@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 : GP160_HUMAN: (2016-01-10 )
MTALSSENCSFQYQLRQTNQPLDVNYLLFLIILGKILLNILTLGMRRKNTCQNFMEYFCISLAFVDLLLLVNISIILYFRDFVLLSIRFTKYHICLFTQIISFTYGFLHYPVFLTACIDYCLNFSKTTKLSFKCQKLFYFFTVILIWISVLAYVLGDPAIYQSLKAQNAYSRHCPFYVSIQSYWLSFFMVMILFVAFITCWEEVTTLVQAIRITSYMNETILYFPFSSHSSYTVRSKKIFLSKLIVCFLSTWLPFVLLQVIIVLLKVQIPAYIEMNIPWLYFVNSFLIATVYWFNCHKLNLKDIGLPLDPFVNWKCCFIPLTIPNLEQIEKPISIMIC
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..---....---------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------MTALSSEN
C
---------
S
F
----------------
Q
Y
Q
L-RQTNQ-PL
D
V
------
N
Y
L
L
F
L
I
I
L
G
K
I
L
L
N
I
L
T
L
G
MRR-
K
-
N
T
C
-----------
Q
N
F
M
E
Y
F
C
I
S
L
A
F
------------
V
D
L
L
L
L
V
-
N
--
I
S
I
I
L
Y
F
R
----
D
F
V
--
L
L
S
I
R
F
T
K
Y
H
I
C
L
F
---
T
---
Q
---
I
I
-
S
F
T
Y
G
F
L
H
Y
P
---
V
F
L
T
-------
A
C
I
D
---------
Y
CLNFSKT
T
K
L
S
--
F
K
---
C
Q
K
L
F
Y
F
F
T
V
----------
I
L
I
W
I
S
V
L
A
Y
--VLG
D
P
A
---
I
Y
Q
S
L
K
AQ-N---A-Y-S------RHC
P
----------
F
-------
Y
V
S
-------
I
-------
Q
-
S
Y
---
W
--
L
--
S
F
F
--
M
V
M
I
L
F
V
A
F
I
T
C
W
E
E
V
T
T
L
V
Q
A
I
R
I
T
S
YMNE
T
I
-----
L
--------------------------------------------------------------------------------------------------------------------------------
Y
-------------------------------------------------
F
------------------------------------------------------------------------------P-F--------------S---------------SHS
S
Y
T
V
R
S
K
K
--
I
F
L
S
K
L
I
V
C
F
L
S
-------
T
W
L
-
P
F
V
L
L
Q
V
I
I
V
L
L
K-V----------QI
P
A
Y
I
E-MN
I
P
-
W
L
Y
F
V
-------
N
S
-
F
L
I
A
T
V
Y
W
F
---
N
C
H
K
L
N
L
K
DIGLPLDP-----FVN
W
K
C
C
F
I
PLTIP
N
L
E
Q
I
EKP
I
S
---
I
M
IC---------------
37
Fugue
81.52
15%
-145
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-------
M
N
G
T
E
G
P
N
F
---------
Y
V
PFSNKTGVVRSPFEAP
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
GMQC
S
C
G
I
D
Y
-------
Y
T
P
-------
H
-------
E
-
E
T
---
N
--
N
--
E
S
F
--
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
E
A
A
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
---------------
A
T
T
Q
K
A
E
K
E
V
T
--
R
M
V
I
I
M
V
I
A
F
L
I
-------
C
W
L
-
P
Y
A
G
V
A
F
Y
I
F
T
H
Q
-
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
------------------------
32
Fugue
79.41
16%
-162
- C2 -
4BZF
3
GALM_BACSU
A:
[1-322]
---------------
A
---------
N
F
----------------
I
E
K
I
-
T
Y
L
G
T
-
P
A
I
K
A
G
----
N
E
H
L
E
M
I
V
V
P
E
W
G
S
N
V
I
S
L
V
D
K
T
-
T
-
N
V
Q
-------------
L
L
R
E
P
E
T
A
E
S
F
------------
H
D
T
P
T
L
Y
-
G
--
I
P
I
L
F
P
P
N
----
R
I
S
DG
T
F
S
F
R
G
R
T
Y
H
F
D
I
N
---
E
---
K
---
D
K
H
N
H
L
H
G
F
L
Y
H
E
K
W
N
V
V
T
T
-------
K
Q
T
D
---------
E
G
V
I
V
E
T
E
I
D
L
S
EL
P
H
---
V
Q
K
Q
F
P
H
H
A
V
----------
V
R
M
T
Y
T
I
K
-------
E
N
T
---
L
F
K
H
A
T
V
M
-
N
---
K
-
G
-
K
------
E
A
F
P
----------
W
-------
G
I
G
-------
Y
-------
H
-
T
T
---
F
--
I
--
F
P
A
--
E
S
S
L
F
S
L
T
A
D
Q
Q
W
E
L
D
E
R
L
L
P
T
G
K
L
M
D
V
P
Y
K
E
A
-----
L
--------------------------------------------------------------------------------------------------------------------------------
H
-------------------------------------------------
E
------------------------------------------------------------------------------
G
-
M
--------------
D
---------------
L
R
H
K
---
Q
L
D
D
--
V
F
L
S
S
Y
Q
K
R
G
G
E
-------
N
--------
Q
A
V
I
Y
H
Q
H
-
A
----------
H
I
S
I
I
Y
K
-
A
D
E
Q
-
F
K
H
W
V
V
Y
NADGK
Q
G
-
Y
L
C
P
E
P
Y
T
W
---
V
T
N
A
V
N
L
---
D
L
P
----------
S
S
L
T
G
L
Q
V
L
E
P
G
E
E
T
T
A
K
S
S
I
T
---
I
E
L
N
---------------
35
Fugue
79.20
16%
-135
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
-------
M
N
G
T
E
G
P
N
F
---------
Y
V
PFSNKTGVVRSPFEAP
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
GMQC
S
C
G
I
D
Y
-------
Y
T
P
-------
H
-------
E
-
E
T
---
N
--
N
--
E
S
F
--
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
--
V
K
E
A
A
-----
A
--------------------------------------------------------------------------------------------------------------------------------
Q
-------------------------------------------------
Q
------------------------------------------------------------------------------
Q
-
E
--------------
S
---------------
A
T
T
Q
K
A
E
K
E
V
T
--
R
M
V
I
I
M
V
I
A
F
L
I
-------
C
W
L
-
P
Y
A
G
V
A
F
Y
I
F
T
H
Q
-
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
------------------------
15
HHSearch
77.97
14%
-175
- C4 -
3UON
4
ACM2_HUMAN (first)
A:
[27-455]
----------------------------------------------------------------
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
VRT
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
LRL
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
TGTW
D
A
Y
P
P
P
S
R
E
K
K
V
T
R
T
I
L
A
I
L
L
A
F
I
I
-------
T
W
A
-
P
Y
N
V
M
V
L
I
N
T
F
C
A
-
P
----------
C
I
P
N
T
V
W
-
T
I
G
Y
-
W
L
C
Y
I
-------
N
S
-
T
I
N
P
A
C
Y
A
L
---
C
N
A
T
F
K
K
T
F
K
H
L
L
M
-----------------------------------------------------
26
HHSearch
76.79
17%
-173
- C4 -
3V2Y
1
ENLYS_BPT4
A:
[62-488]
----------------------------------------------------
S
-
I
K
L
T
------
S
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
LY-----
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
I
D
E
-----
G
LRL
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
T-----------------------------------
G
------------------------------------------------------------------------------
T
-
W
--------------
D
---------------
A
Y
A
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
---------------------------------------------
38
Fugue
74.80
16%
-147
- C4 -
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
KT
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
DEY----
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
TVCG
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
GVGKDQ
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
L
A
G
D
T
F
---
R
R
R
----------------
27
HHSearch
72.43
13%
-163
- C4 -
2Z73
5
OPSD_TODPA
A:
[34-329]
------------------------------------------------------
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
RD
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
R
-----
L
--------------------------------------------------------------------------------------------------------------------------------
N
-------------------------------------------------
A
------------------------------------------------------------------------------
K
E
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
------------------
21
HHSearch
71.32
16%
-164
- C4 -
3EML
13
ENLYS_BPT4
A:
[24-462]
---------------------------------------------------------
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
GQVACLF
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
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
-
D
CS--------
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
------------------------------------------
23
HHSearch
69.96
12%
-159
* C4 *
1U19
13
OPSD_BOVIN
A:
[41-319]
-------------------------------------------------------
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
TPHEETN
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
----------------------
24
HHSearch
68.33
12%
-166
- C4 -
2KS9
1
NK1R_HUMAN
A:
[31-318]
----------------------------------------------------
Q
-
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
HPNKIY
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
D
S
S
D
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
--------------
H
---------------
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
LYLK------
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
---------------
25
HHSearch
66.87
15%
-154
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[43-317]
----------------------------------------------------------------
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
DTAKWR-
M
-
V
L
---
R
IL
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
QVIQE
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
---------------------------------------------
17
HHSearch
63.03
17%
-174
- C4 -
2RH1
6
ADRB2_HUMAN (first)
A:
[43-238]
---------------------------------------------------------
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
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
---
K
R
W
D
---------------
40
Fugue
61.32
16%
-181
- C1 -
4C1N
2
?
A:
[1-442]
GLT
G
L
E
I
Y
K
H
L
P
K
K
N
C
KECGQPT
C
L
A
F
----------------
A
M
Q
I
-
A
A
G
K
A
-
G
L
D
A
CPYVS
D
E
A
K
E
L
L
E
S
A
S
A
P
P
V
A
L
I
K
V
G
K
G
E
-
K
-
V
L
E
I
G
HETVLFRHD
K
R
F
E
H
P
C
G
L
A
I
L
V
E
DTLS
E
G
E
I
K
E
R
V
E
K
I
N
K
L
-
V
--
F
D
R
V
G
Q
M
H
----
S
V
N
--
L
V
A
L
K
G
S
S
Q
D
A
A
T
F
---
A
---
K
---
A
V
-
A
T
A
R
E
V
T
D
L
P
---
F
I
L
I
G
T
P
E
Q
L
A
A
A
L
E
TEGANNPLL
Y
A
A
T
A
D
N
Y
E
Q
M
V
--
E
L
---
A
K
K
Y
N
V
P
L
T
V
S
A
K
G
L
D
A
L
A
E
L
V
Q
K
I
T
A
L
G
Y
KN
L
I
L
D
P
Q
PEN
I
S
E
G
L
F
Y
Q
-
T
---
Q
-
I
-
R
------
R
L
A
I
KK--------
L
-------
F
R
P
-------
F
-------
G
-
Y
P
---
T
--
I
--
A
F
A
--
L
D
E
N
P
Y
Q
A
V
M
E
A
S
V
Y
I
A
K
Y
A
G
I
I
V
L
N
T
V
E
P
A
D
I
-----
L
--------------------------------------------------------------------------------------------------------------------------------
P
-------------------------------------------------
L
------------------------------------------------------------------------------
I
-
T
--------------
L
---------------
R
L
N
I
Y
T
D
P
Q
K
P
--
I
A
V
E
P
K
V
Y
E
I
L
N
-------
P
G
P
D
A
P
V
F
I
T
T
N
F
S
L
T
Y
-
F
----------
C
V
A
G
D
V
E
G
A
R
I
P
A
Y
I
L
P
V
-------
D
T
-
D
G
T
S
V
L
T
A
W
---
A
A
G
K
F
T
P
E
K
I
A
Q
F
L
K
E
SG
I
A
E
K
V
N
H
R
K
A
I
L
P
G
G
V
A
V
L
S
G
K
L
Q
E
L
S
G
W
E
I
L
V
G
P
RESSG
I
N
S
F
I
K
Q
RW
16
HHSearch
56.53
14%
-172
- C4 -
3RZE
2
ENLYS_BPT4 (first)
A:
[11-203]
---------------------------------------------------------
L
------
V
V
V
L
S
T
I
C
L
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
-
S
E
R
K
L
-----------
H
T
V
G
N
L
Y
I
V
S
L
S
V
------------
A
D
L
I
V
G
A
V
V
--
M
P
M
N
I
L
-
Y
----
L
L
---
M
S
K
W
S
L
-
G
R
P
L
C
L
F
---
W
L
S
M
D
---
Y
V
-
A
S
T
A
S
I
F
S
V
------
F
I
-------
L
C
I
D
---------
R
Y
R
S
V
Q
Q
P
L
R
Y
L
--
K
Y
---
R
T
K
T
R
A
S
A
T
I
----------
L
G
A
W
F
L
S
F
L
W
--
V
I
P
-
I
----
L
-
G
W
N
H
-------
R
-
R
-
E
------
D
K
C
E
----------
T
-------
D
F
Y
-------
D
-------
V
T
W
F
---
K
V
M
T
--
A
I
I
--
N
F
Y
L
P
T
L
L
M
L
W
F
Y
A
K
I
Y
K
A
V
R
Q
H
C
N
I
F
E
M
L
R
I
D
-----
E
--------------------------------------------------------------------------------------------------------------------------------
G
-------------------------------------------------
L
------------------------------------------------------------------------------
R
-
L
--------------
K
---------------
I
Y
K
D
T
E
G
Y
Y
T
I
--
G
I
G
H
L
L
T
K
S
P
S
L
-------
N
A
A
-
K
S
E
L
D
K
A
I
G
R
N
T
N
-
G
----------
V
I
T
K
D
E
A
-
E
K
L
F
-
N
Q
D
V
D
-------
A
A
-
V
R
G
I
L
R
N
A
K
---
L
K
P
V
Y
D
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
---------------
18
HHSearch
56.11
11%
-167
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-242]
----------------------------------------------------
N
-
K
I
F
L
------
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
-
Y
Q
K
K
L
-----------
R
S
M
T
D
K
Y
R
L
H
L
S
V
------------
A
D
L
L
F
V
I
-
T
--
L
P
F
W
A
V
D
A
---------
V
A
N
W
Y
F
-
G
N
F
L
C
K
A
---
V
---
H
V
I
Y
T
V
-
N
L
Y
S
S
V
W
I
L
------
A
F
-------
I
S
L
D
---------
R
Y
L
A
I
V
H
A
T
N
S
Q
--
R
P
---
R
K
L
L
A
E
K
V
V
Y
----------
V
G
V
W
I
P
A
L
L
L
--
T
I
P
-
D
----
F
I
F
A
N
V
S
E
-
A
---
D
-
D
-
R
------
Y
I
C
D
----------
R
-------
F
Y
P
-------
N
D
L
W
V
---
V
-
V
F
---
Q
F
Q
H
--
I
M
V
--
G
L
I
L
P
G
I
V
I
L
S
C
Y
C
I
I
I
S
K
L
S
H
S
G
S
N
I
F
E
M
L
R
I
-----
D
--------------------------------------------------------------------------------------------------------------------------------
E
-------------------------------------------------
G
------------------------------------------------------------------------------
L
-
R
--------------
L
---------------
K
I
Y
K
D
T
E
G
Y
Y
T
--
I
G
I
G
H
L
L
T
K
S
P
S
-------
L
N
A
-
A
K
S
E
L
D
K
A
I
G
R
N
T
-
N
----------
G
V
I
T
K
D
E
-
A
E
K
L
-
F
N
Q
D
V
-------
D
A
-
A
V
R
G
I
L
R
N
A
---
K
L
K
P
V
Y
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
---------------
1
PsiBlast_PDB
56.08
22%
-145
- C3 -
2VT4
5
ADRB1_MELGA
A:
[178-283]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
------------------------------------------------------
19
HHSearch
55.78
14%
-179
- C4 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-229]
---------------------------------------------------------
Y
------
A
L
S
Y
C
A
L
I
L
A
I
V
F
G
N
G
L
V
C
M
A
V
L
-
K
E
R
A
L
-----------
Q
T
T
T
N
Y
L
V
V
S
L
A
V
------------
A
D
L
L
V
A
T
L
V
--
M
P
W
V
V
Y
-
L
----
E
V
T
--
G
G
V
W
N
F
-
S
R
I
C
C
D
V
---
F
V
T
L
D
---
V
M
-
M
C
T
A
S
I
W
N
L
------
C
A
-------
I
S
I
D
---------
R
Y
T
A
V
V
M
P
V
H
Y
Q
--
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
----------
T
A
V
W
V
L
A
F
A
V
--
S
C
P
-
L
----
L
F
G
F
N
T
T
------
G
-
D
-
P
------
T
V
C
S
----------
I
-------
S
N
P
-------
D
-------
F
-
V
I
---
Y
--
S
--
S
V
V
--
S
F
Y
L
P
F
G
V
T
V
L
V
Y
A
R
I
Y
V
V
L
K
Q
R
R
R
K
N
I
F
E
M
L
R
-----
I
--------------------------------------------------------------------------------------------------------------------------------
D
-------------------------------------------------
E
------------------------------------------------------------------------------
G
-
L
--------------
R
---------------
L
K
I
Y
K
D
T
E
G
Y
Y
--
T
I
G
I
G
H
L
L
T
K
S
P
-------
S
L
N
-
A
A
K
S
E
L
D
K
A
I
G
R
N
-
T
----------
N
G
V
I
T
K
D
-
E
A
E
K
-
L
F
N
Q
D
-------
V
D
-
A
A
V
R
G
I
L
R
N
---
A
K
L
K
P
V
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
---------------
4
PsiBlast_PDB
53.32
22%
-141
- C3 -
2YCZ
1
ADRB1_MELGA
A:
[178-283]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
K
I
D
R
A
S
K
R
K
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
F
-----------------------------------------------------
5
PsiBlast_PDB
52.71
22%
-145
- C3 -
2YCY
3
ADRB1_MELGA
A:
[178-283]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
--
D
R
A
S
K
R
K
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
F
-----------------------------------------------------
2
PsiBlast_PDB
50.22
22%
-151
- C3 -
2YCW
4
ADRB1_MELGA
A:
[178-283]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
K
I
D
R
A
S
K
R
K
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
F
-----------------------------------------------------