@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 : OR5P2_HUMAN: (2016-01-13 )
MNSLKDGNHTALTGFILLGLTDDPILRVILFMIILSGNLSIIILIRISSQLHHPMYFFLSHLAFADMAYSSSVTPNMLVNFLVERNTVSYLGCAIQLGSAAFFATVECVLLAAMAYDRFVAICSPLLYSTKMSTQVSVQLLLVVYIAGFLIAVSYTTSFYFLLFCGPNQVNHFFCDFAPLLELSCSDISVSTVVLSFSSGSIIVVTVCVIAVCYIYILITILKMRSTEGHHKAFSTCTSHLTVVTLFYGTITFIYVMPNFSYSTDQNKVVSVLYTVVIPMLNPLIYSLRNKEIKGALKRELVRKILSHDACYFSRTSNNDIT
Atome Classification :
(20 SA)
--------.........10-------------.........20-----....--------...-.30.....---...40........50--.........--60........70..-......80.-.......-90........100.......--110.......120----------........130--....--....140----.......150.......160..--.....170...---....180....--...--190.......200----.....----...------.210.......220.....------------------------------------------------------------------------------------------------------------------------------------------------------------------.-------------------------------------------------------------------------------------------------------------------------------------------------------------------..230.......240.......250.......260------------.--.------------.---...---------.270.......280.......290.......300......-.310-.........320--------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
--------MNSLKDGNH
T
--------------
A
L
T
G
F
I
L
L
GLT-----D
D
P
I
--------
L
R
V
-
I
L
F
M
I
I
LS---GN
L
S
I
I
I
L
I
R
ISSQ---LH
H
P
M
Y
F
F
L
--
S
H
L
A
F
A
D
M
AYSSSV-
T
P
N
M
L
V
N
F
L
-
V
ERNT
V
S
-
Y
L
G
C
A
IQLG
S
A
A
F
F
A
T
V
E
C
V
--
L
L
A
A
M
A
Y
D
R
F
V
A
-----------
I
C
S
P
L
L
Y
STK---MS
T
Q
--
V
S
V
Q
L
L
L
----
V
V
Y
I
A
G
F
L
I
A
V
S
YT
T
S
F
Y
F
L
L
F
--CGPNQ
V
N
H
F
FC---D
F
A
P
L
L
ELSCS--D
I
S
--
V
S
T
V
V
L
SFSSG------
S
I
I
V
V
----
T
V
C
------
V
I
A
V
C
Y
I
Y
I
L
I
T
-
I
L
K
MRS------------------------------------------------------------------------------------------------------------------------------------------------------------------T-------------------------------------------------------------------------------------------------------------------------------------------------------------------EG
H
H
K
A
F
S
T
C
TSH
L
T
V
V
T
L
F
YG
T
I
T
F
I
Y
V
MPNFSY------------S--T------------D---
Q
N
K
---------
V
V
S
V
L
Y
T
V
V
I
P
M
L
N
P
L
I
Y
S
LR
N
K
E
I
K
G
A
L
K
R
E
L
V
R
K
I
L
SH-D
A
---
C
Y
F
SRTSNNDIT--------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
80.59
18%
-148
* C6 *
2Z73
5
OPSD_TODPA
A:
[39-333]
---------------------------------------------------
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
D
K
E
T
E
D
D
K
D
A
E
--------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
79.81
18%
-129
- C6 -
1F88
8
OPSD_BOVIN
A:
[1-348]
--------
M
N
G
T
E
G
P
N
F
Y
VPFSNKTGVVRSPF
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
KK
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
DFGPIFM--
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
--------------------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
76.75
19%
-151
- C6 -
2RH1
16
ADRB2_HUMAN (first)
A:
[46-477]
------------------------------------------------------------
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
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
TGTWDAYKFC--
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
NL----------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
74.45
17%
-134
- C5 -
3ZPJ
-
?
A:
[1-356]
--------
M
T
T
L
E
E
I
N
L
L
--------------
V
E
R
G
Y
Y
E
E
A
L
A
K
V
YEI
E
D
P
I
--------
E
Q
V
Q
V
L
T
K
I
V
V
T
---
I
Y
Q
H
D
G
P
M
E
W
I
P
S
I
---
M
E
D
A
M
Y
I
A
K
--
K
L
R
D
P
A
N
K
A
V
A
Y
S
I
-
I
A
S
T
L
A
I
M
E
-
Y
E
E
D
A
M
D
-
F
F
N
R
A
I
D
E
A
N
E
I
E
S
P
I
E
K
G
M
--
V
L
S
T
L
A
Y
H
L
A
I
A
GY
P
D
N
A
L
E
I
F
N
I
A
F
D
T
I
I
G
A
E
---
T
S
Y
T
--
H
K
V
D
G
I
L
R
I
G
D
L
L
E
K
A
G
D
T
L
P
S
N
E
A
M
D
F
Y
K
M
A
F
D
I
F
D
K
L
H
V
N
Q
R
A
A
---
I
V
E
K
K
I
E
L
A
K
T
V
Y
D
V
G
--
L
P
Q
I
R
A
A
L
L
K
G
K
N
H
Y
A
L
A
I
I
K
K
K
YSG
V
M
R
------
L
I
G
E
L
E
V
A
L
W
M
K
R
V
N
N
M
E
Y
------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
V
V
D
K
A
F
E
C
C
E
S
P
R
F
T
D
V
N
V
Q
H
I
A
R
L
L
T
E
L
G
N
L
R
R
------------
A
--
L
------------
K
---
F
A
K
---------
E
I
Q
N
I
H
K
R
S
E
A
L
K
A
I
A
L
E
L
V
R
R
K
K
F
E
E
V
--
K
K
I
I
E
S
I
P
D
P
-
K
I
---
R
E
E
A
L
N
E
I
G
T
I
E
--------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
74.43
15%
-150
- C6 -
3EML
13
ENLYS_BPT4
A:
[25-472]
--------------------------------------------------
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
VV
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
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
TGTW
D
A
Y
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
DCSH--------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
72.54
15%
-148
- C6 -
3RZE
5
ENLYS_BPT4 (first)
A:
[13-443]
---------------------------------------------------
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
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
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
TGTWDAYLH-
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
R
E
R
K
A
A
K
Q
L
G
F
I
M
A
A
F
I
L
C
W
I
P
Y
F
I
F
F
M
V
I
A
F
C
K
------------
N
CC
N
------------
E
---
H
L
H
---------
M
F
T
I
W
L
G
Y
I
N
S
T
L
N
P
L
I
Y
P
L
C
N
E
N
F
K
K
T
F
K
R
I
L
H
I
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
71.89
17%
-152
- C6 -
3PBL
2
DRD3_HUMAN (first)
A:
[43-472]
---------------------------------------------------
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
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
T
GTWDAYGVP
L
R
E
K
K
A
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
W
L
P
F
F
L
T
H
V
L
N
T
H
C
Q
TCH---------
V
--
S
------------
P
---
E
L
Y
---------
S
A
T
T
W
L
G
Y
V
N
S
A
L
N
P
V
I
Y
T
T
F
N
I
E
F
R
K
A
F
L
K
I
L
S
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
71.28
16%
-146
- C6 -
3UON
4
ACM2_HUMAN (first)
A:
[28-457]
---------------------------------------------------
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
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
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
TGTWDAYPP-
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
PC----------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
70.74
15%
-121
- C6 -
1U19
15
OPSD_BOVIN
A:
[4-349]
--------
M
N
G
T
E
G
P
N
F
Y
VPFSNKTGVVRSPF
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
KK
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
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
T
E
T
S
QVAPA---------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
69.00
15%
-143
- C6 -
2KS9
1
NK1R_HUMAN
A:
[38-325]
------------------------------------------------------------
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
YLK---------
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
M
K
S
T
R
Y
--------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
67.15
15%
-139
- C6 -
3ODU
6
CXCR4_HUMAN (first)
A:
[53-498]
---------------------------------------------------
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
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
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
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
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
TGTWDAYGSK
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
66.77
16%
-147
- C6 -
3V2Y
1
ENLYS_BPT4
A:
[68-495]
---------------------------------------------------
V
--------
V
F
I
-
L
I
C
C
F
I
I
L
---
E
N
I
F
V
L
L
T
I
W
K
T
K
K
---
F
H
R
P
M
Y
Y
F
I
--
G
N
L
A
L
S
D
L
L
A
G
V
A
Y
-
T
A
N
L
L
L
S
G
A
--
T
T
Y
K
L
T
-
P
A
Q
W
F
L
R
E
G
S
M
F
V
A
L
S
A
S
V
F
--
S
L
L
A
I
A
I
E
R
Y
I
T
-----------
M
L
K
-----------
N
N
F
--
R
L
F
L
L
I
S
----
A
C
W
V
I
S
L
I
L
G
G
L
P
I
M
G
W
N
C
---------
I
S
A
L
S
S
C
---
S
T
V
L
P
L
------------
Y
H
K
H
Y
I
L
F
-
C
T
------
T
V
F
T
L
----
L
L
L
------
S
I
V
I
L
Y
C
R
I
Y
S
L
-
V
R
T
R
N
I
F
E
M
L
R
IDEGLRL
K
I
Y
K
D
TE
G
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
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
TGTWDAYA
S
R
-
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
E
N
V
A
L
L
K
T
V
I
I
V
L
S
V
F
I
A
C
W
A
P
L
F
I
L
L
L
L
D
V
G
C
K
------------
V
KT
C
D
I
----------
L
---
F
R
A
---------
E
Y
F
L
V
L
A
V
L
N
S
G
T
N
P
I
I
Y
T
L
T
N
K
E
M
R
R
A
F
I
R
I
M
G
R
P
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
66.08
16%
-120
- C6 -
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
28
HHSearch
62.87
13%
-120
- C6 -
1U19
14
OPSD_BOVIN
A:
[46-330]
------------------------------------------------------------
Y
M
F
-
L
L
I
M
L
G
F
P
---
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
---
L
R
T
P
L
N
Y
I
L
--
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
-
H
G
Y
F
V
F
G
-
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
--
S
L
V
V
L
A
I
E
R
Y
V
V
-----------
V
C
K
P
M
S
N
F
R
F
----
G
E
N
--
H
A
I
M
G
V
A
----
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
G
W
S
R
--
Y
----
I
P
E
G
M
Q
C
S
C
---
G
I
D
Y
Y
T
P
H
-----
E
E
T
--
N
N
E
S
F
V
I
Y
M
F
V
------
V
H
F
I
I
----
P
L
I
------
V
I
F
F
C
Y
G
Q
L
V
F
T
-
V
K
E
A
A
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
QQESA
T
T
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
F
Y
I
F
T
H
Q
GSD---------
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
--------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
60.61
16%
-129
- C6 -
2LNL
-
CXCR1_HUMAN
A:
[44-323]
---------------------------------------------------
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
VIQE
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
56.21
25%
-158
- C6 -
4LDO
3
A:
[187-315]
--------------------------------------------------------------
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
-
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
E
L
L
C
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
55.86
25%
-156
- C6 -
4LDL
3
ADRB2_HUMAN
A:
[187-315]
--------------------------------------------------------------
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
-
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
E
L
L
C
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
55.57
25%
-152
- C6 -
4LDE
3
A:
[187-315]
--------------------------------------------------------------
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
-
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
E
L
L
C
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
55.47
13%
-164
- C7 -
4MFL
7
?
A:
[23-345]
MD
P
E
T
V
R
I
A
L
G
L
E
E
R
T
A
A
--------------
W
L
T
E
L
D
E
L
G
P
P
-----
A
E
P
V
R
L
P
R
G
E
E
A
R
D
L
-
L
R
R
L
E
V
P
E
---
L
D
A
E
E
I
V
A
A
A
P
D
P
D
---
R
D
P
A
L
W
W
L
L
E
R
T
H
H
A
I
V
R
H
M
G
D
H
R
A
-
K
P
R
G
G
P
P
L
P
-
Y
E
G
G
A
A
A
R
Y
F
H
V
Y
V
F
L
A
T
V
P
A
V
R
R
F
H
A
E
R
G
I
P
D
E
V
G
W
E
T
L
T
Q
-----------
L
G
E
L
V
A
I
H
R
R
---
K
Y
G
Q
G
G
M
N
M
Q
W
W
T
----
T
Y
H
L
R
G
I
L
Y
R
L
G
---
R
L
Q
F
S
L
A
--
T
G
K
D
G
T
P
H
L
G
L
A
V
P
E
W
G
G
P
L
L
P
K
A
Y
--
D
E
S
--
L
H
R
A
R
P
F
F
D
R
H
--------
F
P
E
----
H
G
A
------
R
V
A
W
G
S
S
W
M
L
D
P
-
Q
L
E
E
Y
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
D
---------
S
N
I
I
Q
L
A
R
F
W
-------
T
L
T
D
S
A
P
------------
E
--
P
------------
G
---
N
A
D
---------
G
D
S
S
I
L
E
F
V
F
R
Y
N
G
Q
P
L
D
E
L
P
Q
R
-------
S
S
L
E
R
A
V
I
A
H
-
L
K
A
G
R
H
W
H
M
R
T
G
F
V
K
L
P
--------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
55.37
25%
-158
- C6 -
3NY9
4
ADRB2_HUMAN (first)
A:
[46-174]
--------------------------------------------------------------
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
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
I
--------------------------------------------------------------------------------------------------------------------------------------------------