@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 : OR4A8_HUMAN: (2016-01-13 )
MRQNNNITEFVLLGFSQYPDVQNALFVMFLLIYIVTMVGNLLIVVSIIASPFLGSPVYFFLACLSFIDAVYSTTISPVLIVDLLCDKKTISFPACMGQLFIEHLFGDTDVFLLVVMAYDRYVATCKPLRYLTIMNRQVCILLLVVAVTGGFLHSVFQILVVYSLPFCGPNVIYHFFCNIYPLLDLECTDTYFVGLAVVFNGGAICMVIFTLLLISYGVILNSLKTYSPEGRHKAPFICSSHFIMVILFFVPCIFLYVRPVSNFPIDKFLTVFYSVITPKLNPFIYMLRNSEMRNAIENLLGYQSGKTGFRCSKLN
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)
-------------------------------MRQNNNI
T
E
F
V
L
LG--FSQ---------------Y--P
D
V
Q
N
A
L
F
V
M
F
L
L
-----------
I
Y
I
V
T
M
V
G
N
L
L
I
V
V
S
---
I
I
ASPFLG
S
P
V
Y
F
---------------------
F
L
---
A
C
L
S
F
I
D
A
V
Y
S-------TTI-S
P
V
L
I
V
-------
D
LL-CDKK-TIS
F
P
A
C
M
G
Q
------
L
F
I
E
H
LFG------D
T
D
V
F
L
L
V
V
M
A
YD
R
Y
V
ATC-----K
P
L
R
Y
L
T
I---M--NR
Q
V
-
C
I
L
L
L
V
V
A
VT
G
G
F
L
H
S
V
-
F
Q
I
L
V
-
V
YSLP-----FC
G
P
N
V
I
-
Y
H
F
------
F
C-----NI
Y
P
L
L
DLECTD--
T
-
Y
F
V
G
L
A
V
V
FNG
G
A
I
C
M
V
I
F
T
L
L
L
I
S
--
Y
G
-----------
V
I
L
N
------
S
L
K-TYSPE----------------------G---------------------R---------HKA
P
F
I--------C
S
----------------
S
H
F
I
M
V
I
L
--
F
F
V
P
--------
C
I
F
L
Y
VRPV---S---N---F---
P
---
I
----
D
K
---------
F
L
T
V
F
Y
S
V
ITPKLN
P
F
I
Y
M
LR
N
S
E
M
R
N
A
I
E
N
L
LGYQSGKTG-------
F
R
CSKLN---------------------------------------------------------------------------------------------------------------------------------------------------
76
Fugue
84.47
16%
-146
- C5 -
1F88
8
OPSD_BOVIN
A:
[1-348]
------------------MN
G
T
E
G
PNFYVPF
S
N
K
T
G
V
V
R
S
P
F
E
A
P
--
Q
Y
Y
---------------
L
AE
P
W
Q
F
S
M
L
A
A
Y
M
F
L
-----------
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
---
T
V
Q
H
K
K
L
R
T
P
L
N
Y
---------------------
I
L
---
L
N
L
A
V
A
D
L
F
M
V
-------
F
G
G
-
F
T
T
T
L
Y
-------
T
S
L
-
H
G
Y
F
-
V
F
G
P
T
G
C
N
L
E
------
G
F
F
A
T
L
G
G
------
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
-----
K
P
M
S
N
F
R
F
---
G
--
E
N
H
A
-
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
-
P
L
V
G
W
-
S
R
Y
I
P
E
GMQC
S
C
G
I
D
Y
--------------------
Y
T
P
H
E
E
T
N
N
E
--
S
-
F
V
I
Y
M
F
V
V
H
-----
F
I
I
P
L
I
V
I
F
F
C
--
Y
G
-----------
Q
L
V
F
------
T
V
K
E
A
A
A
S
A
----------------------
T
---------------------
T
---------
Q
K
A
E
K
E
--------
V
T
----------------
R
M
V
I
I
M
V
I
--
A
F
L
I
--------
C
W
L
P
Y
A
G
V
A
---
F
---
Y
---
I
---
F
---
T
----
H
Q
GSDFGPIFM
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---------------------------------------------------------------------------------------------------------------------------------------------
81
Fugue
83.98
18%
-192
- C1 -
4XGC
1
ORC5_DROME
E:
[1-458]
-------------------------------
M
E
A
I
C
S
S
L
E
--------
P
L
---------------
F
--
P
C
R
E
A
A
I
E
T
L
G
E
L
IGDSSETYPS
A
I
Y
L
F
G
H
S
G
T
G
K
T
A
L
T
---
R
A
F
L
K
E
C
G
K
R
Q
N
V
---------------------
R
T
---
A
H
L
N
A
I
E
C
-
Y
T
-------
T
K
I
-
M
L
E
I
L
L
-------
D
S
L
-
A
P
D
Q
-
G
D
A
L
K
V
D
N
M
L
------
D
F
V
E
Q
L
R
R
Q
AATRV
E
D
Q
G
F
L
I
A
V
D
N
A
E
R
L
R
D
M
D
A
N
V
L
P
V
L
L
R
L
Q
E
L
---
T
--
N
L
N
L
-
C
V
I
L
L
S
Q
L
P
F
E
K
F
Y
N
K
T
G
L
S
E
I
V
-
C
L
H
L
A
-----
Q
Y
N
K
A
E
T
-
Q
R
I
------
L
G
-----
S
D
F
Q
Q
V
R
N
Q
L
L
E
--
Q
K
K
R
L
E
I
C
Q
E
A
V
T
E
D
F
Y
N
N
Y
L
N
L
F
L
S
V
--
F
Y
KACRD
V
P
E
L
Q
L
T
A
R
K
------
C
L
S
-
T
Y
L
E
P
----------------------
V
LDGTSRLWR------------
H
---------
I
A
G
P
L
R
--------
S
A
L
T
Q
IYMRIES
L
E
L
P
Y
Y
A
K
F
L
L
I
A
A
--
F
L
A
S
H
N
AAKQDK
R
L
F
S
T
T
L
G
P
---
K
---
S
---
F
---
S
---
I
----
D
R
---------
L
L
A
I
F
Y
A
I
L
E
E
K
V
G
L
T
C
N
L
L
S
Q
I
S
T
L
V
H
L
-
N
L
L
S
F
V
S
G
E
Q
N
IME
G
S
A
R
L
Q
C
T
I
G
L
E
F
V
L
Q
I
G
K
V
V
GFNVRQYLCD-------------------------------------------------------------------------------------------------------------------------------
70
HHSearch
83.73
17%
-168
- 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
GPL
E
---
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
---------------------------------------------------------------------------------------------------------------------------------------------------
77
Fugue
80.67
16%
-124
- C5 -
1U19
15
OPSD_BOVIN
A:
[4-349]
-------------------------------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
--
N
K
T
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
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
Q
GSDFGPIFM
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
TETSQVAPA---------------------------------------------------------------------------------------------------------------------------------------
68
HHSearch
78.99
16%
-162
- C5 -
1U19
14
OPSD_BOVIN
A:
[41-328]
------------------------------------------------------------------------
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
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
G
-------
D
D
E
A
S
T
T
---------------------------------------------------------------------------------------------------------------------------------------------------
67
HHSearch
77.00
14%
-166
- C5 -
2KS9
1
NK1R_HUMAN
A:
[35-326]
--------------------------------------------------------------------------
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
NP
D
---
L
---
Y
LK-
K
FI
Q
Q
----
V
Y
---------
L
A
I
M
W
L
A
M
S
S
T
M
Y
N
P
I
I
Y
C
C
L
N
D
R
F
R
L
G
F
K
H
A
F
R
C
C
P
F
I
S
A
-------
G
D
Y
E
G
L
E
---------------------------------------------------------------------------------------------------------------------------------------------------
80
Fugue
76.90
18%
-155
- C5 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
-----------------------------------
S
F
K
C
A
L
T
K
T
G
--
F
----------------------
Q
F
Y
Y
L
P
A
V
Y
I
L
-----------
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
---
F
V
F
H
M
K
P
W
S
G
I
S
V
---------------------
Y
M
---
F
N
L
A
L
A
D
F
L
Y
V
-------
L
T
L
--
P
A
L
I
F
-------
Y
Y
F
-
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
------
R
F
I
F
H
V
N
L
------
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
-----
Y
P
K
S
L
G
R
L
---
K
--
K
K
N
A
-
I
C
I
S
V
L
V
W
L
I
--
V
V
V
A
I
-
S
P
I
L
F
-
Y
S
G
T
G
-----
V
R
K
N
K
T
I
-
T
C
Y
DTTSDE
Y
L
-----
R
S
Y
F
I
Y
S
M
C
T
T
V
--
A
-
M
F
C
V
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
I
Y
K
M
K
--
K
Y
-----------
T
C
T
V
------
C
G
Y
-
I
Y
N
P
E
DGDPDNGVNPGTDFKDIVCPLC
G
---------------------
V
---------
G
K
D
Q
F
E
E
V
EE
P
L
R
R
K
S
----------------
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
--------
Y
I
P
F
H
V
M
K
T
---
M
---
N
---
L
---
R
---
A
----
R
L
D--------
F
Q
T
P
A
M
C
A
F
N
D
R
V
Y
A
T
Y
Q
V
T
R
G
L
A
S
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
D
T
-------
F
R
R
R
------------------------------------------------------------------------------------------------------------------------------------------------------
63
HHSearch
76.37
16%
-165
- C5 -
2LNL
-
CXCR1_HUMAN
A:
[38-322]
----------------------------------------------------------------------
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
TQ-
V
IQE
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
85
Fugue
71.48
13%
-140
- C5 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
-----------------------------------------------------------------
D
--
E
V
W
V
V
G
M
G
I
V
M
S
L
-----------
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
---
I
A
K
F
E
R
L
Q
T
V
T
N
Y
---------------------
F
I
---
T
S
L
A
C
A
D
L
V
M
G
-------
L
A
V
-
V
P
F
G
A
A
-------
H
I
L
-
M
K
M
W
-
T
F
G
N
F
W
C
E
F
W
------
T
S
I
D
V
L
C
V
------
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
-----
S
P
F
K
Y
Q
S
L
---
L
--
T
K
N
K
-
A
R
V
I
I
L
M
V
W
I
V
S
G
L
T
S
F
-
L
P
I
Q
M
-
H
W
Y
R
A
-----
T
-
H
Q
E
A
I
-
N
C
Y
------
A
E
-----
E
T
C
C
D
F
F
T
N
Q
A
Y
--
A
-
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
V
Y
S
R
V
F
Q
E
--
A
K
-----------
R
Q
L
N
------
I
F
E
-
M
L
R
I
D
----------------------
E
---------------------
G
---------
L
R
L
K
I
Y
--------
K
D
----------------
T
E
G
Y
Y
T
I
G
--
I
G
H
L
--------
L
T
K
S
P
S
L
N
A
---
A
---
K
---
S
---
E
---
L
----
D
K
---------
A
I
G
--
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
-------
Y
D
S
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
82
Fugue
70.48
17%
-173
- C3 -
4C2E
-
CTPB_BACSU
A:
[2-436]
AD
S
E
R
D
K
A
M
D
K
I
E
K
A
Y
E
L
I
S
N
EYVEKVD
R
E
K
L
L
E
G
A
I
Q
G
M
L
S
T
L
N
DP
Y
S
V
---------------
Y
--
M
D
K
Q
T
A
K
Q
F
S
D
S
L
-----------
D
S
S
F
E
G
I
G
A
E
V
G
M
E
D
G
K
I
I
I
V
S
P
F
K
K
S
P
A
E
K
A
GLKPNDEIISINGESMAGKD
L
N
---
H
A
V
L
K
I
R
G
K
K
G
-------
S
S
V
-
S
--
M
K
I
-------
Q
R
P
-
G
T
K
K
-
Q
L
S
F
R
I
K
R
A
E
IPLET
V
F
A
S
E
K
K
V
Q
------
G
H
S
V
G
Y
I
A
I
S
T
F
S
E
H
T
T
E
D
-----
F
A
K
A
L
R
E
L
---
E
--
K
K
E
I
E
G
L
V
I
D
V
R
G
N
P
G
G
Y
I
Q
S
V
-
E
E
I
L
K
-----
H
-----
F
V
T
K
D
Q
P
-
Y
I
Q
------
I
A
E
RNG
D
K
K
R
Y
F
S
T
L
T
H
K
K
--
A
-
Y
P
V
N
V
I
T
D
K
G
S
A
A
A
S
E
I
L
A
G
A
L
K
E
A
GH
Y
D
-----------
V
V
G
D
TSFGKG
T
V
Q
-
Q
A
V
P
M
----------------------
G
---------------------
D
---------
G
--------------
S
----------------
N
I
K
L
T
L
Y
K
--
W
L
T
P
--------
N
G
N
W
I
H
K
K
G
---
I
---
E
---
P
---
T
---
I
----
A
I
---------
K
Q
P
D
Y
F
S
A
G
P
L
Q
L
K
E
P
L
K
V
D
M
N
N
E
D
V
K
H
A
Q
V
L
L
K
G
L
S
F
D
P
G
-------
R
E
D
G
Y
F
S
K
D
M
K
K
A
V
M
A
F
Q
D
Q
N
KLNKTGIID
T
R
T
A
E
T
L
N
Q
Q
I
E
K
K
K
S
DEKND
L
Q
L
Q
T
A
L
K
S
L
F--------------------------------------------------------------------------------------------
61
HHSearch
67.79
18%
-169
- C5 -
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
ED
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
K
P
V
Y
D
---------------------------------------------------------------------------------------------------------------------------------------------------
58
HHSearch
64.33
18%
-176
* C5 *
3UON
2
ACM2_HUMAN (first)
A:
[24-215]
------------------------------------------------------------------------
V
F
I
V
L
V
A
G
S
-----------
L
S
L
V
T
I
I
G
N
I
L
V
M
V
S
---
I
K
V
N
R
H
L
Q
T
V
N
N
Y
---------------------
F
L
---
F
S
L
A
C
A
D
L
I
I
G
-------
V
F
S
-
M
N
L
Y
T
L
-------
Y
T
V
-
I
G
Y
W
-
P
L
G
P
V
V
C
D
L
W
------
L
A
L
D
Y
V
V
S
------
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
-----
K
P
L
T
Y
P
V
K
---
R
--
T
T
K
M
-
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
-
P
A
I
L
F
-
W
Q
F
I
V
-----
G
--
V
R
T
V
-
E
D
G
------
E
C
-----
Y
I
Q
F
F
S
------------
N
A
A
V
T
F
G
T
A
I
A
A
F
Y
L
P
V
I
I
M
T
V
L
--
Y
W
-----------
H
I
S
R
------
A
S
K
-
S
R
I
N
I
----------------------
F
---------------------
E
---------
M
L
R
I
D
E
--------
G
L
----------------
R
L
K
I
Y
K
D
T
--
E
G
Y
Y
--------
T
I
G
I
G
H
L
L
T
---
K
---
S
---
P
---
S
---
L
----
N
A
---------
A
K
S
E
L
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
-------
K
L
K
P
V
Y
D
---------------------------------------------------------------------------------------------------------------------------------------------------
60
HHSearch
63.64
18%
-174
- C5 -
2RH1
6
ADRB2_HUMAN (first)
A:
[40-236]
-----------------------------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------
59
HHSearch
62.34
21%
-167
- C5 -
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
K
P
V
Y
D
---------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
59.67
26%
-161
- C5 -
4GBR
1
ADRB2_HUMAN
A:
[14-134]
--------------------------------------------------------------------------------
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
I
D
------
K
F
C
-
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
59.64
24%
-157
- C5 -
4MQT
2
ACM2_HUMAN
A:
[52-209]
----------------------------------------------------------------------------------------------
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
GYWPLG
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
P
S
R
----------------------
E
---------------------
K
---------
K
V
T
R
T
I
--------
L
A
----------------
I
L
L
A
F
I
I
T
--
W
A
P
Y
--------
N
V
M
V
L
I
N
T
F
---
C
---
A
---
P
---
C
---
I
----
P
N
---------
T
V
W
T
I
G
Y
W
L
C
Y
I
N
S
T
I
N
P
A
C
Y
A
L
C
N
A
T
F
K
K
T
F
K
H
L
L
M
C
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
58.88
24%
-164
- C5 -
3UON
2
ACM2_HUMAN (first)
A:
[35-193]
----------------------------------------------------------------------------------------------
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
K
P
V
---------------------------------------------------------------------------------------------------------------------------------------------------
66
HHSearch
58.87
15%
-163
- C5 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-226]
--------------------------------------------------------------------------
Y
A
L
S
Y
C
A
-----------
L
I
L
A
I
V
F
G
N
G
L
V
C
M
A
---
V
L
K
E
R
A
L
Q
T
T
T
N
Y
---------------------
L
V
---
V
S
L
A
V
A
D
L
L
V
A
-------
T
L
V
-
M
P
W
V
V
Y
-------
L
E
V
T
G
G
V
W
-
N
F
S
R
I
C
C
D
V
F
------
V
T
L
D
V
M
M
C
------
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
-----
M
P
V
H
Y
Q
H
G
T
G
Q
S
--
S
C
R
R
-
V
A
L
M
I
T
A
V
W
V
L
A
F
A
V
S
C
-
P
L
L
F
G
-
F
N
T
T
------------
G
-
D
P
T
------
V
C
-----
S
I
S
N
-------------
P
--
D
F
V
I
Y
S
S
V
V
S
F
Y
L
P
F
G
V
T
V
L
V
--
Y
A
-----------
R
I
Y
V
------
V
L
K
-
Q
R
R
R
K
----------------------
N
---------------------
I
---------
F
E
M
L
R
I
--------
D
E
----------------
G
L
R
L
K
I
Y
K
--
D
T
E
G
--------
Y
Y
T
I
G
I
G
H
L
---
L
---
T
---
K
---
S
---
P
----
S
L
---------
N
A
A
K
S
E
L
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
-------
N
A
K
L
K
P
V
---------------------------------------------------------------------------------------------------------------------------------------------------
62
HHSearch
58.69
16%
-156
- C5 -
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
L
K
P
V
Y
---------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
58.69
26%
-170
- C5 -
3D4S
6
ENLYS_BPT4
A:
[50-170]
--------------------------------------------------------------------------------
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
P
V
Y
D
S
L
D
-------
A
V
R
R
A
A
L
---------------------------------------------------------------------------------------------------------------------------------------------------