@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 : O10D4_HUMAN: (2016-01-11 )
MRNHTMVTEFILLGIPETEGLETALLFLFSSFYLCTLLGNVLILTAIISSTRLHTPMYFFLGNLSIFDLGFSSTTVPKMLFYLSGNSHAISYAGCVSQLFFYHFLGCTECFLYTVMACDRFVAICFPLRYTVIMNHRVCFMLATGTWMIGCVHAMILTPLTFQLPYCGPNKVGYYFCDIPAVLPLACKDTSLAQRVGFTNVGLLSLICFFLILVSYTCIGISISKIRSAEGRQRAFSTCSAHLTAILCAYGPVIVIYLQPNPSALLGSIIQILNNLVTPMLNPLIYSLRNKDVKSDQP
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......-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----------------------MRN
H
T
M
V
T
E
F
I
L
LGIPET-----------E------------
G
L
E
T
A
L
L
F
L
F
S
---
S
--------
F
Y
L
C
T
------
L
L
-----
G
---
N
V
L
I
L
T
A
I
I
SST-----RLHT
P
M
Y
F
F
LGN
L
S
I
F
---DLGFSST-T-
V
P
-
K
M
L
F
Y
LS-G-------NS
H
A
I
S
Y
A
G
C
V
S
Q
L
---------------------
F
---
F
Y
H
F
L
G
C
T
E
---
C
F
L
Y
T
--
V
----
M
A
C
D
R
F
V
A
I
C
F
----------------------------------
P
L
R
Y
T
V
I
---MNH
R
V
C
F
M
---------LAT
G
T
W
M
I
G
---------------
C
V
H
A
-
M
I
LT-------
P
L
T
F
QLPY-----CGPNK
V
G
Y
Y
F
CDIPAVLPLACKD
T
S
L
-
A
-
Q
R
V--GFT
N
V
G
L
L
S
L
-
I
C
---
F
F
---
L
I
L
V
S
--------
Y
T
C-------------------------------IG
I
S
I
S
K
IRSA--------------------E--------
G
R
Q
R
A
F
-------------------
S
T
C
S
A
H
L
T
A
I
L
CAYG--------
P
V
I
V
I
Y
LQP----------------------
N
----
P
----
S
----
A
--
L
-------------
L
G
S
I
-----
I
Q
I
L
N
N
L
V
T
P
M
--
L
N
P
L
I
Y
S
L
RNKDVKSDQP-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
93.75
18%
-148
- C5 -
2Z73
5
OPSD_TODPA
A:
[33-326]
-----------------------------------------------------------------
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
FG--
P
LE--
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
87.40
16%
-144
* C5 *
2KS9
1
NK1R_HUMAN
A:
[35-316]
---------------------------------------------------------------------
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
NPD
L
----
Y
L---
K
--
K
FI
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
85.79
18%
-127
- C5 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-----------------------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
GVVRSPFEAPQ
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
GS--
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
CGKNPSTTVSKTETS
Q
V
A
P
A-------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
84.96
14%
-121
- C5 -
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
36
HHSearch
84.42
17%
-133
- C5 -
1U19
13
OPSD_BOVIN
A:
[41-318]
-------------------------------------------------------------------
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
SDF-
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
84.38
17%
-118
- C5 -
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
VRSPFEAPQYYL
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
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
QGSDFGP----
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
CGKNPLGDDEA
S
T
T
V
S
K
TETSQVAPA-------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
81.34
16%
-134
- C5 -
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
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPL
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
Fugue
80.28
15%
-174
- C4 -
4R5O
10
?
A:
[2-427]
------DDCEDLHLGNLAH
Y
P
N
V
L
K
G
T
F
P
T
E
S
Q
V
L
E
L
G
E
T
-----------
L
------------
E
I
T
P
E
L
L
N
P
E
G
---
A
--------
T
Y
S
W
L
------
V
N
-----
G
---
K
E
Y
S
T
E
P
T
F
S
Y
K
IDNP
C
R
A
D
L
S
C
I
I
K
N
K
Y
G
K
V
E
M
--
S
T
S
F
S
S
N
H
N
-
F
S
-
K
G
F
F
Y
V
A
-
D
G
T
F
N
F
Y
D
T
E
K
K
T
A
Y
Q
D
C
Y
A
S
L
N
AGKTLGIGNY
D
S
A
N
I
I
H
S
NG
K
---
F
Y
L
L
V
G
T
S
T
SNR
D
H
F
Y
I
--
V
D
AKT
L
Y
Y
E
N
S
A
V
V
G
A
----------------------------------
N
L
S
G
L
T
I
---
L
N
E
Q
Y
G
L
V
---------
T
G
D
G
I
R
R
I
D
LKSLNNVRI
K
N
E
R
LL
C
F
Y
N
-
S
I
I
Y
-------
N
G
K
V
L
S
N
D
-----
T
Y
K
D
E
S
K
V
K
Y
Y
D
V
N
E
L
I
A
A
K
E
G
E
A
P
A
-
V
-
T
E
L
--
D
I
I
Q
K
Q
K
I
N
F
-
V
L
---
A
K
DG
N
V
Y
T
L
E
--------
S
A
D
-------------------------------
N
G
C
N
I
V
K
I
K
N
D
--------------------
F
--------
T
L
E
K
V
F
A
NFQPAKGPYHSSPTI
G
M
V
A
S
E
T
E
N
I
I
Y
L
V
S
T
D
G
--------
A
I
Y
K
Y
I
L
G
D
----------------------
S
----
D
----
S
----
L
--
K
-------------
A
P
F
I
A
A
E
S
G
V
S
I
T
A
P
L
Q
L
N
Q
--
Q
S
G
E
L
Y
V
T
Y
T
E
E
R
K
D
E
S
K
I
V
V
Y
S
KDGKVL
H
T
V
D
CGESVPS
Q
I
L
F
NN---------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
79.03
17%
-136
- C5 -
2LNL
-
CXCR1_HUMAN
A:
[38-316]
-----------------------------------------------------------------
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
R------------------
T
----
Q
VIQE
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
73.63
18%
-171
- C5 -
3EML
8
ENLYS_BPT4
A:
[22-221]
-------------------------------------------------------------------
S
V
Y
I
T
V
E
L
---
A
--------
I
A
V
L
A
------
I
L
-----
G
---
N
V
L
V
C
W
A
V
W
L
N
S
-----
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
---
D
I
A
V
G
V
L
-
A
-
I
P
-
F
A
I
T
I
S
T
----------
G
F
C
A
A
C
H
G
C
L
F
I
A
---------------------
C
---
F
V
L
V
L
T
Q
S
S
---
I
F
S
L
L
--
A
----
I
A
I
D
R
Y
I
A
I
R
I
----------------------------------
P
L
R
Y
N
G
L
---
V
T
G
T
R
A
K
G
---------
I
I
A
I
C
W
V
L
S
---------------
F
A
I
G
-
L
T
P
M
-------
L
G
W
N
N
C
G
Q
------------
S
Q
G
C
G
E
G
Q
---
V
A
C
L
F
E
D
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
72.94
17%
-150
- C2 -
1WCD
-
POLS_IBDVC
J:
[11-431]
IVPFIRSLLMPTTGPASIPDDT
L
E
K
H
T
L
R
S
E
T
S
T
Y
N
L
T
V
G
-----------
D
------------
T
-
G
S
G
L
I
V
F
F
P
---
G
FPGSIVGA
H
Y
T
L
Q
------
G
N
-----
G
---
N
Y
K
F
D
Q
M
L
L
T
A
Q
-----
N
L
P
A
S
--
Y
N
Y
C
R
L
V
S
R
---
S
L
T
V
R
S
S
-
T
-
L
P
-
G
G
V
Y
A
L
N
-
G
-------
T
I
N
A
V
T
F
Q
G
S
L
S
E
L
---------------------
T
DVS
Y
N
G
L
M
S
A
T
A
---
N
I
N
D
K
--
I
GN--
V
L
V
G
E
G
V
T
V
L
S
LPTSYDLGYVRLGDPIPAIGLDPKMVATCDSSDR
P
R
V
Y
T
I
T
---
A
A
D
D
Y
Q
F
S
SQYQPGGVT
I
T
L
F
S
A
N
I
D
---------------
A
I
T
S
-
L
S
V
G
G------
E
L
V
F
R
T
S
V
-----
H
G
L
V
L
G
A
T
I
Y
L
I
G
F
D
G
T
T
V
I
T
R
A
V
A
A
-
N
-
N
G
L
TT
G
T
D
N
L
M
P
F
N
L
V
I
P
---
T
N
---
E
I
T
Q
P
--------
I
T
S
-------------------------------
I
K
L
E
I
V
T
S
K
S
---------------------
G
--------
G
Q
A
G
D
Q
-------------------
M
S
W
S
A
R
G
S
L
A
V
T
I
H
G
GNYPGALR
P
V
T
L
V
A
Y
E
R
----------------------
V
----
A
----
T
----
G
--
S
-------------
V
V
T
V
-----
A
G
V
S
N
F
E
L
I
P
----
N
P
E
L
A
K
N
L
V
T
E
Y
G
R
F
D
P
GAMNYTKLILSERDRLGIKTVWPTREYTDFREYFMEVAD----------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
68.08
17%
-152
- C5 -
2RH1
6
ADRB2_HUMAN (first)
A:
[41-236]
-------------------------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
67.55
19%
-157
- C5 -
3RZE
2
ENLYS_BPT4 (first)
A:
[11-200]
---------------------------------------------------------------------
L
V
V
V
L
S
---
T
--------
I
C
L
V
T
------
V
G
-----
L
---
N
L
L
V
L
Y
A
V
R
S
E
R
-----
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
---
D
L
I
V
G
A
V
-
V
-
M
P
-
M
N
I
L
Y
L
L
-
M
-------
S
K
W
S
L
G
R
P
L
C
L
F
W
L
---------------------
S
---
M
D
Y
V
A
S
T
A
S
---
I
F
S
V
F
--
I
----
L
C
I
D
R
Y
R
S
V
Q
Q
----------------------------------
P
L
R
Y
L
K
Y
---
R
T
K
T
R
A
S
A
---------
T
I
L
G
A
W
F
L
S
---------------
F
L
W
V
-
I
P
I
L
-------
G
W
N
-
H
-------------
R
R
E
D
K
C
E
T
D
----------
F
Y
-
D
V
T
W
F
--
K
V
M
T
A
I
I
N
F
Y
-
L
P
---
T
L
---
L
M
L
W
F
--------
Y
A
K
-------------------------------
I
Y
K
A
V
R
Q
H
C
N
I
--------------------
F
--------
E
M
L
R
I
D
-------------------
E
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
--------
T
I
G
I
G
H
L
L
T
----------------------
K
----
S
----
P
----
S
--
L
-------------
N
A
A
K
-----
S
E
L
D
K
A
I
G
R
N
T
--
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
66.05
16%
-156
- C5 -
3ODU
6
CXCR4_HUMAN (first)
A:
[45-240]
---------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
64.71
18%
-153
- C5 -
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
62.70
15%
-166
- C5 -
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
61.33
25%
-154
- C5 -
2Y00
7
ADRB1_MELGA
A:
[7-141]
---------------------------------------
S
-----------
Q
------------
Q
W
E
A
G
M
S
L
L
M
A
---
L
--------
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
D
P
G
C
C
D
F
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
-------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
60.82
10%
-137
- C3 -
1N3L
6
SYYC_HUMAN
A:
[4-342]
----------------------
A
P
S
P
E
E
K
L
H
L
I
T
R
N
L
Q
E
V
-----------
L
------------
G
E
E
K
L
K
E
I
L
K
E
R
E
L
K
--------
I
Y
W
G
T
A
T
T
G
K
P
H
V
-----
A
---
Y
F
V
P
M
S
K
I
A
D
F
L
-----
K
A
G
C
E
V
T
I
L
F
A
D
L
H
A
Y
L
D
N
M
K
A
P
W
E
L
-
L
-
E
L
-
R
V
S
Y
Y
E
N
-
V
-------
I
K
A
M
L
E
S
I
G
V
P
L
E
K
---------------------
L
---
K
F
I
K
---
G
T
---
D
Y
Q
L
S
--
K
----
E
Y
T
L
D
V
Y
R
L
S
S
----------------------------------
V
V
T
Q
H
D
S
---
K
K
A
G
A
E
V
V
---------
K
Q
V
E
H
P
L
L
S
---------------
G
L
L
Y
-
P
G
L
Q
-------
A
L
D
E
E
Y
L
K
-----
V
D
A
Q
F
G
G
I
D
Q
R
K
I
F
T
F
A
E
K
Y
L
P
A
L
G
Y
-
S
-
K
R
V
--
H
L
M
N
P
M
V
P
G
L
-
T
G
SES
K
I
---
D
L
L
D
R
--------
K
E
D
-------------------------------
V
K
K
K
L
K
K
A
F
C
E
--------------------
P
--------
G
N
V
E
N
N
-------------------
G
V
L
S
F
I
K
H
V
L
F
P
L
K
S
--------
E
F
V
I
L
R
D
E
K
WG
G
N
K
T
Y
TA
Y
V
D
L
E
K
D
F
A
A
EVV
H
----
P
----
G
----
D
--
L
-------------
K
N
S
V
-----
E
V
A
L
N
K
L
L
D
P
I
--
R
E
K
F
N
T
P
A
L
K
K
L
A
S
A
A
Y
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
60.50
25%
-153
- C5 -
2Y02
7
ADRB1_MELGA
A:
[7-141]
---------------------------------------
S
-----------
Q
------------
Q
W
E
A
G
M
S
L
L
M
A
---
L
--------
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
D
P
G
C
C
D
F
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
-------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
59.62
25%
-150
- C5 -
2Y01
7
ADRB1_MELGA
A:
[7-141]
---------------------------------------
S
-----------
Q
------------
Q
W
E
A
G
M
S
L
L
M
A
---
L
--------
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
D
P
G
C
C
D
F
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
-------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------