@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 : OR6Q1_HUMAN: (2016-01-14 )
MQPYTKNWTQVTEFVMMGFAGIHEAHLLFFILFLTMYLFTLVENLAIILVVGLDHRLRRPMYFFLTHLSCLEIWYTSVTVPKMLAGFIGVDGGKNISYADCLSQLFIFTFLGATECFLLAAMAYDRYVAICMPLHYGAFVSWGTCIRLAAACWLVGFLTPILPIYLLSQLTFYGPNVIDHFSCDASPLLALSCSDVTWKETVDFLVSLAVLLASSMVIAVSYGNIVWTLLHIRSAAERWKAFSTCAAHLTVVSLFYGTLFFMYVQTKVTSSINFNKVVSVFYSVVTPMLNPLIYSLRNKEVKGALGRVFSLNFWKGQ
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)
---------------MQPYT
K
N
W
-
T
Q
V
T
----------------
E
-----------
F
-------
V
M
M
G
F
-
A
G
I
H
E
A
H
L
L
F
F
I
L
F
L
---------
T
-----------
M
Y
L
F
------
T
L
V
EN
L
A
I
I
L
---
V
VGL
D
H
R
LRR
P
M
Y
F
F
L
----------
T
H
L
S
C
L
E
I
W
-
Y
TSV
T
-
V
P
---
K
M
L
A
G
F
IGVDGGK-----NI
S
Y
A
D
C
L
S
Q
---------
L
F
I
--
F
T
F
---
L
G
A
T
E
C
F
------
L
L
-
A
A
M
A
YD
R
Y
------
V
A
-----
I
C
---
M
PLHYGAF-----V
S
W
G
T
C
I
R
L
-----
A
A
A
C
W
---------
L
V
G
---------
F
---
L
--
T
---
P
I
L
----------------------
P
I
Y
L
L
S
Q
L
TFYGP
N
---
V
I
DHF---------SCDAS
P
L
L
-------
A
L
SC--------------SDV---
T
W
K
E
T
V
D
F
L
V
S
L
A
V
L
L
AS
S
M
V
I
A
V
S-------------YG
N
I
V
W
T
L
-----------
L
H
-
I
R
--
S
---
A
-----------
A
--------------------
E
------
R
W
K
A
F
--------
S
T
C
A
A
H
L
T
V
V
S
L
F
Y
G
T
L
F
F
-------------
M
Y
V
-
Q
-------
T
K
V------T--S---S---I
N
F
---
N
K
V
V
S
V
F
Y
-----
S
V
V
T
-----
P
M
L
N
P
L
I
Y
S
----
L
RN
K
-----
E
V
K
G
ALG
R
V
--
F
S
L
NFWKGQ----------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
88.39
15%
-135
- C5 -
2KS9
1
NK1R_HUMAN
A:
[33-324]
-----------------------------------------------------------------------------
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
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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
------
N
--
P
---
D
LYL
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
84.58
15%
-106
- C5 -
1F88
8
OPSD_BOVIN
A:
[1-348]
---------------
M
N
G
T
E
G
P
N
-
F
Y
V
P
----------------
F
SNKTGVVRSPF
E
-------
A
P
Q
Y
Y
-
L
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
---------
L
-----------
L
I
M
L
------
G
F
P
I
N
F
L
T
L
Y
---
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
----------
L
N
L
A
V
A
D
L
F
-
M
V
F
G
---
G
---
F
T
T
T
L
Y
T
S
L
H
G
Y
F
-----
V
F
G
P
T
G
C
N
L
E
---------
G
F
F
--
A
T
L
---
G
G
E
I
A
L
W
------
S
L
-
V
V
L
A
I
E
R
Y
------
V
V
-----
V
C
---
K
P
M
S
N
F
R
F
------
G
E
N
H
A
I
M
G
-----
V
A
F
T
W
---------
V
M
A
---------
L
---
A
--
C
---
A
A
P
----------------------
P
L
V
G
W
S
R
Y
I
P
E
G
M
Q
C
S
C
G
I
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
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
TVSKTETS
Q
V
A
P
A---------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
84.40
17%
-121
- C5 -
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
-------
P
Q
Y
Y
L
-
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
---------------------
L
I
M
L
------
G
F
P
I
N
F
L
T
L
Y
---
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
----------
L
N
L
A
V
A
D
L
F
-
M
V
F
G
G
-
F
T
---
T
T
L
Y
T
S
L
H
--
G
Y
F
-----
V
F
G
P
T
G
C
N
L
E
---------
G
F
F
--
A
T
L
---
G
G
E
I
A
L
W
------
S
L
-
V
V
L
A
I
E
R
Y
------
V
V
-----
V
C
---
K
P
M
S
N
F
R
F
------
G
E
N
H
A
I
M
G
-----
V
A
F
T
W
---------
V
M
A
---------
L
---
A
--
C
---
A
A
P
----------------------
P
L
V
G
W
S
R
Y
I
P
E
G
M
-------
Q
C
---------
S
C
G
--
I
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
KEAAAQQQESA
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
DDEA
S
T
T
V
S
K
TETSQVAPA---------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
83.26
16%
-143
- C5 -
2Z73
5
OPSD_TODPA
A:
[32-333]
--------------------------------------------------------------------------
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
81.91
15%
-134
- C5 -
1U19
14
OPSD_BOVIN
A:
[40-328]
----------------------------------------------------------------------------
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
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
QG
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
81.27
15%
-142
- 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
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
45
Fugue
74.40
21%
-101
- C1 -
4OWT
-
INT3_HUMAN
A:
[1-466]
GGRL
L
L
S
T
SLDAKD
E
L
E
E
R
L
E
R
C
M
S
I
V
T
S
M
T
AGVS
E
R
E
A
N
D
A
L
N
A
-----------
Y
-------
V
C
K
G
L
-
P
Q
H
E
E
I
C
L
G
L
F
T
L
I
L
---------
T
E
PAQ
A
Q
K
C
Y
R
D
L
A
L
V
SRDGM
N
I
V
L
N
K
I
N
Q
I
L
M
EK
Y
L
K
L
Q
D
T
C
R
T
Q
L
V
W
L
V
----------
R
E
L
V
K
S
G
V
L
G
A
D
G
V
C
M
T
F
M
--
K
Q
I
A
G
--
G
D
V
T
A
K
-----
N
I
W
L
A
E
S
V
L
D
---------
I
L
T
E
Q
R
E
W
---
V
L
K
S
S
I
L
------
I
A
M
A
V
Y
T
Y
L
R
L
------
I
V
-----
D
H
HGT
A
Q
L
Q
A
L
R
Q
-----
K
E
V
D
F
C
I
S
L
-----
L
R
E
R
F
M
E
C
L
MIG
R
D
L
V
R
---------
L
---
L
--
Q
N
V
A
R
I
P
----------------------
E
F
E
L
L
W
K
D
I
I
H
N
P
Q
---
A
L
S
P
Q
---------
F
T
G
I
L
Q
L
L
Q
S
R
T
S
R
K
F
L
A
C
R
L
T
P
D
M
E
T
K
L
L
F
M
T
S
R
V
RFG
Q
Q
K
R
Y
Q
D
W
F
Q
R
Q
Y
L
S
T
P
D
S
Q
S
L
R
C
D
-------------
L
I
R
Y
I
C
G
V
-----------
V
H
-
P
S
--
N
---
E
-----------
V
--------------------
L
S
SDILP
R
W
A
I
I
G
W
L
L
T
T
CT
S
N
V
A
A
S
N
A
K
L
A
L
F
Y
D
W
L
F
F
SPDKDSIMNI
E
P
A
I
L
V
M
H
H
S
MKPH
P
A
I
T
------
A
--
T
---
L
---
L
D
F
M
--
C
R
I
I
P
N
F
Y
-----
P
P
L
E
-----
G
H
V
R
Q
G
V
F
S
S
L
N
H
I
V
E
K
-----
R
V
L
A
H
L
A
P
L
--
F
D
N
P
K
L
D
K
E
L
R
A
M
L
R
E
K
FPEFCS--------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
73.88
15%
-118
- C5 -
2LNL
-
CXCR1_HUMAN
A:
[37-323]
--------------------------------------------------------------------------
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
RTQVI
Q
E-
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
73.01
19%
-148
* 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
----------------------------------------------------------------------------------------------------------------------------------------------------------
51
Fugue
71.65
18%
-166
- C4 -
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
I
GDSSETYPS
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
LKVDN
M
L
D
F
V
E
Q
L
R
R
Q
AATRVED
Q
G
F
L
--
I
A
V
---
D
N
A
E
R
L
R
DMDA
N
V
L
P
-
V
L
L
R
L
Q
E
L
TNLN
L
C
V
I
-----
L
L
---
S
Q
L
P
F
E
K
F
YNK
T
G
L
S
E
I
V
C
L
H
L
A
Q
YN
K
A
E
T
Q
R
---------
I
L
G
SD
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
YKACR
D
V
P
E
L
Q
L
T
-------
A
R
K
C
--------------
L
S
T
---
Y
L
E
P
V
L
D
G
T
S
R
L
W
R
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
A
A
-----------
K
--------------------
Q
------
D
K
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
NL
L
S
F
V
S
-----
G
E
Q
N
I
M
E
G
S
----
A
R
L
Q
C
T
I
G
L
E
F
V
L
Q
I
G
K
V
V
G
F
N
V
R
Q
Y
L
C
D
----------------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
70.54
15%
-160
- 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
----------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
69.64
18%
-164
- C5 -
3EML
8
ENLYS_BPT4
A:
[22-221]
-----------------------------------------------------------------------------
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
DV-
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
67.96
20%
-149
- 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
----------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
67.80
10%
-144
* C4 *
1H3F
3
SYY_THET2
A:
[5-432]
-GHT
P
E
E
A
L
A
L
L
K
RG
A
E
E
I
V
P
E
E
-
E
L
L
A
----------------
K
-----------
L
K
EG
R
P
L
T
V
K
L
G
A
D
P
T
R
P
D
L
H
L
G
H
A
V
V
L
R
---------
K
-----------
M
R
Q
F
------
Q
E
L
G
H
K
V
V
L
I
---
I
G
D
F
T
R
E
N
A
K
T
Y
V
A
Q
A
G
K
I
L
R
Q
E
PHL
F
E
L
R
Y
N
S
E
W
-
L
E
G
L
T
-
F
K
---
E
V
V
R
L
T
S
L
M
T
V
A
Q
-----
M
L
E
R
E
D
F
K
K
R
---------
Y
E
A
--
G
I
P
---
I
S
L
H
E
L
L
------
Y
P
-
F
A
Q
A
Y
D
S
V
------
A
I
RAD
V
E
M
G
---
G
T
D
Q
R
F
N
L
-----
L
V
G
R
E
V
Q
R
A
-----
Y
G
Q
S
P
---------
Q
V
C
---------
F
---
L
--
M
---
P
L
L
V
G
LDGREKMSKSLDNYIGLTEP
P
E
A
M
F
K
K
L
M
R
V
P
D
P
---
L
L
P
S
Y
---------
F
R
L
L
T
D
L
E
-------
E
E
E
I
--------------
E
A
L
---
L
K
A
G
P
V
P
A
H
R
V
L
A
R
L
L
T
A
A
Y
A
L
P
Q
I
-------------
P
P
R
I
D
R
A
F
-----------
Y
E
-
S
L
GY
A
---
W
-----------
E
--------------------
A
------
F
G
R
D
K
--------
E
A
G
P
E
E
V
R
R
A
E
A
R
Y
D
E
V
A
K
-------------
E
E
I
-
P
-------
E
V
T
------
I
--
P
---
A
---
S
E
L
---
K
E
G
R
I
W
V
A
-----
R
L
F
T
L
A
GLT
P
S
N
A
E
A
R
R
L
----
I
Q
N
R
-----
G
L
R
L
D
G
E
V
L
--
T
D
P
M
L
Q
V
D
L
S
R
P
R
I
L
Q
R
G
KD
R
F
V
R
V
R
L
S
D--------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
66.99
22%
-141
- C5 -
4LDE
3
A:
[200-355]
------------------------------------------------------------------------------------------------------------------------
N
V
L
V
I
T
---
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
----------
T
S
L
A
C
A
D
L
V
-
M
G
L
A
V
-
V
P
---
F
G
A
A
H
I
L
T
K
T
W
T
F
-----
G
N
F
W
C
E
F
W
T
S
---------
I
D
V
--
L
C
V
---
T
A
S
I
E
T
--------
L
-
C
V
I
A
V
D
R
Y
------
F
A
-----
I
T
---
S
P
F
K
Y
Q
S
L
-----
L
T
K
N
K
A
R
V
I
-----
I
L
M
V
W
---------
I
V
S
---------
G
---
L
--
T
---
S
F
L
----------------------
P
I
----
Q
M
H
W
Y
R
A
T
---
H
Q
E
A
I
---------
N
C
Y
A
E
E
-----------
T
C
-------------------------
C
D
F
F
T
N
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
V
-------------
P
L
V
I
M
V
F
V
-----------
Y
S
-
R
V
--
F
---
Q
-----------
E
--------------------
A
------
K
R
Q
L
Q
--------
K
F
A
L
K
E
H
K
A
L
K
T
L
G
I
I
M
G
T
-------------
F
T
L
-
C
-------
W
L
P
------
F
--
F
---
I
---
V
N
I
---
V
H
V
I
Q
D
N
L
-----
I
R
K
E
-----
V
Y
I
L
L
N
W
I
G
----
Y
V
N
S
-----
G
F
N
P
L
I
Y
C
R
--
S
P
D
F
R
I
A
F
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
66.48
22%
-136
- C5 -
4LDO
3
A:
[200-355]
------------------------------------------------------------------------------------------------------------------------
N
V
L
V
I
T
---
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
----------
T
S
L
A
C
A
D
L
V
-
M
G
L
A
V
-
V
P
---
F
G
A
A
H
I
L
T
K
T
W
T
F
-----
G
N
F
W
C
E
F
W
T
S
---------
I
D
V
--
L
C
V
---
T
A
S
I
E
T
--------
L
-
C
V
I
A
V
D
R
Y
------
F
A
-----
I
T
---
S
P
F
K
Y
Q
S
L
-----
L
T
K
N
K
A
R
V
I
-----
I
L
M
V
W
---------
I
V
S
---------
G
---
L
--
T
---
S
F
L
----------------------
P
I
----
Q
M
H
W
Y
R
A
T
---
H
Q
E
A
I
---------
N
C
Y
A
E
E
-----------
T
C
-------------------------
C
D
F
F
T
N
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
V
-------------
P
L
V
I
M
V
F
V
-----------
Y
S
-
R
V
--
F
---
Q
-----------
E
--------------------
A
------
K
R
Q
L
Q
--------
K
F
A
L
K
E
H
K
A
L
K
T
L
G
I
I
M
G
T
-------------
F
T
L
-
C
-------
W
L
P
------
F
--
F
---
I
---
V
N
I
---
V
H
V
I
Q
D
N
L
-----
I
R
K
E
-----
V
Y
I
L
L
N
W
I
G
----
Y
V
N
S
-----
G
F
N
P
L
I
Y
C
R
--
S
P
D
F
R
I
A
F
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
66.29
22%
-140
- C5 -
4LDL
3
ADRB2_HUMAN
A:
[200-355]
------------------------------------------------------------------------------------------------------------------------
N
V
L
V
I
T
---
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
----------
T
S
L
A
C
A
D
L
V
-
M
G
L
A
V
-
V
P
---
F
G
A
A
H
I
L
T
K
T
W
T
F
-----
G
N
F
W
C
E
F
W
T
S
---------
I
D
V
--
L
C
V
---
T
A
S
I
E
T
--------
L
-
C
V
I
A
V
D
R
Y
------
F
A
-----
I
T
---
S
P
F
K
Y
Q
S
L
-----
L
T
K
N
K
A
R
V
I
-----
I
L
M
V
W
---------
I
V
S
---------
G
---
L
--
T
---
S
F
L
----------------------
P
I
----
Q
M
H
W
Y
R
A
T
---
H
Q
E
A
I
---------
N
C
Y
A
E
E
-----------
T
C
-------------------------
C
D
F
F
T
N
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
V
-------------
P
L
V
I
M
V
F
V
-----------
Y
S
-
R
V
--
F
---
Q
-----------
E
--------------------
A
------
K
R
Q
L
Q
--------
K
F
A
L
K
E
H
K
A
L
K
T
L
G
I
I
M
G
T
-------------
F
T
L
-
C
-------
W
L
P
------
F
--
F
---
I
---
V
N
I
---
V
H
V
I
Q
D
N
L
-----
I
R
K
E
-----
V
Y
I
L
L
N
W
I
G
----
Y
V
N
S
-----
G
F
N
P
L
I
Y
C
R
--
S
P
D
F
R
I
A
F
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
65.96
28%
-189
- C5 -
3VG9
4
?
A:
[14-141]
------------------------------------------------------------------------------------
L
---------
A
-----------
I
A
V
L
------
A
I
L
G
N
V
L
V
C
W
---
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
----------
V
S
L
A
A
A
D
I
A
-
V
G
V
L
A
-
I
P
F
A
I
T
I
S
T
G
F
C
---------------
A
A
C
H
G
C
---------
L
F
I
--
A
C
F
V
L
V
L
T
Q
S
S
I
F
------
S
L
-
L
A
I
A
I
D
R
Y
------
I
A
-----
I
R
---
I
P
L
R
Y
N
G
L
-----
V
T
G
T
R
A
K
G
I
-----
I
A
I
C
W
---------
V
L
S
---------
F
A
I
G
L
--
T
---
P
M
L
----------------------
G
W
N
N
C
G
Q
S
Q
G
C
G
E
G
---
Q
V
A
C
L
---------
F
E
D
V
V
P
M
N
-------
Y
M
V
Y
--------------
F
N
F
---
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
-------------
L
K
Q
M
E
S
Q
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
65.61
27%
-191
- C5 -
3EML
8
ENLYS_BPT4
A:
[23-156]
------------------------------------------------------------------------------
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
--
Y
D
S
L
D
A
V
R
R
----------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
65.36
27%
-187
- C5 -
4EIY
19
AA2AR_HUMAN (first)
A:
[33-166]
------------------------------------------------------------------------------
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
P
K
E
G
K
N
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
D
-
L
E
--
D
---
N
-----------
W
--------------------
E
------
T
L
N
D
N
--------
L
K
V
I
E
K
A
D
N
A
A
Q
V
K
D
A
L
T
K
-------------
M
R
A
-
A
-------
A
L
D
------
A
--
Q
---
K
---
M
K
D
---
F
R
H
G
F
D
I
L
-----
V
G
Q
I
-----
D
D
A
L
K
L
A
N
E
----
G
K
V
K
-----
E
A
Q
A
A
A
E
Q
L
--
K
T
T
R
N
A
Y
I
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------