
L
K
I
C
V
F
I
F
A
F
I
M
P
V
L
I
I
T
V
C
Y
G
L
M
I
L
R
L
K
-----------
S
V
R
M
L
S
--------------------------------------------
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
K
D
R
N
L
R
R
I
T
R
M
V
L
----------
V
V
V
A
V
F
I
V
C
W
T
P
I
H
I
Y
V
I
I
K
------
A
L
-
I
T
I
P
-------
E
-
T
T
F
Q
T
V
S
W
H
F
C
I
A
L
G
Y
T
N
S
C
L
--
N
P
V
L
Y
A
F
L
D
E
N
F
---------
K
R
C
F
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
HHSearch
77.43
24%
-135
- C3 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
----------------------------------------------------
P
L
V
V
V
L
S
T
I
C
L
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
-
G
A
V
V
--
M
P
------
M
N
I
L
Y
L
L
-
M
-
S
K
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
L
K
Y
---
R
T
K
T
R
A
S
A
T
I
L
G
A
W
F
L
S
F
L
W
V
-
I
P
I
L
G
W
-
N
H
--------
R
-
R
E
D
K
C
E
T
D
F
Y
--
D
-
V
--------
T
W
F
K
V
M
T
A
I
I
N
F
Y
L
P
T
L
L
M
L
W
F
Y
A
K
I
Y
K
A
V
R
-----------
Q
H
C
N
I
F
--------------------------------------------
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDA--
Y
L
H
M
N
R
E
R
K
A
A
K
Q
L
G
----------
F
I
M
A
A
F
I
L
C
W
I
P
Y
F
I
F
F
M
V
I
------
A
F
-
C
K
N
C
-------
C
----
N
E
H
L
H
M
F
T
I
W
L
G
Y
I
N
S
T
L
--
N
P
L
I
Y
P
L
C
N
E
N
F
---------
K
K
T
F
K
R
I
L
-
H
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
76.72
23%
-144
- C3 -
4MBS
8
CCR5_HUMAN (first)
A:
[38-366]
--------------------------------------------------------
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
S
M
T
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
-
L
L
-
T
--
V
P
------
F
W
A
-
H
Y
A
-
A
-
A
Q
W
D
F
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
F
A
L
K
A
---
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
-
L
P
N
I
I
F
-
T
R
S
Q
K
---
E
-
G
-
L
H
Y
T
C
S
S
H
F
P
--
Y
-
S
Q
Y
Q
-
F
W
K
-
N
F
Q
T
L
K
I
V
I
L
G
L
V
L
P
L
L
V
M
V
I
C
Y
S
G
I
L
K
T
L
L
-----------
R
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
F
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------
V
E
E
E
K
K
R
H
R
D
V
R
L
I
F
----------
T
I
M
I
V
Y
F
L
F
W
A
P
Y
N
I
V
L
L
L
N
T
FQEFF
G
L
-
N
N
C
S
-------
S
-
S
N
R
L
D
Q
A
M
Q
V
T
E
T
L
G
M
T
H
C
C
I
--
N
P
I
I
Y
A
F
V
G
E
E
F
R
N
Y
L
L
V
F
F
Q--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
76.26
28%
-135
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[43-499]
---------------------------------------------
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
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAY
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
E
I
I
K
Q
G
C
E
F
-
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
F
H
C
C
L
--
N
P
I
L
Y
A
F
L
G
A
K
F
---------
K
T
S
A
Q
H
A
L
-
T
S
G
R
P
L
E
V
L
F
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
74.39
24%
-127
* C3 *
2RH1
16
ADRB2_HUMAN (first)
A:
[39-477]
-------------------------------------------------
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
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWD-
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
61
Fugue
72.96
25%
-123
- C3 -
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
IT
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
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
40
HHSearch
72.89
24%
-134
- C3 -
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
---------------------------------------------------
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
GVR
T
-
V
-
E
D
G
E
C
Y
I
Q
F
F
--
S
--------
N
-
A
A
V
T
F
G
T
A
I
A
A
F
Y
L
P
V
I
I
M
T
V
L
Y
W
H
I
S
R
A
S
K
-----------
S
R
I
N
I
F
--------------------------------------------
E
M
L
R
I
D
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWD-
A
------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
P
P
P
S
R
E
K
K
V
T
R
T
I
L
----------
A
I
L
L
A
F
I
I
T
W
A
P
Y
N
V
M
V
L
I
N
------
T
F
-
C
A
P
C
-----------
I
P
N
T
V
W
T
I
G
Y
W
L
C
Y
I
N
S
T
I
--
N
P
A
C
Y
A
L
C
N
A
T
F
---------
K
K
T
F
K
H
L
L
-
M
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
HHSearch
72.00
25%
-141
- C3 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
-----------------------------------------------------
Y
A
L
S
Y
C
A
L
I
L
A
I
V
F
G
N
G
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
L
V
V
S
L
A
V
A
D
L
L
V
-
A
T
L
V
--
M
P
------
W
V
V
Y
L
E
V
T
G
-
G
V
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
V
W
V
L
A
F
A
V
S
-
C
P
L
L
F
G
-
F
N
T
T
------
G
-
D
P
T
V
C
S
I
S
N
P
--------------
D
F
V
I
Y
S
S
V
V
S
F
Y
L
P
F
G
V
T
V
L
V
Y
A
R
I
Y
V
V
L
K
-----------
Q
R
R
R
K
N
--------------------------------------------
I
-----------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
GTWDA
Y
G
V
P
L
R
E
K
K
A
T
Q
M
V
A
----------
I
V
L
G
A
F
I
V
C
W
L
P
F
F
L
T
H
V
L
N
------
T
H
-
C
Q
T
C
----------
H
V
S
P
E
L
Y
S
A
T
T
W
L
G
Y
V
N
S
A
L
--
N
P
V
I
Y
T
T
F
N
I
E
F
---------
R
K
A
F
L
K
I
L
-
S
C
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
59
Fugue
69.14
24%
-103
- C3 -
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
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
TVC
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
F
---------
Q
T
--
P
A
M
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
----------------------------------------------------------------------------------------------------------------------------------------------------
45
HHSearch
68.93
21%
-126
- C3 -
3EML
13
ENLYS_BPT4
A:
[21-472]
--------------------------------------------------
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
----
S
Q
G
C
G
E
G
Q
V
AC
L
F
E
D
-
V
-
V
P
M
-
N
Y
M
V
Y
F
N
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
-----------
R
Q
L
N
I
F
--------------------------------------------
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTW
D
A
Y
------------------------------------------------------------------------------------------------------------------------------------------------------------
R
S
T
L
Q
K
E
V
H
A
A
K
S
L
A
----------
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
------
F
F
-
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
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
57
Fugue
68.38
20%
-112
- C3 -
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
R
S
P
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
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
V
S
K
T
E
T
S
Q
V
A
P
A
---------------------------------------------------------------------------------------------------------------------------------------------------
43
HHSearch
68.22
25%
-136
- C3 -
2KS9
1
NK1R_HUMAN
A:
[33-327]
---------------------------------------------------
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
G
--------------------------------------------
D
SSDR-------------------------------------------------------------------------------------------------------------------------------------------------------
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
-------
Y
L
K
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
C
P
F
I
S
A
G
D
Y
E
G
L
E
M
K
S
--
T
R
Y
L
Q
T
Q
G
S
V
Y
K
V
S
R
L
E
T
---------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
67.66
20%
-129
- C3 -
2Z73
5
OPSD_TODPA
A:
[31-334]
-----------------------------------------------
D
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
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
V
L
T
C
C
Q
F
D
D
K
E
T
E
D
D
K
--
D
A
E
T
E
I
P
A
G
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
66.95
26%
-130
- C3 -
4QKX
2
ADRB2_HUMAN
A:
[197-463]
-----------------------------------------------------------------
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
C
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------