@TOME V2.3
(Nov 2016)
Ref.
-
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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 : OR6V1_HUMAN: (2016-01-14 )
MANLSQPSEFVLLGFSSFGELQALLYGPFLMLYLLAFMGNTIIIVMVIADTHLHTPMYFFLGNFSLLEILVTMTAVPRMLSDLLVPHKVITFTGCMVQFYFHFSLGSTSFLILTDMALDRFVAICHPLRYGTLMSRAMCVQLAGAAWAAPFLAMVPTVLSRAHLDYCHGDVINHFFCDNEPLLQLSCSDTRLLEFWDFLMALTFVLSSFLVTLISYGYIVTTVLRIPSASSCQKAFSTCGSHLTLVFIGYSSTIFLYVRPGKAHSVQVRKVVALVTSVLTPFLNPFILTFCNQTVKTVLQGQMQRLKGLCKAQ
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)
--MANLSQPS
E
F
V
L
L
G
F
S
S
---------------
F
G
E
L
Q
----------------
A
L
L
Y
G
P
F
L
M
L
Y
L
L
A
FMG
N
T
I
I
I
V
M
V
I
ADTHLHT
P
M
Y
F
F
L-G
N
F
S
L
L
E
I
L
V
T
M
T
A
-
V
P
R
M
L
S
D
L
L-V----PH
K
V
I
T
F
T
G
C
M
V
Q
-
F
Y
F
H
FSLG
S
T
S
F
L
I
L
T
D
M
A
L
D
R
F
V
A
I
C
H
P
-----
L
R
Y
G
T
L
---
M
S
R
A
M
C
V
Q
LAG
A
A
W
A
A
P
F
-
L
A
M
V
P
T
V
---------
L
S
R
A
H
L
D
Y
C
H
G
D
V
I
N
H
FFCDNE
P
L
L
Q
LSC-----S--------D
T
-
R
L
L
-
E
F
W
D
F
L
M
A
L
T
F
V
L
S
S
F
L
V
T
L
IS
Y
G
Y
--
I
V
T
T
V
LRIPS
A
S
-----------
S
--------------------
C
Q
K
A
F
S
TCGS
H
L
T
L
V
--
F
I
GYS
S
T
--------
I
F
L
Y
VRPG----K--A------
H
---
S
--
V
Q
-------
V
R
---
K
V
V
A
L
V
T
------------
S
V
L
T
P
F
L
N
P
F
I
L
T
F
C
N
Q
T
V
K
T
V
L
Q
-
G
Q
M
Q
R
L
K
G
L
CKAQ------------------------------------------------------------------------------------------------------------------------------------------------------------
38
Fugue
91.43
17%
-122
- 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
SPFEAPQYYLAE
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
DYYTPHE
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
G
K
N
P
S
T
T
V
SKTETS
Q
V
A
P
A-------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
87.72
13%
-141
- C3 -
2Z73
5
OPSD_TODPA
A:
[33-334]
-------------------------------------
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
F
D
------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
85.49
15%
-119
- C3 -
1U19
14
OPSD_BOVIN
A:
[41-330]
-------------------------------------------------------
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
---
S
DF
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
84.88
16%
-111
- 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
G
W
S
R
Y
-
I
P
E
G
-------------
M
Q
C
S
C
G
I
DYY
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
QGSDFGP
I
F
---
M
T
I
P
A
F
F
------------
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
-
T
T
L
C
C
G
K
N
P
L
G
D
D
EA
S
T
T
V
S
K
TETSQVAPA-------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
82.33
16%
-118
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[36-323]
-----------------------------------
T
L
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
RT
Q
--
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
81.04
14%
-139
* C3 *
2KS9
1
NK1R_HUMAN
A:
[33-327]
-------------------------------------------------------
V
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
NP
D
------
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
C
P
F
I
S
A
G
D
------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
80.99
17%
-149
- C1 -
4XGC
1
ORC2_DROME
B:
[62-352]
--
E
G
S
I
N
A
I
M
E
E
Y
R
S
Y
F
P
K
---------------
W
--
M
C
----------------
I
L
N
E
G
F
N
I
L
L
Y
G
L
---
G
S
K
H
Q
L
L
Q
S
F
H
R
E
V
L
H
K
Q
T
V
L
V
V
N
G
F
F
P
S
L
T
I
K
D
M
L
D
S
-
I
T
S
D
I
L
D
A
G
-
I
SPAN
P
H
E
A
V
D
----
M
I
E
-
E
E
F
A
L
I
P
E
T
H
L
F
L
I
V
H
N
--
L
D
----------------
G
A
M
---
L
R
N
V
K
A
Q
A
I
L
S
R
L
A
R
I
P
N
-
I
H
L
L
A
S
I
------------
D
H
I
N
-------
T
P
L
L
W
D
Q
G
K
L
C
S
F
N
--------------------
F
-
S
W
W
D
C
T
T
M
L
P
Y
T
N
E
T
A
F
E
N
S
L
---------
L
V
L
A
L
S
S
M
R
-----------
S
--------------------
V
F
S
S
L
T
T
N
S
R
G
I
Y
M
L
--
I
V
K
Y
Q
L
K
-------------
N
K
G
----
N
--
A
------
T
---
G
--
M
P
-------
F
R
---
D
L
Y
S
S
C
R
E
A
FLVSS
D
L
A
L
R
A
Q
L
T
E
F
L
D
H
K
L
V
K
S
K
R
S
S
E
Q
L
T
I
P
-
I
D
G
A
L
L
Q
Q
F
L
E
E
Q
E-----------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
80.44
17%
-124
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
SF
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
KSL
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
D
T
T
S
D
E
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
D
G
-----------
D
--------------------
P
D
N
G
V
N
P
G
T
D
F
K
D
I
V
CP
L
C
G
V
G
K
D
--------
Q
F
E
E
V
E
--------------------
E
--
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
LAGDTFRRR-------------------------------------------------------------------------------------------------------------------------
45
Fugue
78.31
10%
-129
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
----------------------------------
D
E
V
W
V
----------------
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
-
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
-
M
----
K
M
W
T
F
G
N
F
W
C
E
F
W
-
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
-----
F
K
Y
Q
S
L
---
L
T
K
N
K
A
R
V
I
I
L
M
V
W
I
V
S
G
-
L
T
S
F
L
P
I
---------
Q
----
M
H
W
Y
R
A
T
H
Q
E
A
I
N
C
Y
A
E
E
T
---
C
C
-----
D
--------
F
F
-
T
N
Q
-
A
Y
A
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
V
Y
S
R
V
--
F
Q
E
A
K
R
Q
L
N
I
F
E
-----------
M
--------------------
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
T
--
E
G
Y
Y
T
I
G
--------
I
G
H
L
L
T
K
S
----
P
--
S
------
L
---
N
--
A
A
-------
K
S
---
E
L
D
K
A
I
G
------------
R
---
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
-
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYKFCL
K
E
H
K
A
L
K
T
L
G
I
I
M
G
T
F
T
L
C
W
L
P
F
F
I
V
N
I
V
H
V
I
QDNLIR
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
PLIYCRS
P
D
F
R
I
A
F
Q
E
L
L
CL
24
HHSearch
71.81
20%
-155
- C3 -
3EML
8
ENLYS_BPT4
A:
[22-222]
-------------------------------------------------------
S
V
Y
I
T
V
E
L
A
I
A
V
L
A
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
-
V
S
L
A
A
A
D
I
A
V
G
V
L
A
-
I
P
F
A
I
T
I
S
T
-------
G
F
C
A
A
C
H
G
C
L
F
I
-
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
-----
L
R
Y
N
G
L
---
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
-
A
I
G
L
T
P
M
---------
L
G
W
N
N
C
G
Q
-------
S
Q
G
C
G
E
G
Q
---
V
A
C
-----
L
--------
F
E
D
V
V
P
M
N
Y
M
V
Y
F
N
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
--
I
F
L
A
A
R
R
Q
L
N
I
F
-----------
E
--------------------
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
--
T
E
G
Y
Y
T
I
--------
G
I
G
H
L
L
T
K
----
S
--
P
------
S
---
L
--
N
A
-------
A
K
---
S
E
L
D
K
A
I
------------
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
-
V
R
G
I
L
R
N
A
K
L
K
P
V
------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
69.74
23%
-143
- C3 -
4UHR
1
AA2AR_HUMAN
A:
[14-174]
--------------------------------------------------------------
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
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
GWNNCGQPK
E
G
K
A
---
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
69.43
23%
-149
- C3 -
2YDV
6
?
A:
[14-174]
--------------------------------------------------------------
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
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
GWNNCGQPK
E
G
K
A
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
69.05
23%
-145
- C3 -
2YDO
3
?
A:
[14-174]
--------------------------------------------------------------
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
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
GWNNCGQPK
E
G
K
A
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
68.95
23%
-149
- C3 -
4UG2
3
?
A:
[14-174]
--------------------------------------------------------------
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
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
GWNNCGQPK
E
G
K
A
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
67.50
16%
-137
- C3 -
3UON
2
ACM2_HUMAN (first)
A:
[24-215]
-------------------------------------------------------
V
F
I
V
L
V
A
G
S
L
S
L
V
T
I
I
G
N
I
L
V
M
V
S
I
K
V
N
R
H
L
Q
T
V
N
N
Y
F
L
-
F
S
L
A
C
A
D
L
I
I
G
V
F
S
-
M
N
L
Y
T
L
Y
T
V
-
I
----
G
Y
W
P
L
G
P
V
V
C
D
L
W
-
L
A
L
D
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
-----
L
T
Y
P
V
K
---
R
T
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
-
I
L
W
A
P
A
I
---------
L
F
W
Q
F
I
V
G
-
V
R
-
T
V
E
D
G
E
C
Y
I
----------------------
Q
F
-
F
S
N
-
A
A
V
T
F
G
T
A
I
A
A
F
Y
L
P
V
I
I
M
T
V
L
Y
W
H
--
I
S
R
A
S
K
S
R
I
N
I
F
-----------
E
--------------------
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
--
T
E
G
Y
Y
T
I
--------
G
I
G
H
L
L
T
K
----
S
--
P
------
S
---
L
--
N
A
-------
A
K
---
S
E
L
D
K
A
I
------------
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
-
V
R
G
I
L
R
N
A
K
L
K
P
V
------------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
66.46
12%
-142
- C2 -
2VPZ
-
?
C:
[2-251]
--
A
E
F
Y
G
L
P
N
----------------------------
A
----------------
Q
E
F
W
H
W
T
N
A
L
H
F
V
L
V
G
L
A
G
G
V
A
L
L
A
A
L
L
H
L
K
G
D
A
-----------
E
A
R
R
Y
T
L
Y
A
-
L
M
L
I
A
L
D
L
F
-
I
----
L
W
A
E
S
P
A
R
F
R
F
T
H
-
I
W
L
F
L
S
F
H
P
T
S
P
I
W
W
G
A
W
G
L
G
L
G
F
L
T
G
G
L
-----
L
Y
L
G
K
G
---
S
Q
R
A
L
--
A
W
A
L
L
V
F
S
L
V
A
-
L
S
Y
P
G
L
A
---------
L
A
V
N
L
N
R
-------------------------------------------
P
L
W
N
G
L
M
A
G
L
F
P
L
T
A
L
V
L
A
L
G
L
A
A
L
--
L
K
S
P
W
A
L
----
F
-----------
P
--------------------
L
R
V
L
A
G
A
S
L
L
L
A
L
L
Y
--
P
L
T
L
P
P
E
--------
A
R
G
H
L
L
E
E
----
A
--
G
------
F
---
W
--
Y
G
-------
L
F
---
L
L
L
G
L
G
T
------------
F
W
Q
E
R
L
A
P
W
A
G
L
L
A
A
A
G
L
R
A
L
L
V
L
A
G
Q
W
Q
G
L
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
66.01
18%
-130
- C3 -
3RZE
2
ENLYS_BPT4 (first)
A:
[9-201]
-------------------------------------------------------
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
R
N
A
K
L
K
P
V
------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
65.35
14%
-139
- C3 -
2RH1
6
ADRB2_HUMAN (first)
A:
[41-236]
-------------------------------------------------------
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
-
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
-
M
----
K
M
W
T
F
G
N
F
W
C
E
F
W
-
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
-----
F
K
Y
Q
S
L
---
L
T
K
N
K
A
R
V
I
I
L
M
V
W
I
V
S
G
-
L
T
S
F
L
P
I
---------
Q
M
H
W
Y
R
A
T
H
----
Q
E
A
I
N
C
Y
A
----
E
E
T
C
-----
C
--------
D
F
-
F
T
N
-
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
V
Y
S
R
--
V
F
Q
E
A
K
R
Q
L
N
I
F
-----------
E
--------------------
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
--
T
E
G
Y
Y
T
I
--------
G
I
G
H
L
L
T
K
----
S
--
P
------
S
---
L
--
N
A
-------
A
K
---
S
E
L
D
K
A
I
------------
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
-
V
R
G
I
L
R
N
A
K
L
K
P
V
------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
65.11
17%
-139
- C3 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-227]
---------------------------------------------------------
Y
A
L
S
Y
C
A
L
I
L
A
I
V
F
G
N
G
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
L
V
-
V
S
L
A
V
A
D
L
L
V
A
T
L
V
-
M
P
W
V
V
Y
L
E
V
T
G
----
G
V
W
N
F
S
R
I
C
C
D
V
F
-
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
-----
V
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
V
W
V
L
A
F
-
A
V
S
C
P
L
L
---------
F
G
F
N
T
---
T
G
----
D
P
T
V
C
---------------
S
--------
I
S
-
N
---
P
D
F
V
I
Y
S
S
V
V
S
F
Y
L
P
F
G
V
T
V
L
V
Y
A
R
--
I
Y
V
V
L
K
Q
R
R
R
K
N
-----------
I
--------------------
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
--
K
D
T
E
G
Y
Y
--------
T
I
G
I
G
H
L
L
----
T
--
K
------
S
---
P
--
S
L
-------
N
A
---
A
K
S
E
L
D
K
------------
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
-
A
A
V
R
G
I
L
R
N
A
K
L
K
------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
63.23
15%
-125
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-240]
-------------------------------------
N
K
----------------
I
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
-
L
H
L
S
V
A
D
L
L
F
V
-
I
T
-
L
P
F
W
A
V
D
A
V
------
A
N
W
Y
F
G
N
F
L
C
K
A
V
-
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
-----
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
-
L
L
T
I
P
D
F
---------
I
F
A
N
V
S
E
-----
A
D
D
R
Y
I
C
D
R
F
Y
P
-------------------
N
D
-
L
W
V
-
V
V
F
Q
F
Q
H
I
M
V
G
L
I
L
P
G
I
V
I
L
S
C
Y
C
I
--
I
I
S
K
L
S
H
S
G
S
N
I
-----------
F
--------------------
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
--
D
T
E
G
Y
Y
T
--------
I
G
I
G
H
L
L
T
----
K
--
S
------
P
---
S
--
L
N
-------
A
A
---
K
S
E
L
D
K
A
------------
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
-
A
V
R
G
I
L
R
N
A
K
L
K
P
------------------------------------------------------------------------------------------------------------------------------------------------------------