@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 : OR8K5_HUMAN: (2016-01-14 )
MGQHNLTVLTEFILMELTRRPELQIPLFGVFLVIYLITVVGNLTMIILTKLDSHLHTPMYFSIRHLAFVDLGNSTVICPKVLANFVVDRNTISYYACAAQLAFFLMFIISEFFILSAMAYDRYVAICNPLLYYVIMSQRLCHVLVGIQYLYSTFQALMFTIKIFTLTFCGSNVISHFYCDDVPLLPMLCSNAQEIELLSILFSVFNLISSFLIVLVSYMLILLAICQMHSAEGRKKAFSTCGSHLTVVVVFYGSLLFMYMQPNSTHFFDTDKMASVFYTLVIPMLNPLIYSLRNEEVKNAFYKLFEN
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.....----------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----------------------MGQ
H
N
L
T
V
L
T
E
F
I
L
M
E
L
TR---------------RPELQ-----I
P
----------------
L
F
-----
G
V
F
L
V
I
----------
Y
L
I
T
V
VGN
L
T
M
I
I
L
T
K
L
D
SHLHT
P
M
Y
--
F
S
I
R
H
L
A
F
V
DLGNS
T
---------
V
I-
C
P
K
V
L
A
N
-----
F
V
-VDRN
T
I
S
Y
Y
---------
A
C
A
A
Q
------
L
---------------------
A
F
F
L
M
F
I
I
S
E
-----
F
F
I
L
S
A
--
M
A
-----------
Y
D
R
Y
V
A
I
C
N
P
---
L
L
Y
Y
V
I
---
M
S
Q
R
L
C
H
----------
V
L
-
V
G
I
Q
Y
L
-
Y
S
T
F
Q
A
L
M
F
T
I
-----
K
------
I
F
T
---
L
---------
T
FCG
S
N
V
I
S
H
F---------YCDDVP
L
L
P
M
LCS
N
A
Q
E
--
I
-----
E
L
L
S
I
L
F
------------
S
V
F
N
-
L
I
S
S
----
F
----
L
I
V
L
V
S
Y
M
L
I
L
----------
L
A
----
I
C
Q
M
HSA--------------------E--------
G
R
K
K
A
F
S
T------CG-----S
H
L
T
V
V
--------------------
V
V
F
-------
Y
G
S
L
L
F
M
Y
MQP--N--S---T---H----FF
D
-
T
D
K
--
M
--
A
S
V
F
Y
T
L
V
-----
I
-
P
M
L
--------
N
P
L
I
Y
S
L
R
N
--
E
E
V
K
N
A
F
Y
K
L
FEN----------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
92.47
22%
-168
- C3 -
3VG9
8
?
A:
[12-305]
--------------------------------------------------------------------------------------------
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
LGWNNCGQS
Q
G
C
G
E
G
Q
V
A
C
L
---------
F
E
D
V
V
P
M
N
Y
M
-------------------
V
Y
F
------------
N
F
F
A
C
V
L
V
P
----
L
----
L
L
M
L
G
V
Y
L
R
I
F
----------
L
A
A
R
R
Q
L
K
Q
M
E
S
Q
--------------------
P
L-------
P
G
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
-----
K
S
L
A
I
I
--------------------
V
G
L
-------
F
A
L
C
W
L
P
L
H
I
I
--
N
--
C
---
F
---
T
----
F
F
C
-
P
D
C
--
S
--
H
A
P
L
W
L
M
Y
-----
L
-
A
I
V
L
S
H
T
N
SVV
N
P
F
I
Y
A
Y
R
I
--
R
E
F
R
Q
T
F
R
K
I
I
R
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
92.02
22%
-164
- C3 -
3VGA
1
AA2AR_HUMAN
A:
[12-305]
--------------------------------------------------------------------------------------------
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
LGWNNCGQS
Q
G
C
G
E
G
Q
V
A
C
L
---------
F
E
D
V
V
P
M
N
Y
M
-------------------
V
Y
F
------------
N
F
F
A
C
V
L
V
P
----
L
----
L
L
M
L
G
V
Y
L
R
I
F
----------
L
A
A
R
R
Q
L
K
Q
M
E
S
Q
--------------------
P
L-------
P
G
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
-----
K
S
L
A
I
I
--------------------
V
G
L
-------
F
A
L
C
W
L
P
L
H
I
I
--
N
--
C
---
F
---
T
----
F
F
C
-
P
D
C
--
S
--
H
A
P
L
W
L
M
Y
-----
L
-
A
I
V
L
S
H
T
NSVV
N
P
F
I
Y
A
Y
R
I
--
R
E
F
R
Q
T
F
R
K
I
I
R
S
----------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
84.75
16%
-148
- C3 -
2KS9
1
NK1R_HUMAN
A:
[34-321]
-------------------------------------------------------------------
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
PD-
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
83.59
16%
-148
- C3 -
2Z73
5
OPSD_TODPA
A:
[34-331]
------------------------------------------------------------
Y
-----
Y
S
----------------
L
G
-----
I
F
I
G
I
C
----------
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
--
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
---------
V
N
G
F
P
L
M
T
I
S
-----
C
F
-
L
K
K
W
I
F
G
F
A
---------
A
C
K
V
Y
------
G
---------------------
F
I
G
G
I
F
G
F
M
S
-----
I
M
T
M
A
M
--
I
S
-----------
I
D
R
Y
N
V
I
G
R
P
---
M
A
A
S
K
K
---
M
S
H
R
R
A
F
----------
I
M
-
I
I
F
V
W
L
-
W
S
V
L
W
A
I
G
P
I
F
-----
G
------
W
G
---------------
A
Y
T
-
L
E
G
V
L
C
---------
N
C
S
F
D
Y
I
S
-----
R
D
S
T
--
T
-----
R
S
N
I
L
C
M
------------
F
I
L
G
-
F
F
G
P
----
I
----
L
I
I
F
F
C
Y
F
N
I
V
----------
M
S
----
V
S
N
H
E
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
N
--------
A
E
M
R
L
A
K
I
------
S
I
-----
V
I
V
S
Q
F
--------------------
L
L
S
-------
W
S
P
Y
A
V
V
A
L
L
A
--
Q
--
F
---
G
PLE
W
----
V
T
P
-
Y
A
A
--
Q
--
L
P
V
M
F
A
K
A
-----
S
-
A
I
H
--------
N
P
M
I
Y
S
V
S
H
--
P
K
F
R
E
A
I
S
Q
T
F
P
W
----------------------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
82.63
16%
-141
- 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
FEAPQYYLAE
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
LVGW
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
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---------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
78.51
17%
-197
- C1 -
4R5O
10
?
A:
[2-427]
-------------------DDC
E
D
L
H
L
G
N
L
A
H
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
LNPEG
A
T
Y
S
W
L
V
N
G
K
E
Y
S
T
E
P
T
F
S
Y
K
I
D
N
P
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
FSK
G
F
F
Y
-
V
A
D
G
T
F
N
F
Y
D
TEKK
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
SNRDH
F
Y
I
V
D
A
KT
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
L
K
S
L
N
N
V
R
I
K
N
-----
E
R
LLC--
F
Y
N
---
S
---------
I
I
Y
N
G
K
V
L
S
N
D
TYKDES
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
KDG
N
V
Y
T
-
L
E
S
A
DNGC
N
----
I
V
K
I
K
N
D
F
T
L
E
----------
K
V
----
F
A
N
F
Q
P
A
--------------------
K
--------
G
P
Y
H
S
S
P
T
------
I
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
LKAP
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-----------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
73.25
15%
-125
- 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
TEGY--
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
40
Fugue
73.09
14%
-121
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
------------------------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
GVVRSPFEAPQYYLA
E
P
W
Q
F
-----
S
M
----------------
L
A
-----
A
Y
M
F
L
L
----------
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
--
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
---------
G
G
-
F
T
T
T
L
Y
T
-----
S
L
-
H
G
Y
F
V
F
G
P
T
---------
G
C
N
L
E
------
G
---------------------
F
F
A
T
L
G
G
E
I
A
-----
L
W
S
L
V
V
--
L
A
-----------
I
E
R
Y
V
V
V
C
K
P
---
M
S
N
F
------
R
F
G
E
N
H
----------
A
I
-
M
G
V
A
F
T
-
W
V
M
A
L
A
C
A
A
P
P
-----
L
V
GW
S
R
Y
I
P
E
GM-
Q
---------
C
S
C
G
I
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
TVKEAAAQQQ
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---------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
71.96
16%
-119
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[39-321]
------------------------------------------------------------
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
TQV
I
---
Q
E
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
70.12
14%
-137
- C3 -
1U19
14
OPSD_BOVIN
A:
[41-323]
------------------------------------------------------------------
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
65.48
20%
-162
- C3 -
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
VP
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
63.51
18%
-140
- C3 -
2RH1
6
ADRB2_HUMAN (first)
A:
[40-235]
------------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
59.80
20%
-149
* C3 *
3RZE
2
ENLYS_BPT4 (first)
A:
[9-200]
------------------------------------------------------------------
M
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
--------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
59.43
17%
-151
- 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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
59.31
16%
-193
- C2 -
4XR7
-
PAN3_YEAST
B:
[1-456]
MH
S
L
L
Q
YRSADQLFIPNN
I
R
E
D
L
T
K
K
N
L
S
I
L
Q
V
F
P
S
S
G
K
V
I
---------------
P
S
I
V
Q
DYFNL
V
P
----------------
L
N
FNNKT
T
L
F
K
V
F
S
NYDGK
A
---
Y
V
L
K
R
L
P
N
I
D
K
S
M
N
P
N
K
I
S
K
I
Y
Q
I
W
S
KI
N
C
T
N
L
I
K
F
R
D
I
F
Q
T
T
KFG
D
L
S
I
C
L
V
F
-
D
Y
Y
P
N
S
L
-----
S
L
-
Y
D
Y
H
F
V
N
F
P
---------
K
F
P
I
T
------
N
---------------------
N
Y
L
W
I
Y
L
V
Q
L
-----
T
N
V
I
N
S
--
I
H
S
Q
NLSIGNTLN
W
R
K
V
L
I
T
G
D
P
GR
I
K
L
S
H
C
N
---
F
M
D
L
L
F
N
DDTDTVVSST
I
E
-
G
Q
Q
Q
L
D
-
Y
K
Y
L
G
E
L
L
F
N
L
-----
S
------
I
N
I
---
E
---------
N
S
N
N
N
T
A
P
K
E
Y
---------
R
L
E
E
I
T
--
P
Q
S
I
D
D
M
R
Q
--
I
DDKF
K
D
V
L
K
Y
L
I
S
D
N
G
DSKK----
S
I
H
D
-
L
T
S
H
----
F
YD
K
M
F
M
V
L
E
S
S
Q
T
Y
T
----------
E
Y
----
M
E
S
V
L
S
R
--------------------
E
--------
L
E
N
G
R
L
F
R
------
L
V
-----
N
K
L
N
C
I
FGRIESRIDINWSESGTK
F
P
I
I
L
-------
F
Y
D
Y
V
F
H
Q
V
D
S
--
N
--
G
---
K
---
P
----
I
M
D
-
L
T
H
--
V
--
L
R
C
L
N
K
L
D
A
GIQ
E
K
-
L
M
L
V
TPDEL--
N
C
I
I
I
S
Y
K
E
L
K
D
L
I
E
S
T
F
R
S
I
T
Q
H
----------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
58.97
19%
-156
- C3 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-226]
------------------------------------------------------------------------------------
Y
A
-----
L
S
Y
C
A
L
----------
I
L
A
I
V
F
G
N
G
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
--
Y
L
V
V
S
L
A
V
A
D
L
L
V
A
T
---------
L
V
-
M
P
W
V
V
Y
L
-----
E
V
T
G
G
V
W
N
F
S
R
I
---------
C
C
D
V
F
------
V
---------------------
T
L
D
V
M
M
C
T
A
S
-----
I
W
N
L
C
A
--
I
S
-----------
I
D
R
Y
T
A
V
V
M
P
---
V
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
V
A
----------
L
M
-
I
T
A
V
W
V
-
L
A
F
A
V
S
C
P
L
L
F
-----
G
-------
F
-----------------
N
T
-
T
G
D
P
T
---------
V
C
S
----------
I
S
N
P
--
D
------
F
V
I
Y
S
S
-------------
V
V
S
-
F
Y
L
P
----
F
----
G
V
T
V
L
V
Y
A
R
I
Y
----------
V
V
----
L
K
Q
R
R
R
K
--------------------
N
--------
I
F
E
M
L
R
I
D
------
E
G
-----
L
R
L
K
I
Y
--------------------
K
D
T
-------
E
G
Y
Y
T
I
G
I
G
H
L
--
L
--
T
---
K
---
S
----
P
S
L
-
N
A
A
--
K
--
S
E
L
D
K
A
I
G
-----
R
-
N
T
N
--------
G
V
I
T
K
D
E
A
E
--
K
L
F
N
Q
D
V
D
A
A
V
R
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
58.17
27%
-171
- C3 -
4EIY
17
AA2AR_HUMAN (first)
A:
[37-157]
--------------------------------------------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
57.68
26%
-159
- C3 -
3PWH
1
?
A:
[12-132]
--------------------------------------------------------------------------------------------
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
57.21
18%
-135
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[48-239]
------------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
56.03
26%
-158
- C3 -
3UZC
1
AA2AR_HUMAN
A:
[12-132]
--------------------------------------------------------------------------------------------
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------