@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 : C3AR_HUMAN: (2016-01-09 )
MASFSAETNSTDLLSQPWNEPPVILSMVILSLTFLLGLPGNGLVLWVAGLKMQRTVNTIWFLHLTLADLLCCLSLPFSLAHLALQGQWPYGRFLCKLIPSIIVLNMFASVFLLTAISLDRCLVVFKPIWCQNHRNVGMACSICGCIWVVAFVMCIPVFVYREIFTTDNHNRCGYKFGLSSSLDYPDFYGDPLENRSLENIVQPPGEMNDRLDPSSFQTNDHPWTVPTVFQPQTFQRPSADSLPRGSARLTSQNLYSNVFKPADVVSPKIPSGFPIEDHETSPLDNSDAFLSTHLKLFPSASSNSFYESELPQGFQDYYNLGQFTDDDQVPTPLVAITITRLVVGFLLPSVIMIACYSFIVFRMQRGRFAKSQSKTFRVAVVVVAVFLVCWTPYHIFGVLSLLTDPETPLGKTLMSWDHVCIALASANSCFNPFLYALLGKDFRKKARQSIQGILEAAFSEELTRSTHCPSNNVISERNSTTV
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.......340.......350.......360...----...--------------------.370.......380.......390.......400.-----.....------.410.......420.......430.......440.......450.......460.......470.......480
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
------MASFSAE------TNSTDLLSQPWNEP------
P
V
I
L
--------
S
M
V
I
L
S
L
T
F
L
L--GLPGN
G
L
V
L
W
-V-AG-L-
K
M
Q
-
R
-
T
V
N
T
I
W
F
L
H
L
T
L
A
D
L
L
C
-
C
L
-S--L
P
F
S
L
A
H
L
A
LQGQW
P
Y
G
R
F
L
C
K
L
I
P
S
I
I
V
L
N
M
F
A
S
V
F
L
L
T
A
ISLD
R
C
L
V
V
F
KP
I
W
CQNHRNV
G
M
A
C
S
I
C
G
C
I
W
V
V
-
A
F
V
M
C
I
P
V
F
V
--------
Y
R
E
I
FT-T-DNHN
R
C
G
Y
----
K
FGLSSSLDYPDFYGDPLENR
S
L
E
N
IVQPPGEMNDRLDPSSFQTNDHPWTV
P
T
VFQPQTFQRPSADSLPRG-SARL
T
S
Q
N
L
Y
S
N
VFK
P
A
--DVVSPKIPSGFPIEDHETSPLDN
S
D
A
F
L
S
T
H
L
---------------KLFPSASSNSF
Y
E
S
E
L
P
Q
G
F
Q
D
Y
Y
NLGQFTDDDQ-VPTP
L
V
A
I
T
I
T
R
L
V
V
G
F
L
L
P
S
V
I
M
I
A
C
Y
S
F
I
V
F
R
M
QR----GRF--------------------AKSQSK
T
F
R
V
A
V
V
V
V
A
V
F
L
V
CW
T
P
Y
H
I
F
G
V
L
S
L
LT-----DPETP------
L
G
K
T
L
M
S
W
D
H
V
C
I
A
LA
S
A
N
S
C
F
N
P
F
L
Y
A
L
L
G
K
D
F
R
K
K
A
R
Q
S
I
Q
G
I
L
E
A
A
F
S
E
E
L
T
RSTHCPSNNVISERNSTTV
85
Fugue
85.96
22%
-129
* C8 *
1F88
8
OPSD_BOVIN
A:
[1-348]
------
M
N
G
T
E
G
P
NFYVPF
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
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
AAAS
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
S
K
T
E
T
S
Q
V
A
P
A
-----------
83
Fugue
84.38
19%
-92
- C8 -
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
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
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
-
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
-
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
T
G
T
W
D
A
Y
G
----
S
-
K
--------------------
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
F
H
C
C
L
N
P
I
L
Y
A
F
L
G
A
K
F
K
T
S
A
Q
H
A
L
T
---------------
S
G
R
P
L
E
V
L
F
Q
------
82
Fugue
83.26
22%
-112
- C8 -
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
-------------------
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
C
P
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
TPAM
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
-------------------------------------
86
Fugue
82.00
17%
-84
- C8 -
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
HWYRATH
Q
E
A
I
N
C
-
Y
-
A
E
E
T
C
C
D
F
FTN
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
NG
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
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
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
T
G
T
W
D
A
----
Y
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
------------------------------
67
HHSearch
81.96
20%
-150
- C7 -
2Z73
5
OPSD_TODPA
A:
[30-335]
------------------------------
P
D
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
-----
P
L
E
----------
W
V
T
P
Y
A
A
Q
L
P
V
M
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
F
P
W
V
L
T
C
C
Q
F
D
D
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
----
71
HHSearch
77.45
21%
-147
- C8 -
2KS9
1
NK1R_HUMAN
A:
[32-327]
----------------------------------------
I
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
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
-----
P
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
Y
E
G
L
E
M
K
S
T
R
Y
L
Q
T
Q
G
S
V
Y
K
V
S
84
Fugue
74.52
20%
-92
- C8 -
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
QYYLAE
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
E
S
----
A
T
T
--------------------
Q
K
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
-
A
F
Y
I
F
T
-----
H
Q
G
S
D
------
F
G
P
I
F
M
T
I
P
A
F
F
A
K
T
S
A
---
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
-----
74
HHSearch
73.65
22%
-126
- C8 -
1U19
14
OPSD_BOVIN
A:
[38-328]
--------------------------------
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
QQQESA
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
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
-----
89
Fugue
73.20
17%
-73
- C2 -
4KPP
4
?
A:
[2-396]
-----D
F
T
K
E
K
F
Q
------
L
L
A
I
S
S
L
T
L
P
W
L
I
S
------
L
A
F
N
Y
H
H
P
----
A
L
T
Q
T
L
L
S
G
L
A
--
V
V
S
A
S
F
L
I
S
W
-
A
-
A
E
-
T
-
A
E
M
-
D
-
V
P
R
S
F
S
L
A
I
V
A
L
L
A
V
L
P
-
E
Y
-
A
--
V
D
G
Y
F
A
W
K
A
G
S
V
G
G
E
Y
V
H
Y
A
--------
T
A
N
M
T
G
A
N
R
L
L
I
G
I
--
G
W
S
L
V
A
F
I
A
F
R
T
L
K
S
K
E
V
E
L
D
D
G
------------------
I
--------
R
L
E
I
F
F
-
L
-
F
L
A
T
L
Y
A
F
----
T
L
P
L
K
G
H
I
S
-------
P
F
D
A
L
V
F
V
S
L
Y
A
I
Y
I
Y
L
S
T
K
A
E
R
E
E
V
E
V
G
G
V
P
A
Y
L
C
S
L
-------------------
K
T
E
T
R
R
L
S
V
V
V
L
F
L
F
A
--
G
F
T
I
L
M
S
V
E
A
F
S
E
G
L
L
E
T
A
R
I
A
G
I
D
E
F
L
A
V
Q
W
-----------------------
I
A
P
L
A
S
E
S
P
E
L
I
V
A
I
Y
F
V
R
R
F
----
R
-
V
S
A
S
M
N
A
L
I
S
S
K
V
N
Q
W
T
L
L
I
G
T
I
A
I
I
-
Y
S
I
S
A
F
K
L
Q
S
----
L
P
L
--------------------
D
A
R
Q
S
E
E
V
L
L
T
A
A
Q
S
L
F
A
V
A
I
L
--------
L
D
L
-----------------------------
K
I
S
W
K
E
A
S
A
L
F
L
L
F
I
V
Q
L
L
F
P
G
V
E
V
R
Y
I
I
S
A
I
Y
I
I
L
S
L
P
I
L
F
A
K
R
K
E
I
V
E
S
F
R
T
V
K
R
L
I
S
L
E
-
75
HHSearch
72.00
26%
-139
* C7 *
2LNL
-
CXCR1_HUMAN
A:
[37-322]
--------------------------------
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
-----
R
T
Q
V
I
QE
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
----------------------------
14
PsiBlast_PDB
66.11
31%
-150
- C10 -
5C1M
4
?
A:
[18-180]
-----------------------------------------
I
T
--------
I
M
A
L
Y
S
I
V
C
V
V
--
G
L
F
G
N
F
L
V
M
Y
-
V
I
V
R
-
Y
-
T
K
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
-
T
--
L
P
F
Q
S
V
N
Y
-
L
M
G
T
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
R
T
P
R
N
A
K
I
V
N
V
C
N
W
I
L
-
S
S
A
I
G
L
P
V
-------------
M
F
M
-
A
-
T
T
K
Y
R
Q
G
-----
S
I
D
C
T
L
T
F
S
H
P
T
W
Y
W
E
N
L
L
K
I
C
V
F
I
F
A
F
I
M
P
V
L
I
I
T
V
C
Y
G
L
M
I
L
R
L
K
S
V
R
M
L
S
G
S
K
E
K
D
R
N
L
R
R
I
T
R
M
V
L
V
-
V
V
A
V
F
I
V
C
W
T
P
I
H
I
Y
V
I
--
I
K
A
L
I
T
I
P
E
T
T
F
Q
T
V
S
W
H
F
C
I
A
L
G
Y
T
N
S
C
L
N
P
---------------
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
65.83
35%
-158
- C10 -
4RWA
1
OPRD_HUMAN
B:
[135-275]
-------------------------------------------------------------
V
--
G
L
L
G
N
V
L
V
M
F
G
I
-
V
R
-
Y
-
T
K
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
-
T
--
L
P
F
Q
S
A
K
Y
L
M
E
-
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
-
A
S
G
V
G
V
P
I
M
V
--------
M
A
V
T
R
P
-
R
-
D
G
A
V
V
C
M
L
----
Q
F
P
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
G
S
K
E
K
D
R
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
-
F
V
I
V
W
T
L
V
D
I
D
R
R
D
P
L
V
--
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
---------------
F
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
65.27
35%
-155
- C10 -
4RWD
4
OPRD_HUMAN
B:
[135-275]
-------------------------------------------------------------
V
--
G
L
L
G
N
V
L
V
M
F
G
I
-
V
R
-
Y
-
T
K
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
-
T
--
L
P
F
Q
S
A
K
Y
L
M
E
-
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
-
A
S
G
V
G
V
P
I
M
V
--------
M
A
V
T
R
P
-
R
-
D
G
A
V
V
C
M
L
----
Q
F
P
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
S
V
R
L
L
S
G
S
K
E
K
D
R
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
-
V
C
W
A
P
I
H
I
F
V
I
V
W
T
L
V
D
--
I
D
R
R
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
---------------
L
D
E
N
F
K
R
C
F
R
Q
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
65.02
35%
-157
- C10 -
4RWD
4
C562_ECOLX (first)
A:
[135-275]
-------------------------------------------------------------
V
--
G
L
L
G
N
V
L
V
M
F
G
I
-
V
R
-
Y
-
T
K
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
-
T
--
L
P
F
Q
S
A
K
Y
L
M
E
-
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
-
A
S
G
V
G
V
P
I
M
V
--------
M
A
V
T
R
P
-
R
-
D
G
A
V
V
C
M
L
----
Q
F
P
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
S
V
R
L
L
S
G
S
K
E
K
D
R
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
-
V
C
W
A
P
I
H
I
F
V
I
V
W
T
L
V
D
--
I
D
R
R
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
---------------
L
D
E
N
F
K
R
C
F
R
Q
L
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
64.94
35%
-158
- C10 -
4RWA
2
C562_ECOLX (first)
A:
[135-275]
-------------------------------------------------------------
V
--
G
L
L
G
N
V
L
V
M
F
G
I
-
V
R
-
Y
-
T
K
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
-
T
--
L
P
F
Q
S
A
K
Y
L
M
E
-
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
-
A
S
G
V
G
V
P
I
M
V
--------
M
A
V
T
R
P
-
R
-
D
G
A
V
V
C
M
L
----
Q
F
P
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
G
S
K
E
K
D
R
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
-
V
I
V
W
T
L
V
D
I
D
R
R
D
P
L
V
V
--
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
---------------
R
Q
L
C
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
63.54
35%
-164
- C10 -
4N6H
13
OPRD_HUMAN
A:
[138-278]
-------------------------------------------------------------
V
--
G
L
L
G
N
V
L
V
M
F
G
I
-
V
R
-
Y
-
T
K
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
-
T
S
-
T
--
L
P
F
Q
S
A
K
Y
L
M
E
-
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
-
A
S
G
V
G
V
P
I
M
V
--------
M
A
V
T
R
P
-
R
-
D
G
A
V
V
C
M
L
----
Q
F
P
S
P
S
W
Y
W
D
T
V
T
K
I
C
V
F
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
S
V
R
L
L
S
G
S
K
E
K
D
R
S
L
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
-
V
C
W
A
P
I
H
I
F
V
I
V
W
T
L
V
D
--
I
D
R
R
D
P
L
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
---------------
L
D
E
N
F
K
R
C
F
R
Q
L
C
R
K
P
C
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
62.88
31%
-168
- C10 -
3ZPQ
7
ADRB1_MELGA
A:
[2-150]
---------------------
G
A
E
L
L
S
Q
Q
W
E
A
G
------
M
S
L
L
------------
M
A
L
V
V
L
L
--
I
V
A
G
N
V
L
V
I
A
-
A
-
I
G
-
S
-
T
Q
R
L
Q
-
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
-
V
--
V
P
F
G
-
A
T
L
V
V
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
M
--------
H
W
W
R
D
E
-
D
-
P
Q
A
L
K
C
Y
Q
----
D
P
G
C
C
D
F
V
T
N
R
A
Y
A
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
A
K
E
Q
S
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
-
F
F
L
V
N
I
V
N
V
F
N
R
D
L
V
P
D
--
W
L
F
V
A
F
N
W
L
G
Y
A
N
S
A
M
N
P
I
I
Y
C
R
S
P
D
F
R
K
A
F
K
---------------
R
L
L
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
PsiBlast_CBE
62.80
31%
-171
- C10 -
2Y03
5
ADRB1_MELGA
A:
[3-150]
----------------------
A
E
L
L
S
Q
Q
W
E
A
G
------
M
S
L
L
------------
M
A
L
V
V
L
L
--
I
V
A
G
N
V
L
V
I
A
-
A
-
I
G
-
S
-
T
Q
R
L
Q
-
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
-
V
--
V
P
F
G
-
A
T
L
V
V
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
M
--------
H
W
W
R
D
E
-
D
-
P
Q
A
L
K
C
Y
Q
----
D
P
G
C
C
D
F
V
T
N
R
A
Y
A
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
A
K
E
Q
I
R
S
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
-
L
P
F
F
L
V
N
I
V
N
V
F
N
R
D
L
V
--
P
D
W
L
F
V
A
F
N
W
L
G
Y
A
N
S
A
M
N
P
I
I
Y
C
R
S
P
D
F
R
K
A
---------------
F
K
R
L
L
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
62.34
31%
-171
- C10 -
2Y04
8
ADRB1_MELGA
A:
[3-150]
----------------------
A
E
L
L
S
Q
Q
W
E
A
G
------
M
S
L
L
------------
M
A
L
V
V
L
L
--
I
V
A
G
N
V
L
V
I
A
-
A
-
I
G
-
S
-
T
Q
R
L
Q
-
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
-
V
--
V
P
F
G
-
A
T
L
V
V
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
M
--------
H
W
W
R
D
E
-
D
-
P
Q
A
L
K
C
Y
Q
----
D
P
G
C
C
D
F
V
T
N
R
A
Y
A
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
A
K
E
Q
S
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
-
F
F
L
V
N
I
V
N
V
F
N
R
D
L
V
P
D
--
W
L
F
V
A
F
N
W
L
G
Y
A
N
S
A
M
N
P
I
I
Y
C
R
S
P
D
F
R
K
A
F
K
---------------
R
L
L
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
62.32
31%
-168
- C10 -
2Y00
8
ADRB1_MELGA
A:
[3-150]
----------------------
A
E
L
L
S
Q
Q
W
E
A
G
------
M
S
L
L
------------
M
A
L
V
V
L
L
--
I
V
A
G
N
V
L
V
I
A
-
A
-
I
G
-
S
-
T
Q
R
L
Q
-
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
-
V
--
V
P
F
G
-
A
T
L
V
V
R
G
T
W
L
W
G
S
F
L
C
E
L
W
T
S
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
Q
S
L
M
T
R
A
R
A
K
V
I
I
C
T
V
W
A
I
S
A
L
V
S
F
L
P
I
M
M
--------
H
W
W
R
D
E
-
D
-
P
Q
A
L
K
C
Y
Q
----
D
P
G
C
C
D
F
V
T
N
R
A
Y
A
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
A
K
E
Q
S
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
-
F
F
L
V
N
I
V
N
V
F
N
R
D
L
V
P
D
--
W
L
F
V
A
F
N
W
L
G
Y
A
N
S
A
M
N
P
I
I
Y
C
R
S
P
D
F
R
K
A
F
K
---------------
R
L
L
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------