@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 : OR1N2_HUMAN: (2016-01-12 )
MEGFYLRRSHELQGMGKPGRVNQTTVSDFLLLGLSEWPEEQPLLFGIFLGMYLVTMVGNLLIILAISSDPHLHTPMYFFLANLSLTDACFTSASIPKMLANIHTQSQIISYSGCLAQLYFLLMFGGLDNCLLAVMAYDRYVAICQPLHYSTSMSPQLCALMLGVCWVLTNCPALMHTLLLTRVAFCAQKAIPHFYCDPSALLKLACSDTHVNELMIITMGLLFLTVPLLLIVFSYVRIFWAVFVISSPGGRWKAFSTCGSHLTVVLLFYGSLMGVYLLPPSTYSTERESRAAVLYMVIIPTLNPFIYSLRNRDMKEALGKLFVSGKTFFL
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----------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----ME
G
-
F
Y
L
-RRSHELQGMGKPGRV
N
Q
T
T
V
S
D
F
L
L
L
G
L
S
EW-PEEQP
L
L
F
G
I
----
F
L
G
M
Y
-
L
V
T
M
V-G-------
N
L
L
I
I
L
-
A
ISSD--PHLH
T
P
M
Y
F
F
L
------------ANLSL
T
D
A
CFTS
A
S
-
I
P
K
M
-
L
A
N
IHTQ
S
Q
I
I
S
YS
G
-
C
--
L
A
Q
L
Y
F
L
L
M
FG------------------------------------------
G
L
D
N
C
L
L
-
A
V
M
A
Y
D
R
Y
V
A
I
CQPLHYSTS-M
S
P
Q
L
C
A
L
M
L
G
---------------
V
C
-
W
V
L--TN----
C
P
A
L
M
H
T
L
L
L
T
R
------
V
A
F
C
----
A
Q
KAI
P
H
---------FYC
D
P
---
S
A
L
L
K
LAC--S-------DTH--
V
N
E
L
M
I
--------
I
T
M
G
L
L
F
L
T
V
P
L
L
L
I
---------
V
F
S
Y
V
R
I
F
W
--
A
V
F
V
I
SS-------PG--------------------G--------R-----
W
K
A
F
S
TCG
S
H
L
T
V
----
V
L
L
F
Y
G
S
L
M
G
V
Y
-----
L
LPPS-T-------Y---S------T--ER-------ES
R
-----------
A
A
--
V
L
Y
--
M
V
I
I-----PTL
N
P
F
I
Y
S
L
RNR
D
M
K
E
A
L
G
K
L
F
VSGKTFFL------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
89.71
18%
-127
- C5 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
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
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
Q
GSDFGPI
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
TVSKTETS
Q
V
A
P
A-----------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
89.10
23%
-157
- C5 -
3RFM
1
AA2AR_HUMAN
A:
[14-305]
------------------------------------------------------------
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
QPL
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
K
I
I
R
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
88.87
23%
-157
- C5 -
3UZC
1
AA2AR_HUMAN
A:
[14-305]
------------------------------------------------------------
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
QPL
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
K
I
I
R
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
88.75
23%
-157
- C5 -
3PWH
1
?
A:
[14-305]
------------------------------------------------------------
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
LF
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
QPL
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
K
I
I
R
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
88.66
23%
-162
- C5 -
3VG9
8
?
A:
[14-305]
------------------------------------------------------------
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
K
Q
M
E
S
Q
PL
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
88.30
23%
-158
- C5 -
3REY
1
AA2AR_HUMAN
A:
[14-305]
------------------------------------------------------------
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
QPL
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
K
I
I
R
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
88.21
23%
-155
- C5 -
3UZA
1
AA2AR_HUMAN
A:
[14-305]
------------------------------------------------------------
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
QPL
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
K
I
I
R
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
86.69
18%
-144
- C5 -
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
G
DSSDRYH
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
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
85.74
20%
-145
- C5 -
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
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
82.28
17%
-123
- C5 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
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
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
--------
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
QGSDFGPIFM
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
G
DDEA
S
T
T
V
S
K
TETSQVAPA-----------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
74.94
18%
-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
GR
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--------
33
HHSearch
74.47
17%
-121
- C5 -
1U19
14
OPSD_BOVIN
A:
[37-326]
---------------------------------------------
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
-------
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
Q
-------
G
SD-
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
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
73.26
20%
-144
- C1 -
3J7W
-
CAPSA_BPT7
A:
[2-344]
-------------
A
S
M
T
G
G
Q
Q
M
G
T
N
Q
G
K
G
V
V
A
A
G
D
K
L
A
L
F
L
K
V
F
-
G
G
E
V
L
T
A
F
A
-----------
R
T
S
V
T
-
T
-------
S
R
H
M
V
R
-
S
I
S
S
G
--
K
S
A
Q
F
P
V
L
G
R
T
------------
Q
A
A
Y
L
A
P
G
----
E
N
-
L
D
D
K
-
R
K
D
I
K
H
T
E
K
V
I
T
I
D
G
-
L
--
L
T
A
D
V
L
I
Y
D
I
E
------------------------------------------
D
A
M
N
H
Y
D
-
V
R
S
E
Y
T
S
Q
L
G
E
S
L
A
M
A
A
D
G
A
-
V
L
A
E
I
A
G
L
C
N
V
ESKYNENIEG
L
G
T
A
T
V
I
-
E
T
T
--
Q
N
----
K
A
A
L
T
D
Q
V
A
L
G
K
------
E
I
I
A
A
L
T
K
A
R
A
A
L
T
K
N
YVPA
A
D
R
V
F
Y
C
D
P
D
S
Y
S
A
I
L
A
A
L
M
--
P
-------
N
A
A
--
N
Y
A
A
L
I
DPEKGSIR
N
V
M
G
F
E
V
V
E
V
P
H
L
T
A
GGAGTAREG
T
T
G
Q
K
H
V
F
-----------------
P
A
--------------------
N
--------
K
-----
G
E
G
N
V
K
V
A
K
D
N
V
I
----
G
L
F
M
H
R
S
A
V
G
T
V
-----
K
L
R
D
----------
L
---
A
------
L
--
E
R
-------
A
R
R
-----------
A
N
--
F
Q
A
--
D
Q
I
I
-----
A
K
Y
A
M
G
H
G
G
L
R
----
P
E
A
A
G
A
V
V
F
K
V
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
69.25
19%
-116
- C5 -
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
RTQVIQE
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
69.00
20%
-134
- C3 -
4KQ7
6
?
A:
[2-374]
-----
Q
S
N
M
T
N
E
M
F
D
L
A
K
L
K
S
G
V
K
N
K
R
I
S
S
T
D
P
T
G
G
N
R
D
H
L
E
P
F
K
P
G
E
K
R
I
I
A
D
I
K
G
M
G
V
I
N
H
I
-
W
V
T
I
A
-
P
PPPTLSR
N
D
I
I
I
R
M
Y
W
D
G
N
DY
P
S
V
E
S
P
I
G
P
F
F
GQGWD
E
R
Y
N
Y
A
S
L
P
L
S
A
G
P
E
N
G
T
G
L
S
-
C
Y
F
A
M
P
F
E
K
G
A
R
I
E
I
E
N
Q
S
D
R
N
--
I
D
A
F
Y
F
Y
V
D
Y
L
E
M
AKLPKD
M
G
R
F
H
A
W
Y
N
H
N
LTEALPEGETEWGVT
G
A
Q
K
P
N
TT
G
E
R
N
Y
V
F
M
E
T
Q
G
K
G
H
F
V
G
I
N
Y
Y
V
H
C
P
T
P
M
W
Y
G
E
------
G
---------------
D
D
M
W
F
I
DG
E
K
----
V
P
S
L
I
G
T
G
T
E
D
F
F
N----
T
A
W
C
----
P
K
E
A
F
S
H
---------
P
Y
F
G
----------------------
Y
P
R
--
V
N
N
--------------
D
I
G
W
L
G
R
T
H
V
Y
R
---------
F
F
I
E
D
P
I
F
F
E
K
S
L
K
G
T
I
E
-------
H
G
-------------------------------------
S
N
N
N
L
T
L
D
L
S
T
----
V
A
Y
W
Y
Q
D
--
S
A
V
-----
A
L
P
E
A
-
P
-------
T
---
K
------
A
--
Q
R
-------
A
P
K
---------------------------------
P
F
I
N
H
V
D
I
H
R
W
R
D
A
W
R
K
S
K
G
N
K
A
T
L
W
G
NE----------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
68.09
25%
-162
- C5 -
3D4S
6
ENLYS_BPT4
A:
[45-231]
-----------------------------------------------------
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
W
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
67.83
23%
-175
- C5 -
3EML
8
ENLYS_BPT4
A:
[23-222]
--------------------------------------------------
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
VV
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
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
67.38
25%
-160
- C5 -
3NY9
4
ADRB2_HUMAN (first)
A:
[45-231]
-----------------------------------------------------
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
W
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
66.93
16%
-128
- C5 -
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
GIGH
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
2
PsiBlast_PDB
66.65
25%
-156
- C5 -
4LDL
3
ADRB2_HUMAN
A:
[186-372]
-----------------------------------------------------
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------