@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 : T2R20_HUMAN: (2016-01-14 )
MMSFLHIVFSILVVVAFILGNFANGFIALINFIAWVKRQKISSADQIIAALAVSRVGLLWVILLHWYSTVLNPTSSNLKVIIFISNAWAVTNHFSIWLATSLSIFYLLKIVNFSRLIFHHLKRKAKSVVLVIVLGSLFFLVCHLVMKHTYINVWTEECEGNVTWKIKLRNAMHLSNLTVAMLANLIPFTLTLISFLLLIYSLCKHLKKMQLHGKGSQDPSTKIHIKALQTVTSFLILLAIYFLCLIISFWNFKMRPKEIVLMLCQAFGIIYPSFHSFILIWGNKTLKQTFLSVLWQVTCWAKGQNQSTP
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.......--
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---------------------M
M
S
F
L
H
I
V
-------------
F
S
I
L
V
-------
V
V
A
F
I
L
G
NFA
N
-
G
F
-----
I
A
L
I
N
F
I
A
W
V
K
R
--QKI
S
S
----
A
D
-------
Q
I
I
A
A
L
A
V
S
R
V
G
L
L
W
-
V
I
-
L
---------
L
H
---------
W
Y
S
-
T
VLNP-T--S-SN
L
K
V
I
I
---
F
ISN
A
W
A
VT
N
H
F
----
S
I
W
-----
L
A
T
S
L
S
I
F
Y
------
L
L
K
I
V
---
N
F
S
R
L
I
F
H
H
L
--
K
R
K
A
K
S
V
V
L
V
-------------
I
V
L
G
----
S
L
F
F
L
V
C
H
L
V
M
K
-
H
-
T
-
Y
--
I
N
V
W
T
E
E-CEG----
N
V
T
W
------
K
-
I
-
K
L---R---N---AM
H
L
S
N
L
T
V
A
M
L
A
N
L
I
------
P
-
F
T
------------
L
T
L
I
---------------
S
F
L
L
--
L
I
Y
S
L
--
C
K
H
L
K
K
M
Q
-------------------------------L--HGK----------------------------------------------------------------------------------------------------------------------------------------------------G-----------------------------------------------------------------------------------------------------------------------------------------------------SQ---DPS
T
K
I
H
I
K
-
A
L
Q
T
V
-----
T
----
S
----
F
-----
L
I
L
L
A
I
-
Y
--
F
---
L
C
L
I
I
----
S
F
WN---FK-M---------
R
P
--
K
E
I
V
L
M
L
C
Q
A
F
------
G
I
IYP--------------------SF
H
S
F
I
L
I
WGN
K
T
L
K
Q
T
F
L
-
S
V
L
W
Q
V
T
C
W
AKGQNQSTP--
27
Fugue
77.43
19%
-142
* C5 *
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
--------------SFKCA
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
YPK
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
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCP
L
--
C
G
V
----------------------------------------------------------------------------------------------------------------------------------------------------
G
-----------------------------------------------------------------------------------------------------------------------------------------------------
K
D
Q
F
E
E
V
E
E
P
L
R
R
K
-
S
I
Y
L
V
-----
I
----
I
----
V
-----
L
T
V
F
A
V
S
Y
--
I
---
P
F
H
V
M
----
K
T
M
N
---
L
R
-
A
---------
R
L
--
D
F
Q
T
P
A
M
C
A
F
N
------
D
R
V
Y
A
--------------------
T
Y
Q
V
T
R
G
L
A
S
L
N
S
C
V
N
P
I
L
-
Y
F
L
A
-------
G
D
T
F
R
R
R
--
30
Fugue
69.68
20%
-91
- C2 -
2W0C
1
SPIKE_BPPM2
L:
[1-335]
--------------------------------------------
M
I
V
-------
K
K
K
L
A
A
G
E
F
A
E
-
T
F
KNGNN
I
T
I
I
K
A
V
G
E
L
V
L
--
R
A
Y
G
A
DGGE
G
L
-------
R
T
I
V
R
Q
G
V
S
I
K
G
M
N
Y
T
S
V
-
M
---------
L
H
TEYAQEIEY
W
V
G
-
D
L
D
Y
S
-
F
--
Q
-
E
Q
----------
T
T
K
S
R
D
V
N
S
F
----
Q
I
P
-----
L
R
D
G
V
-
R
E
L
------
L
P
E
D
A
---
S
R
N
R
A
S
I
K
S
P
--
V
D
I
W
I
G
G
E
N
M
TALNG--------
I
V
D
G
----
G
R
K
F
E
A
G
Q
E
F
Q
I
-
N
-
T
-
F
GS
V
N
Y
W
V
S
D
-
E
E
I
----
R
V
F
K
------
E
-
Y
-
S
A
---
R
---
A
---
K
Y
A
Q
N
E
G
R
T
A
L
E
A
N
N
V
------
P
-
F
F
------------
D
I
D
V
---------------
P
P
E
L
DG
V
P
F
S
L
--
K
A
R
V
R
H
-
K
-------------------------------
S
--
K
G
V
----------------------------------------------------------------------------------------------------------------------------------------------------
D
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
L
---
G
D
Y
T
S
I
S
V
K
P
A
F
Y
I
T
EGDET
T
----
D
----
T
-----
L
I
K
Y
T
S
-
Y
--
G
---
S
T
G
S
H
----
S
G
Y
D
---
F
D
-
D
---------
N
T
--
L
D
V
M
V
T
L
S
A
G
V
------
H
R
V
F
P
VETELDYDAVQEVQHDWYDE
S
F
T
T
F
I
E
V
Y
S
D
D
P
L
L
T
---------
V
K
G
Y
A
Q
I
L
M
E
R
T
---
8
HHSearch
69.49
11%
-136
- C5 -
1U19
14
OPSD_BOVIN
A:
[42-330]
----------------------------
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
YTP
H
---
E
ET-
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
--
32
Fugue
69.05
20%
-136
* C7 *
2CVH
-
RADB_THEKO
A:
[1-220]
---------------------
M
L
S
T
G
T
K
S
-------------
L
D
S
L
L
G
GGFAPG
V
L
T
Q
V
Y
G
P
Y
A
S
-
G
K
-----
T
T
L
A
L
Q
T
G
L
L
S
G
--
K
K
V
A
Y
----
V
D
TEGGFS
P
E
R
L
V
Q
M
A
E
T
R
G
-----------------------------------
L
N
P
-
E
--
E
-
A
L
S
R
F
I
L
---
F
T
P
S
D
F
-----------------------------------------
K
E
Q
R
R
V
I
G
S
L
--
K
K
T
V
D
S
N
F
A
L
-------------
V
V
V
D
----
S
I
---------
T
-
A
-
H
-
Y
--
R
A
---
E
E
-
N
R
S
----
G
-----------
L
-
I
A
---
E
---
L
---
S
R
Q
L
Q
V
L
L
W
I
A
R
K
H
N
I
------
P
------------------------------------
V
I
--
V
I
N
-----------
Q
-------------------------------
V
--
H
F
D
----------------------------------------------------------------------------------------------------------------------------------------------------
S
-----------------------------------------------------------------------------------------------------------------------------------------------------
R
T
---
E
M
T
K
P
V
A
E
Q
-
T
L
G
Y
R
-----
C
----
K
----
D
-----
I
L
R
L
D
K
-
L
--
P
--------------------------------
K
P
--
G
L
R
V
A
V
L
E
R
-----------------------------------
H
R
F
---------
R
P
E
G
L
-
M
A
Y
F
R
I
T
--
E
R
G
-
I
E
D
V
E
--
24
Fugue
64.66
14%
-170
- C7 -
2OZE
3
?
A:
[15-298]
------------------------
M
E
K
E
E
-------------
L
K
I
L
E
-------
E
L
R
R
I
L
S
N
K
N
E
A
I
V
-----
I
L
N
N
Y
F
K
G
G
V
G
----
K
S
K
L
----
S
T
-------
M
F
A
Y
L
T
D
K
L
N
L
K
V
L
M
-
I
D
-
K
DLQA
T
L
T
K
D
L
A
---------
K
T
F
-
K
V
E
L
P
-
R
--
V
-
N
F
Y
E
G
L
K
N
GN
L
A
S
S
I
V
H
L
T
D
N
L
----
D
L
I
PGTFD
L
M
L
L
P
K
L
T
R
------
S
W
T
F
E
---
N
E
S
R
L
L
A
T
L
L
--
A
P
L
K
S
D
Y
D
L
I
-------------
I
I
D
T
V
PTP
S
V
Y
T
N
N
A
I
V
A
S
D
-
Y
-
V
-
M
--
I
P
L
Q
A
E
E
-
E
S
------------------------
T
---
N
---
N
I
Q
N
Y
I
S
Y
L
I
D
L
Q
E
Q
F
------
N
-
P
G
------------
L
D
M
I
---------------
G
F
V
P
--
Y
L
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
T
D
S
A
T
I
K
S
-
N
L
E
E
L
-----
Y
----
K
----
Q
-----
H
K
E
D
N
L
-
V
--
F
-------------------
Q
N
-
I
---------
I
K
--
R
S
N
K
V
S
T
W
S
K
N
------
G
I
T
---------------------------
E
H
K
G
Y
D
K
K
V
L
S
M
Y
K
-
N
V
F
F
E
M
L
E
R
I
I
Q
L
E
N
E
K
E
--
12
HHSearch
64.04
11%
-132
- C5 -
2Z73
5
OPSD_TODPA
A:
[33-336]
-------------------------
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
SRD
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
--
23
Fugue
63.74
16%
-150
- C4 -
4D10
-
CSN2_HUMAN
B:
[34-447]
VD
L
E
N
Q
Y
Y
N
S
K
A
L
K
EDDPKA
A
L
S
S
F
Q
K
V
L
E
LEGEKG
E
W
G
F
K
A
L
K
Q
M
I
-------
K
I
N
F
K
L
T
N
F
P
E
-
M
M
-----
N
R
Y
K
Q
L
L
T
Y
I
R
S
AV
T
R
N
Y
S
----
E
K
-------
S
I
N
S
I
L
D
Y
I
S
T
S
K
Q
M
-
D
L
-
L
---------
Q
E
---------
F
Y
E
-
T
T
L
E
A
L
K
--
D
-
A
K
N
D
R
L
W
---
F
K
T
N
T
K
L
G
K
L
Y
L
E
R
EE
Y
G
K
-----
L
Q
K
I
L
R
Q
L
H
Q
S
CQT
Q
L
L
E
I
Y
---
A
L
E
I
Q
M
Y
T
A
Q
--
K
N
N
K
K
L
K
A
L
Y
E
Q
S
L
H
I
K
S
A
I
P
H
P
L
I
M
G
----
V
I
R
E
C
G
G
K
M
H
L
R
-
E
G
E
-
F
--
E
K
A
H
T
D
F
-
F
E
A
----
F
K
N
Y
------
D
-
E
-
S
----
G
---
S
---
P
R
R
T
T
C
L
K
Y
L
V
L
A
N
M
L
M
KSGIN
P
-
F
D
SQEAKPYKNDPE
I
L
A
M
---------------
T
N
L
V
--
S
A
Y
Q
N
ND
I
T
E
F
E
K
I
L
-------------------------------
K
T
N
H
S
N
----------------------------------------------------------------------------------------------------------------------------------------------------
I
-----------------------------------------------------------------------------------------------------------------------------------------------------
M
D
---
D
P
F
I
R
E
H
I
E
-
E
L
L
R
N
-----
I
----
R
----
T
-----
Q
V
L
I
K
L
-
I
KP
Y
---
T
R
I
H
I
----
P
F
I
S
---
K
E
-
L
---------
N
I
D
V
A
D
V
E
S
L
L
V
Q
C
I
L
D
NTIH
G
R
I
D
Q
--------------------
V
N
Q
L
L
E
L
D
H
Q
K
R
G
G
A
R
Y
T
A
-
L
D
K
W
T
N
Q
L
N
S
L
N
Q
A
V
V
S
K
L
A
13
HHSearch
62.26
15%
-133
- C5 -
2LNL
-
CXCR1_HUMAN
A:
[38-322]
-------------------------
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
TAK
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
-------------
11
HHSearch
61.02
10%
-127
- C5 -
2KS9
1
NK1R_HUMAN
A:
[34-325]
----------------------------
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
PE-
H
---
P
NKI
Y
E
K
V
Y
H
I
C
V
T
V
L
I
Y
F
L
------
P
-
L
L
------------
V
I
G
Y
---------------
A
Y
T
V
--
V
G
I
T
L
--
W
A
S
E
I
P
G
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
-
L
YLK------
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
--
4
HHSearch
57.78
11%
-128
- C5 -
3EML
13
ENLYS_BPT4
A:
[22-472]
---------------------------
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
GEGQVA
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
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
-
C
S--------
H
A
--
P
L
W
L
M
Y
L
A
I
V
L
------
S
H
T
N
S
--------------------
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
-
K
I
I
R
S
H
V
L
R
Q
----------
26
Fugue
55.86
11%
-144
* C6 *
2F68
-
CNA_STAAU
X:
[27-330]
---------------------
H
G
S
A
R
D
I
S
-------------
S
T
N
V
T
-------
D
L
T
V
S
P
S
K
I
E
D
-
G
G
-----
K
T
T
V
K
M
T
F
D
D
K
N
--
G
K
I
Q
N
----
G
D
-------
M
I
K
V
A
W
P
T
S
G
T
------
V
-
K
---------
I
E
---------
G
Y
S
-
K
T
V
P
L
-
T
--
V
-
K
G
E
Q
V
G
Q
---
A
V
I
T
P
D
G
A
T
I
T
F
----
N
D
K
-----
V
E
K
L
S
D
V
S
G
------
F
A
E
F
E
---
V
Q
G
R
N
L
T
Q
T
N
--
T
S
D
D
K
V
A
T
I
T
-------------
S
G
N
K
----
S
T
N
V
T
V
H
K
S
S
S
V
F
Y
-
Y
-
K
--
T
G
D
M
L
P
E
-
D
T
T
----
H
V
R
W
------
F
-
L
-
N
I
---
N
---
N
---
E
K
S
Y
V
S
K
D
I
T
I
K
D
Q
I
Q
------
G
G
Q
Q
------------
L
D
L
S
---------------
T
L
N
I
--
N
V
T
G
T
--
H
S
N
Y
Y
S
G
Q
-------------------------------
S
--
A
I
T
----------------------------------------------------------------------------------------------------------------------------------------------------
D
-----------------------------------------------------------------------------------------------------------------------------------------------------
F
E
---
K
A
F
P
G
S
K
I
T
-
V
D
N
T
K
-----
N
----
T
----
I
-----
D
V
T
I
P
Q
-
G
--
Y
GSY
N
S
F
S
I
----
N
Y
K
T
---
K
I
-
T
---------
N
E
--
Q
Q
K
E
F
V
N
N
S
Q
A
------
W
Y
Q
E
H
--------------------
G
K
E
E
V
N
G
K
S
F
N
H
T
V
H
N
I
-------
N
A
N
A
G
I
E
G
T
V
K
-----
10
HHSearch
55.67
10%
-124
- C5 -
3V2Y
1
ENLYS_BPT4
A:
[63-495]
--------------------------
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
---
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
I
D
EGLRL
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
TGTW
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
CKVKT----
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
-------------
31
Fugue
55.51
13%
-142
- C7 -
4XGC
-
A:
[38-388]
-------------------------
P
C
R
E
-------------
R
E
F
E
N
-------
I
Y
A
F
L
E
G
K
I
Q
D
-
Q
C
-----
M
Y
V
S
G
V
P
G
T
G
K
T
--
A
T
V
T
G
----
V
I
-------
R
T
L
Q
E
-
Y
L
E
I
N
G
M
R
L
-
T
E
-
P
---------
R
Q
---------
A
Y
V
-
Q
I
Y
K
Q
-
L
--
T
-
G
K
----------
T
V
S
W
E
Q
A
H
A
L
----
L
E
K
-----
R
T
T
V
L
L
V
D
E
------
L
D
I
L
C
---
N
R
R
Q
D
V
V
Y
N
L
--
L
D
W
P
T
K
L
V
V
V
-------------
T
I
A
N
----
T
M
D
L
P
E
R
L
G
L
T
R
-
L
-
T
-
F
--
Q
P
Y
S
H
K
Q
-
L
Q
E
----
I
V
T
A
------
R
-
L
-
G
K
---
G
---
E
---
A
V
Q
L
V
A
R
K
V
A
A
V
S
G
D
A
------
R
-
R
A
------------
L
D
I
C
R
R
A
T
E
I
A
D
T
A
AVKCV
T
M
L
H
--
V
Q
Q
A
L
--
A
E
M
I
A
S
A
K
-------------------------------
V
--
Q
A
I
----------------------------------------------------------------------------------------------------------------------------------------------------
R
-----------------------------------------------------------------------------------------------------------------------------------------------------
N
C
---
S
R
M
E
Q
I
F
L
Q
-
A
I
A
A
E
-----
V
----
T
----
R
T
GVEE
T
T
F
M
G
V
-
Y
Q
-
Q
---
V
E
T
I
A
----
A
F
M
G
---
V
T
-
F
---------
P
P
--
P
G
R
A
L
R
L
C
S
K
L
------
G
A
------------------------
E
R
L
I
I
S
E
H
S
R
N
D
L
F
Q
K
I
L
L
N
V
S
A
D
D
I
H
Y
A
L
R
V
-------
3
HHSearch
53.20
15%
-134
- C5 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-243]
-------------------------
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
--
9
HHSearch
51.89
11%
-130
- C5 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-230]
------------------------------------------
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
VW
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
--
28
Fugue
47.07
9%
-130
- C6 -
1JK9
2
CCS1_YEAST
B:
[3-245]
-------------------------
T
N
D
T
-------------
Y
E
A
T
Y
-------
A
I
P
M
H
C
E
N
C
V
N
-
D
I
-----
K
A
C
L
K
N
V
P
G
I
N
S
--
L
N
F
D
I
----
E
Q
-------
Q
I
M
S
V
E
S
----------------------------------------
S
V
-
A
--
P
-
S
T
I
I
N
T
L
---
R
N
C
G
K
D
A
I
I
R
G
A
----
G
--------
K
P
N
S
S
A
V
A
------
I
L
E
T
F
---
Q
K
Y
T
I
D
Q
K
K
D
--
T
A
V
R
G
L
A
R
I
V
-------------
Q
V
G
E
---------------
N
-
K
-
T
-
L
--
F
D
I
T
V
N
G
-
V
P
E
----
A
G
N
Y
------
H
-
A
-
S
I
---
H
---
E
---
K
G
D
V
S
K
G
V
E
S
T
G
K
V
W
H
------
K
-
F
D
------------------------------------------------
E
P
I
E
-------------------------------
C
--
F
N
E
----------------------------------------------------------------------------------------------------------------------------------------------------
S
-----------------------------------------------------------------------------------------------------------------------------------------------------
D
L
---
G
K
N
L
---
Y
S
-
G
K
T
F
L
-----
S
----
A
----
P
-----
L
P
T
W
Q
L
-
I
--
G
---
R
S
F
V
I
----
S
K
S
L
---
N
H
-
P
---------
E
N
--
E
P
S
S
V
K
D
Y
S
F
L
------
G
V
I
A
R
--------------------
S
A
G
----
V
W
E
N
N
K
Q
V
C
A
C
T
-
G
K
----
T
V
W
E
E
R
K
D
A
L
A
---
2
HHSearch
45.83
12%
-116
- C5 -
3RZE
2
ENLYS_BPT4 (first)
A:
[9-204]
---------------------------
M
P
-------------
L
V
V
V
L
-------
S
T
I
C
L
V
T
V
G
L
N
-
L
L
-----
V
L
Y
A
V
R
S
E
R
-----
K
L
H
T
V
----
G
N
-------
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
-
V
V
-
M
---------
P
M
---------
N
I
L
-
Y
L
L
M
S
-
K
W-
S
-
L
G
R
P
L
C
L
---
F
W
L
S
M
D
Y
V
A
S
T
A
----
S
I
F
-----
S
V
F
I
L
C
I
D
R
------
Y
R
S
V
Q
------
Q
P
L
R
-
Y
L
--
K
Y
R
T
K
T
R
A
S
A
-------------
T
I
L
G
----
A
W
F
L
S
F
L
W
V
I
P
I
-
L
-
G
-
W
--
N
H
-------
R
R
----
E
D
K
C
------
E
-
T
-
D
F
---
Y
-------
D
V
T
W
F
K
V
M
T
A
I
I
N
F
Y
L
------
P
-
T
L
------------
L
M
L
W
---------------
F
Y
A
K
--
I
Y
K
A
V
--
R
Q
H
C
N
I
F
E
-------------------------------
M
--
L
R
I
----------------------------------------------------------------------------------------------------------------------------------------------------
D
-----------------------------------------------------------------------------------------------------------------------------------------------------
E
G
---
L
R
L
K
I
Y
K
D
T
-
E
G
Y
Y
T
-----
I
----
G
----
I
-----
G
H
L
L
T
K
-
S
--
P
---
S
L
N
A
A
----
K
S
E
L
---
D
K
-
A
---------
I
G
--
R
N
T
N
G
V
I
T
K
D
E
------
A
E
K
L
F
--------------------
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
-
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
--
5
HHSearch
40.56
10%
-114
- C5 -
2RH1
6
ADRB2_HUMAN (first)
A:
[41-239]
---------------------------
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
--
1
HHSearch
39.77
6%
-117
- C5 -
3UON
2
ACM2_HUMAN (first)
A:
[25-218]
----------------------------
F
-------------
I
V
L
V
A
-------
G
S
L
S
L
V
T
I
I
G
N
-
I
L
-----
V
M
V
S
I
K
V
N
R
-----
H
L
Q
T
V
----
N
N
-------
Y
F
L
F
S
L
A
C
A
D
L
I
I
G
V
-
F
S
-
M
---------
N
L
---------
Y
T
L
-
Y
T
V
I
G
-
Y
W-
P
-
L
G
P
V
V
C
D
---
L
W
L
A
L
D
Y
V
V
S
N
A
----
S
V
M
-----
N
L
L
I
I
S
F
D
R
------
Y
F
C
V
T
------
K
P
L
T
-
Y
P
--
V
K
R
T
T
K
M
A
G
M
-------------
M
I
A
A
----
A
W
V
L
S
F
I
L
W
A
P
A
-
I
-
L
-
F
--
W
Q
F
I
V
G
V
R
T
V
E
----
D
G
E
C
------
Y
-
I
-
Q
F
---
F
-------
S
N
A
A
V
T
F
G
T
A
I
A
A
F
Y
L
------
P
-
V
I
------------
I
M
T
V
---------------
L
Y
W
H
--
I
S
R
A
S
--
K
S
R
I
N
I
F
E
-------------------------------
M
--
L
R
I
----------------------------------------------------------------------------------------------------------------------------------------------------
D
-----------------------------------------------------------------------------------------------------------------------------------------------------
E
G
---
L
R
L
K
I
Y
K
D
T
-
E
G
Y
Y
T
-----
I
----
G
----
I
-----
G
H
L
L
T
K
-
S
--
P
---
S
L
N
A
A
----
K
S
E
L
---
D
K
-
A
---------
I
G
--
R
N
T
N
G
V
I
T
K
D
E
------
A
E
K
L
F
--------------------
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
-
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
--
18
HHSearch
31.73
16%
155
- C5 -
2Z73
2
OPSD_TODPA
A:
[255-279]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
--