@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 : OR4K5_HUMAN: (2016-01-13 )
MDKSNSSVVSEFVLLGLCSSQKLQLFYFCFFSVLYTVIVLGNLLIILTVTSDTSLHSPMYFLLGNLSFVDICQASFATPKMIADFLSAHETISFSGCIAQIFFIHLFTGGEMVLLVSMAYDRYVAICKPLYYVVIMSRRTCTVLVMISWAVSLVHTLSQLSFTVNLPFCGPNVVDSFFCDLPRVTKLACLDSYIIEILIVVNSGILSLSTFSLLVSSYIIILVTVWLKSSAAMAKAFSTLASHIAVVILFFGPCIFIYVWPFTISPLDKFLAIFYTVFTPVLNPIIYTLRNRDMKAAVRKIVNHYLRPRRISEMSLVVRTSFH
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.-------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------------MDK
S
N
S
S
V
V
S
E
------
F
V
L
--
L
GLCSSQK
L
-------------
Q
L
F
Y
F
C
F
F
S
V
L
Y
T
V
I
V
LG---
N
L
L
I
I
L
T
VTSDTSLHS
P
M
Y
F
L
LGN
L
S
--------------
F
V
D
I
C
Q
ASFA-
T
P
K
M
I
A
D
F
L
S
AHETIS
F
-----------
S
G
C
I
A
Q
I
F
F
I
--
H
L
FTG
G
E
M
V
L
L
V
SMAY
D
R
Y
V
A
I
-------------------------
C
K
P
L
Y
Y
V
V
I
MSRR
T
C
T
V
L
V
M
I
------
S
W
A
V
S
L
V
H
T
L
S
Q
L
-
S
F
T
V
NLP-----FC-----G
P
N
V
V
D
S
F
F
CD------------------LP
R
V
T
K
L
A
C
L
--
D
S
Y
I
I
E
I
L
I
V
VNSGIL
S
L
S
T
-----
F
S
L
L
V
S
S
Y
I
I
I
L
V
T
V
--
W
LKS
S
------------
A
---------------------
A
M
----
A
K
A
F
S
T
L
------
A
S
H
I
------
A
V
V
I
L
FFG
P
C
--------
I
F
I
Y
V----WP-F--T--------I----
S
-----
P
--
L
D
-
K
F
L
A
I
---
F
Y
T
V
F
T
P
V
L
N
P
I
I
Y
T
LRNR
D
M
K
A
A
V
------
R
K
I
V
-
N
H
YLRP----RRIS
E
M
S
L
V
V
R
TSFH-------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
87.81
24%
-140
- C3 -
2YDV
6
?
A:
[21-312]
-----------------------------------------------------------------------
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
A
A
--------------
A
A
D
I
L
V
G
V
L
A
-
I
P
F
A
I
A
--
I
S
T
G
F
C
A
A
C
-----------
H
G
C
L
F
I
A
C
F
V
--
L
V
L
T
A
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
A
H
S
Q
------------------
G
C
G
E
G
Q
V
A
C
L
FE
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
--------
S
T
L
Q
K
E
V
H
A
A
K
S
L
------
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
----
C
P
D
C
--
S
--------
H
----
A
-----
P
--
L
W
L
M
Y
L
A
I
---
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
------
R
K
I
I
R
S
H
V
L
R
Q
----
Q
E
P
F
K
A
A
A
A
E
N
L
Y
F
Q
-------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
85.83
24%
-141
- C3 -
4UG2
3
?
A:
[21-309]
-----------------------------------------------------------------------
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
A
A
--------------
A
A
D
I
L
V
G
V
L
A
-
I
P
F
A
I
A
--
I
S
T
G
F
C
A
A
C
-----------
H
G
C
L
F
I
A
C
F
V
--
L
V
L
T
A
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
A
H
S
Q
------------------
G
C
G
E
G
Q
V
A
C
L
FE
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
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
84.98
24%
-137
- C3 -
2YDO
3
?
A:
[21-312]
-----------------------------------------------------------------------
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
A
A
--------------
A
A
D
I
L
V
G
V
L
A
-
I
P
F
A
I
A
--
I
S
T
G
F
C
A
A
C
-----------
H
G
C
L
F
I
A
C
F
V
--
L
V
L
T
A
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
A
H
S
Q
------------------
G
C
G
E
G
Q
V
A
C
L
FE
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
----------
T
L
Q
K
E
V
H
A
A
K
S
L
------
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
----
C
P
D
C
--
S
--------
H
----
A
-----
P
--
L
W
L
M
Y
L
A
I
---
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
------
R
K
I
I
R
S
H
V
L
R
Q
----
Q
E
P
F
K
A
A
A
A
E
N
L
Y
F
--------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
81.37
24%
-149
- C3 -
3VGA
1
AA2AR_HUMAN
A:
[21-308]
-----------------------------------------------------------------------
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
PLPG
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
81.08
24%
-141
- C3 -
4UHR
1
AA2AR_HUMAN
A:
[21-312]
-----------------------------------------------------------------------
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
A
A
--------------
A
A
D
I
L
V
G
V
L
A
-
I
P
F
A
I
A
--
I
S
T
G
F
C
A
A
C
-----------
H
G
C
L
F
I
A
C
F
V
--
L
V
L
T
A
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
A
---------------------
G
C
G
E
G
Q
V
A
C
L
FE
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
PLPG
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
-----------
H
----
A
-----
P
--
L
W
L
M
Y
L
A
I
---
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
------
R
K
I
I
R
S
H
V
L
R
Q
----
Q
E
P
F
K
A
A
A
A
-------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
80.84
16%
-150
- C3 -
2Z73
5
OPSD_TODPA
A:
[32-336]
-----------------------------------------
A
V
-------------
Y
Y
S
L
G
I
F
I
G
I
C
G
I
I
G
C
G
G
---
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
--------------
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
C
F
L
K
K
W
I
F
G
F
-----------
A
A
C
K
V
Y
G
F
I
G
--
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
-------------------------
G
R
P
M
A
A
S
K
K
M
S
H
R
R
A
F
I
M
I
I
F
------
V
W
L
W
S
V
L
W
A
I
G
P
I
-
F
G
W
G
A
Y
T
-----
L
---------
E
G
V
L
C
N
C
S
------------------
F
D
Y
I
S
-------
R
D
S
T
T
R
S
N
I
L
C
M
F
I
L
G
F
F
G
P
-----
I
L
I
I
F
F
C
Y
F
N
I
V
M
S
V
--
S
N
H
E
K
------------
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
N
A
E
----
M
R
L
A
K
I
S
------
I
V
I
V
------
S
Q
F
L
L
S
W
S
P
Y
--------
A
V
V
A
L
----
L
A
-
Q
--
F
--------
G
PLE-
W
VT---
P
--
Y
A
-
A
Q
L
P
V
---
M
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
------
S
Q
T
F
-
P
W
V
L
T
C
----
C
Q
F
D
D
K
E
T
E
D
D
K
D
A
E
-------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
80.35
24%
-145
- C3 -
3VG9
8
?
A:
[21-309]
-----------------------------------------------------------------------
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
PLPG
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
79.80
18%
-127
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFYVP
F
S
N
K
T
G
V
V
R
S
P
------
F
E
A
PQ
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
--
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
QGSD---
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
LGDD
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
PA-----------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
78.46
23%
-153
- C3 -
3REY
1
AA2AR_HUMAN
A:
[21-305]
-----------------------------------------------------------------------
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
PLPG
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
78.40
15%
-137
- C3 -
2KS9
1
NK1R_HUMAN
A:
[34-329]
----------------------------------------------------------
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
PGDSSDRYH
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
PDL-
Y
LKKFI
Q
--
Q
V
-
Y
L
A
I
M
---
W
L
A
M
S
S
T
M
Y
N
P
I
I
Y
C
C
L
N
D
R
F
R
L
G
F
------
K
H
A
F
-
R
C
C
P
F
I
----
S
A
G
D
Y
E
G
L
E
M
K
S
T
R
Y
-------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
78.16
23%
-149
- C3 -
3PWH
1
?
A:
[21-305]
-----------------------------------------------------------------------
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
FE
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
PLPG
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
77.77
23%
-150
- C3 -
3UZC
1
AA2AR_HUMAN
A:
[21-305]
-----------------------------------------------------------------------
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
PLPG
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
77.57
23%
-149
- C3 -
3RFM
1
AA2AR_HUMAN
A:
[21-305]
-----------------------------------------------------------------------
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
PLPG
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
77.11
23%
-150
- C3 -
3UZA
1
AA2AR_HUMAN
A:
[21-305]
-----------------------------------------------------------------------
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
PLPG
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
73.61
17%
-120
- 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
RSPFEAPQYYLAE
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
QGSD---
F
----
G
-----
P
--
I
F
-
M
T
I
P
A
---
F
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
------
V
T
T
L
-
C
C
G
K
N
P
----
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
-------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
71.64
13%
-122
- 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
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
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
31
HHSearch
70.85
17%
-151
* C3 *
1U19
14
OPSD_BOVIN
A:
[41-329]
---------------------------------------------------------
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
QQESA
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
DFG--
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
D
D
E
A
S
T
T
V
S
K
T
E
T
-------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
69.73
19%
-158
- C2 -
4Q6O
8
?
A:
[21-437]
-----------M
I
E
K
A
P
T
N
V
E
D
R
DK
A
P
H
L
L
L
L
--
A
G
I
Q
G
D
E
P
G
-------------
G
F
N
A
T
N
L
F
L
M
H
Y
S
V
--
L
K
---
G
L
V
E
V
V
P
V
L
N
K
P
S
M
L
R
N
H
R
G
L
Y
G
D
M
N
RKFAALDKNDPE
Y
P
T
I
Q
E
I
K
S
L
I
A
-
K
P
S
-
I
D
A
V
L
H
L
H
D
G
G
G
Y
YRPVYVDAMLN
P
K
R
W
G
N
C
F
I
I
DQ
D
E
V
K
G
A
K
F
P
N
L
L
A
F
A
N
N
T
I
E
S
I
N
A
H
LLHPIE
E
Y
H
L
K
N
TRTAQGD
T
E
M
Q
K
A
L
T
F
Y
A
I
N
Q
K
K
S
A
F
A
N
E
A
S
KELP
L
A
S
R
V
F
Y
H
L
Q
A
I
E
G
L
-
L
N
Q
L
N
I
P
-----
F
K
R
DFDL
N
P
N
S
V
H
A
L
I
N
D
KN
L
W
A
K
I
SSLPKMPLFNL
R
P
K
L
N
H
F
P
L
P
H
-
N
T
K
I
P
Q
I
P
I
E
S
N
A
Y
I
V
G
L
V
K
N
KQ
E
V
F
L
K
Y
G
N
K
L
M
T
R
L
S
P
F
--
Y
I
E
F
D
------------
P
---------------------
S
L
----
E
E
V
K
M
Q
I
------
D
N
K
D
------
Q
M
V
K
I
--
G
S
V
--------
V
E
V
K
E
-----
S
-
F
--
Y
--------
I
----
H
-----
A
--
M
D
-
N
I
R
A
N
VIG
F
S
V
S
N
E
N
K
P
N
E
A
G
Y
T
I
K
F
K
D
F
Q
K
R
F
SLDKQE
R
I
Y
R
-
I
E
F
Y
K
N
----
N
A
F
S
G
M
I
L
V
K
F
V
----------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
63.34
16%
-125
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[39-323]
--------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
60.60
12%
-166
- C2 -
3DOA
-
?
A:
[1-279]
-----------------------------
M
A
Y
--
D
G
L
F
T
K
K
M
V
-------------
E
S
L
Q
F
L
T
T
G
R
V
H
K
I
N
Q
P
D
---
N
D
T
I
L
M
V
V
R
Q
N
R
Q
N
H
Q
L
L
L
S
I
H
P
N
F
S
--------------
R
L
Q
L
T
T
K
P
P
M
-
F
A
R
V
F
R
K
H
L
E
G
---------------------
G
I
I
E
S
I
--
K
Q
I
G
N
D
R
R
I
E
I
D
I
K
S
K
D
E
I
G
D
T
-------------------------
I
Y
R
T
V
I
L
E
I
M
G
K
H
S
--
N
L
I
L
V
------
D
E
N
R
K
I
I
E
G
F
K
H
L
-
T
P
R
T
V
M
P
-----------------
G
F
N
Y
E
A
------------------
P
P
T
Q
H
K
I
N
P
Y
--
D
I
T
G
A
E
V
L
K
Y
I
D
F
N
A
G
----------------------------
N
I
A
------------
K
---------------------
Q
L
----
L
N
Q
F
E
G
F
------
S
P
L
I
------
T
N
E
I
V
S
R
R
Q
-------------------
F
-
M
--
T
--------
S
----
S
-----
T
--
L
P
-
E
A
F
D
E
---
V
M
A
E
T
K
L
P
P
T
P
I
F
H
N
H
E
T
G
K
E
D
F
Y
F
------
I
K
L
N
-
Q
F
N
D
D
T
----
V
T
Y
D
S
L
N
D
L
L
D
R
F
Y
D
A------------------------------------------------------------------------------------------------------------------------------------------------