@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 : OR7D4_HUMAN: (2016-01-14 )
MEAENLTELSKFLLLGLSDDPELQPVLFGLFLSMYLVTVLGNLLIILAVSSDSHLHTPMYFFLSNLSFVDICFISTTVPKMLVSIQARSKDISYMGCLTQVYFLMMFAGMDTFLLAVMAYDRFVAICHPLHYTVIMNPCLCGLLVLASWFIIFWFSLVHILLMKRLTFSTGTEIPHFFCEPAQVLKVACSNTLLNNIVLYVATALLGVFPVAGILFSYSQIVSSLMGMSSTKGKYKAFSTCGSHLCVVSLFYGTGLGVYLSSAVTHSSQSSSTASVMYAMVTPMLNPFIYSLRNKDVKGALERLLSRADSCP
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)
--------------ME
A
E
N
L
T
E
L
S
K
F
L
LLGLSDDP
E
L
Q
P
----------------
V
L
F
G
------
L
F
L
S
M
Y
L
--
V
T
V
LG
N
L
L
I
I
L
A
VSSDSHL
H
T
P
M
Y
F
F
L
SNL
S
F
V
D
I
C
F
ISTT-
V
P
K
-
M
L
V
S
IQ-A-RSKD
I
S
Y
M
G
C
L
T
Q
V
Y
F
L
M
M
F
A
G
M
D
T
F
L
L
A
V
M
A
Y
D
R
F
V
A
I
CHP
L
H
Y
---
T
V
I---M
N
P
C
L
C
G
L
L
V
L
A
S
W
F
I
I
F
W
F
S
L
V
H
I
L
L
-
M
K
----
R
LTFSTGTEIP---HFFC
E
P
A
Q
V
L
K
V
A
C
S
-------
N
T
L
L
-
N
-
N
I
V
L
Y
--
V
A
T
A
L
L
G
V
F
P
V
A
G
---
I
L
F
S
Y
S
Q
I
V
S
S
L
MGMSST--------------------K--------G----K
Y
K
A
F
S
------
T
CGS
H
L
C
V
V
S
L
F
Y
GT
G
L
G
V
Y
L
S
S
A
VT---H------------S-------SQ-------SS
S
T
A
S
V
M
Y
A
M
V
T
P
--
M
L
N
P
F
I
Y
------
S
-LRNK
D
V
K
G
A
L
E
R
L
L
S
RADSCP-------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
92.46
17%
-136
- 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
PFEAPQYYLAE
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
DYYTPH
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
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
C
G
K
N
P
S
TTVSKTETS
Q
V
A
P
A-----------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
88.40
18%
-138
- C3 -
2Z73
5
OPSD_TODPA
A:
[33-333]
------------------------------------
V
Y
Y
----------------
S
L
G
I
------
F
I
G
I
C
G
I
--
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
-
M
T
I
S
C
F
-
L
-
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
---
S
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
I
F
G
-
W
G
----
A
Y
T
L
----
E
G
V
---
L
C
N
C
S
F
D
Y
I
S
------------
R
D
S
T
-
T
-
R
S
N
I
L
--
C
M
F
I
L
G
F
F
G
P
I
L
I
---
I
F
F
C
Y
F
N
I
V
M
S
V
S
N
H
E
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
N
--------
A
----
E
M
R
L
A
K
------
I
S
I
V
I
V
S
Q
F
L
L
S
W
S
P
Y
A
V
V
A
L
L
A
Q
F
G
---
P
LEW---------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
85.75
15%
-133
- C3 -
2KS9
1
NK1R_HUMAN
A:
[34-324]
-------------------------------------------------------
L
W
A
A
------
A
Y
T
V
I
V
V
--
T
S
V
V
G
N
V
V
V
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
L
V
N
L
A
F
A
E
A
S
M
A
A
F
N
-
T
V
V
-
N
F
T
Y
A
V
-
H
-
N
E
W
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
---
R
L
-----
S
A
T
A
T
K
V
V
I
C
V
I
W
V
L
A
L
L
L
A
F
P
Q
G
Y
Y
-
S
T
----
T
-
E
T
----
M
P
S
---
R
V
V
C
M
I
E
W
P
E
H
P
----------
N
K
I
Y
-
E
-
K
V
Y
H
I
--
C
V
T
V
L
I
Y
F
L
P
L
L
V
---
I
G
Y
A
Y
T
V
V
G
I
T
L
W
A
S
E
I
P
GDSSDRYH
E
Q
V
---------
S
--------
A
----
K
R
K
V
V
K
------
M
M
I
V
V
V
C
T
F
A
I
C
W
L
P
F
H
I
F
F
L
L
P
Y
I
N
---
P
------------
D
LYLKKF-
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
81.22
16%
-119
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFYVPFS
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
GM
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
QGSDF
G
P
-------
I
F
M
T
I
P
A
F
F
A
K
T
S
A
--
V
Y
N
P
V
I
Y
------
I
-
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
GDDEA
S
T
T
V
S
K
TETSQVAPA-----------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
80.84
18%
-120
- C3 -
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
---
R
TQVIQE
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
79.57
16%
-130
- C3 -
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
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
QGS
D
------------
F
-------
G
P
-------
I
F
M
T
I
P
A
F
F
A
K
T
S
A
--
V
Y
N
P
V
I
Y
------
I
-
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
76.95
15%
-130
- C3 -
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----
24
HHSearch
72.15
22%
-177
- C3 -
3EML
8
ENLYS_BPT4
A:
[22-222]
--------------------------------------
S
----------------
V
Y
I
T
------
V
E
L
A
I
A
V
--
L
A
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
A
-
I
P
F
-
A
I
T
I
S
T
----
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
---
N
G
L
---
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
G
-
W
N
----
N
C
G
Q
----------
S
Q
G
C
G
E
G
Q
---
V
A
C
L
-------
F
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
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
71.50
14%
-130
- 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
TEG
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
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
47
Fugue
68.25
17%
-133
- C2 -
4RNZ
9
?
A:
[1-369]
---M
E
R
L
V
W
D
KLT
L
L
G
F
L
E
K
N
H
I
P
Q
K
L
Y
Y
N
L
S
S
Q
D
K
E
L
S
----------------
A
E
I
Q
------
S
N
V
T
Y
Y
T
--
L
R
D
A
N
N
T
L
I
Q
A
L
I
P
I
S
Q
D
L
Q
I
H
I
Y
K
K
G
E
D
Y
F
L
D
F
I
P
I
I
F
T
R
-
K
E
K
T
L
L
L
S
L
Q
-
T
S
P
Y
Q
D
I
I
K
A
T
N
D
P
L
L
A
N
Q
L
M
N
A
Y
K
K
S
V
P
F
K
R
L
V
K
N
D
K
I
A
I
V
Y
T
R
D
Y
R
VG
Q
A
F
---
G
Q
P
T
I
K
M
A
M
V
S
S
R
S
N
Q
Y
Y
L
F
S
H
S
N
G
H
Y
-
Y
D
--------
S
K
A
Q
E
V
A
---
G
F
L
------
L
E
T
P
V
K
-------
Y
T
R
I
-
S
-
S
P
F
S
Y
GR
F
H
R
P
H
Y
G
V
D
Y
A
A
K
HGS
L
I
H
S
A
S
D
G
R
V
G
F
M
G
V
K
A
G
--------------------
Y
--------
G
----
K
V
V
E
I
H
------
L
N
E
L
R
L
V
Y
A
H
M
S
A
F
A
N
-
G
L
K
K
G
S
F
V
K
---
K
------------
G
-------
Q
I
I
G
R
V
---
G
S
T
G
P
H
L
H
F
G
V
Y
K
N
SR
P
I
N
P
L
G
Y
IRT
A
K
S
K
-
L
H
G
K
Q
R
E
V
F
L
E
K
A
Q
R
S
K
Q
K
L
E
E
L
L
K
T
H
SFEKNSFYLLEGFLEHHHH------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
68.18
19%
-159
- C3 -
3RZE
2
ENLYS_BPT4 (first)
A:
[11-201]
--------------------------------------------------------
L
V
V
------
V
L
S
T
I
C
L
--
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
V
V
-
M
P
M
-
N
I
L
Y
L
L
-
M
-
S
K
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
---
L
K
Y
---
R
T
K
T
R
A
S
A
T
I
L
G
A
W
F
L
S
F
L
W
V
I
P
I
L
-
G
-
W
N
----
H
--------
R
R
---
E
D
K
C
E
T
D
F
Y
D
-----------------
V
-
T
W
F
K
V
--
M
T
A
I
I
N
F
Y
L
P
T
L
L
---
M
L
W
F
Y
A
K
I
Y
K
A
V
R
Q
H
C
N
I
--------------------
F
--------
E
----
M
L
R
I
D
E
------
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
---
S
------------
L
-------
N
A
-------
A
K
S
E
L
D
K
A
I
G
R
N
T
N
--
G
V
I
T
K
D
E
------
A
-
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
67.07
19%
-155
- C3 -
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
A
A
V
R
G
I
L
R
N
A
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
65.70
24%
-187
- C3 -
4EIY
19
AA2AR_HUMAN (first)
A:
[24-166]
------------------------------------
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
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
T
T
R
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
65.52
17%
-160
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-240]
------------------------------------
N
K
I
----------------
F
L
P
T
------
I
Y
S
I
I
F
L
--
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
-
I
T
-
L
P
F
-
W
A
V
D
A
V
---
A
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
---
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
F
-
A
N
----
V
S
E
-----
A
D
D
---
R
Y
I
C
D
R
F
Y
P
N
-------------
D
L
W
-
V
-
V
V
F
Q
F
--
Q
H
I
M
V
G
L
I
L
P
G
I
V
---
I
L
S
C
Y
C
I
I
I
S
K
L
S
H
S
G
S
N
--------------------
I
--------
F
----
E
M
L
R
I
D
------
E
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
---
P
------------
S
-------
L
N
-------
A
A
K
S
E
L
D
K
A
I
G
R
N
T
--
N
G
V
I
T
K
D
------
E
-
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
65.42
18%
-161
- C3 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-227]
--------------------------------------------------------
Y
A
L
------
S
Y
C
A
L
I
L
--
A
I
V
F
G
N
G
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
L
V
V
S
L
A
V
A
D
L
L
V
A
T
L
V
-
M
P
W
-
V
V
Y
L
E
V
T
G
-
G
V
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
---
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
V
W
V
L
A
F
A
V
S
C
P
L
L
F
G
-
F
N
----
T
T
G
-------
D
---
P
T
V
C
S
-----------------
I
S
N
----
P
D
F
V
I
--
Y
S
S
V
V
S
F
Y
L
P
F
G
V
---
T
V
L
V
Y
A
R
I
Y
V
V
L
K
Q
R
R
R
K
--------------------
N
--------
I
----
F
E
M
L
R
I
------
D
E
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
---
S
------------
P
-------
S
L
-------
N
A
A
K
S
E
L
D
K
A
I
G
R
N
--
T
N
G
V
I
T
K
------
D
-
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
65.00
18%
-161
- C3 -
3UON
2
ACM2_HUMAN (first)
A:
[24-215]
--------------------------------------
V
----------------
F
I
V
L
------
V
A
G
S
L
S
L
--
V
T
I
I
G
N
I
L
V
M
V
S
I
K
V
N
R
H
L
Q
T
V
N
N
Y
F
L
F
S
L
A
C
A
D
L
I
I
G
V
F
S
-
M
N
L
-
Y
T
L
Y
T
V
-
I
-
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
L
T
Y
---
P
V
K
---
R
T
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
P
A
I
L
F
-
W
Q
----
F
I
V
G
V
--
R
T
V
E
---
D
G
E
C
Y
I
Q
F
----------------
F
S
-
N
-
A
A
V
T
F
--
G
T
A
I
A
A
F
Y
L
P
V
I
I
---
M
T
V
L
Y
W
H
I
S
R
A
S
K
S
R
I
N
I
--------------------
F
--------
E
----
M
L
R
I
D
E
------
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
---
S
------------
L
-------
N
A
-------
A
K
S
E
L
D
K
A
I
G
R
N
T
N
--
G
V
I
T
K
D
E
------
A
-
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
64.51
24%
-168
- C3 -
4DAJ
2
ACM3_RAT (first)
A:
[12-173]
-------------------------------------------------------
V
V
F
I
------
A
F
L
T
G
F
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
P
P
G
E
C
F
I
---
Q
F
L
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
64.16
23%
-167
- C3 -
4U14
1
ENLYS_BPT4
A:
[9-173]
------------------------------------
I
W
Q
----------------
V
V
F
I
------
A
F
L
T
G
F
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
YFVG
K
R
T
V
P
P
G
E
C
F
I
---
Q
F
L
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
C
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
--------------------
D
--------
C
----
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
C
A
L
I
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
63.14
26%
-185
- C3 -
3REY
1
AA2AR_HUMAN
A:
[14-141]
-------------------------------------------------------------------
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
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
Q
P
L
P
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
-------
F
C
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
62.93
26%
-187
- C3 -
3RFM
1
AA2AR_HUMAN
A:
[14-141]
-------------------------------------------------------------------
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
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
Q
P
L
P
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
-------
F
C
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------