@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 : NPBW2_HUMAN: (2016-01-11 )
MQAAGHPEPLDSRGSFSLPTMGANVSQDNGTGHNATFSEPLPFLYVLLPAVYSGICAVGLTGNTAVILVILRAPKMKTVTNVFILNLAVADGLFTLVLPVNIAEHLLQYWPFGELLCKLVLAVDHYNIFSSIYFLAVMSVDRYLVVLATVRSRHMPWRTYRGAKVASLCVWLGVTVLVLPFFSFAGVYSNELQVPSCGLSFPWPEQVWFKASRVYTLVLGFVLPVCTICVLYTDLLRRLRAVRLRSGAKALGKARRKVTVLVLVVLAVCLLCWTPFHLASVVALTTDLPQTPLVISMSYVITSLSYANSCLNPFLYAFLDDNFRKNFRSILRC
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)
MQAAGHPEPLDSRGSFSLPTMGANVSQDNGTGHNATFSE
P
L
P
F
L
Y
V
L
L
P
A
V
YSG
I
C
A
VGLTG
N
T
A
V
I
L
V
I
LRAPKMK
T
V
T
N
V
F
I
L
N
L
AVAD---
G
L
F
-
T
L
V
L
P
V
N
I
A
E
H
L
-
L
Q
Y-W
P
F
G
E
L
L
C
K
L
V
L
A
V
D
H
Y
N
I
F
S
S
I
Y
F
L
A
V
M
S
VD
R
Y
L
V
V
L
A
T
V
R
SRHMPW-RTYRG
A
K
V
A
S
L
C
V
W
L
G
V
T
V
L
V
L
P
F
F
S
F
A
G
VYSNE--LQVPS---C-GLSFP-W
P
E
-
Q
V
W
F
K
A
S
R
V
Y
T
L
---
V
L
G
F
V
L
P
V
C
T
I
C
V
L
Y
T
D
L
L
R
R
L
------------------------
R
A
V
R
L
------------
R
S
G
A
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-----------
A
L
G
----------------------------------------
K
AR---------
R
K
V
T
V
L
V
L
V
V
L
A
V
C
L
L
CW
T
P
F
H
L
-------
A
S
V
V
A
-
L
TTDL--------P-QT
P
L
V
I
S
M
------
S
Y
V
I
T
-
S
L
S
Y
A
N
S
C
L
N
P
F
L
Y
A
F
LD
D
N
F
R
K
N
F
R
S
I
LRC
21
PsiBlast_CBE
89.43
42%
-152
- C7 -
4RWD
6
C562_ECOLX (first)
B:
[121-405]
-------------------------------------------
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
---
A
L
A
-
T
S
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
--
L
D
F
-
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
A
V
T
R
P
R
D
--
G
A
V
-
V
---
C
-
M
L
Q
F
P
-
S
P
S
-
W
Y
W
D
T
V
T
K
I
C
V
F
---
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
------------------------
R
S
V
R
L
------------
L
S
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-----------
E
K
D
----------------------------------------
R
S
L
---------
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
-------
F
V
I
V
W
-
T
L
V
D
I
--------
D
R
R
D
P
L
V
V
A
A
------
L
H
L
C
I
-
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
---
4
PsiBlast_PDB
89.16
42%
-152
- C7 -
4RWD
7
C562_ECOLX (first)
A:
[121-406]
-------------------------------------------
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
---
A
L
A
-
T
S
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
--
L
D
F
-
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
A
V
T
R
P
R
D
--
G
A
V
-
V
---
C
-
M
L
Q
F
P
-
S
P
S
-
W
Y
W
D
T
V
T
K
I
C
V
F
---
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
------------------------
R
S
V
R
L
------------
L
S
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-----------
E
K
D
----------------------------------------
R
S
L
---------
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
-------
F
V
I
V
W
-
T
L
V
D
I
--------
D
R
R
D
P
L
V
V
A
A
------
L
H
L
C
I
-
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
--
2
PsiBlast_PDB
89.08
42%
-152
- C7 -
4N6H
23
C562_ECOLX (first)
A:
[124-410]
-------------------------------------------
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
---
A
L
A
-
T
S
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
--
L
D
F
-
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
A
V
T
R
P
R
D
--
G
A
V
-
V
---
C
-
M
L
Q
F
P
-
S
P
S
-
W
Y
W
D
T
V
T
K
I
C
V
F
---
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
------------------------
R
S
V
R
L
------------
L
S
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-----------
E
K
D
----------------------------------------
R
S
L
---------
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
-------
F
V
I
V
W
-
T
L
V
D
I
--------
D
R
R
D
P
L
V
V
A
A
------
L
H
L
C
I
-
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
R
K
3
PsiBlast_PDB
88.19
42%
-155
- C7 -
4RWA
2
C562_ECOLX (first)
A:
[121-406]
-------------------------------------------
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
---
A
L
A
-
T
S
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
--
L
D
F
-
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
A
V
T
R
P
R
D
--
G
A
V
-
V
---
C
-
M
L
Q
F
P
-
S
P
S
-
W
Y
W
D
T
V
T
K
I
C
V
F
---
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
---------------------------------------------
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-----------
E
K
D
----------------------------------------
R
S
L
---------
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
-------
F
V
I
V
W
-
T
L
V
D
I
--------
D
R
R
D
P
L
V
V
A
A
------
L
H
L
C
I
-
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
Q
L
C
--
22
PsiBlast_CBE
87.79
42%
-156
- C7 -
4RWA
1
C562_ECOLX (first)
B:
[121-403]
-------------------------------------------
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
---
A
L
A
-
T
S
T
L
P
F
Q
S
A
K
Y
L
-
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
--
L
D
F
-
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
A
V
T
R
P
R
D
--
G
A
V
-
V
---
C
-
M
L
Q
F
P
-
S
P
S
-
W
Y
W
D
T
V
T
K
I
C
V
F
---
L
F
A
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
--------------------------------------------
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-----------
E
K
D
----------------------------------------
R
S
L
---------
R
R
I
T
R
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
-------
F
V
I
V
W
-
T
L
V
D
I
--------
D
R
R
D
P
L
V
V
A
A
------
L
H
L
C
I
-
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
-----
5
PsiBlast_PDB
87.64
39%
-143
- C7 -
4EA3
3
C562_ECOLX (first)
A:
[124-405]
-------------------------------------------
L
K
V
T
I
V
G
L
Y
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
---
T
L
V
-
L
L
T
L
P
F
Q
G
T
D
I
L
-
L
G
F
-
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
V
P
-
V
A
I
M
G
S
A
Q
V
E
--
D
E
E
I
E
---
C
-
L
V
E
I
P
-
T
P
Q
-
D
Y
W
G
P
V
F
A
I
C
I
F
---
L
F
S
F
I
V
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
R
L
------------------------
R
G
V
R
L
------------
L
S
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-----------
E
K
D
----------------------------------------
R
N
L
---------
R
R
I
T
R
L
V
L
V
V
V
A
V
F
V
G
C
W
T
P
V
Q
V
-------
F
V
L
A
Q
-
G
L
G
V
Q
--------
P
-
S
S
E
T
A
V
A
I
------
L
R
F
C
T
-
A
L
G
Y
V
N
S
C
L
N
P
I
L
Y
A
F
L
D
E
N
F
K
A
C
F
R
-----
23
PsiBlast_CBE
86.45
39%
-146
- C7 -
4EA3
3
C562_ECOLX (first)
B:
[124-406]
-------------------------------------------
L
K
V
T
I
V
G
L
Y
L
A
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
---
T
L
V
-
L
L
T
L
P
F
Q
G
T
D
I
L
-
L
G
F
-
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
I
R
A
--
L
D
V
-
R
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
V
P
-
V
A
I
M
G
S
A
-------
E
I
E
---
C
-
L
V
E
I
P
-
T
P
Q
-
D
Y
W
G
P
V
F
A
I
C
I
F
---
L
F
S
F
I
V
P
V
L
V
I
S
V
C
Y
S
L
M
I
R
R
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
K
D
----------------------------------------
R
N
L
---------
R
R
I
T
R
L
V
L
V
V
V
A
V
F
V
G
C
W
T
P
V
Q
V
-------
F
V
L
A
Q
-
G
L
G
V
Q
--------
P
-
S
S
E
T
A
V
A
I
------
L
R
F
C
T
-
A
L
G
Y
V
N
S
C
L
N
P
I
L
Y
A
F
L
D
E
N
F
K
A
C
F
R
K
F
---
1
PsiBlast_PDB
85.96
40%
-158
- C7 -
5C1M
7
?
A:
[18-296]
---------------------------------------------
I
T
I
M
A
L
Y
S
I
V
C
V
V
G
L
F
G
N
F
L
V
M
Y
V
I
V
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
---
A
L
A
-
T
S
T
L
P
F
Q
S
V
N
Y
L
-
M
G
T
-
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
--
L
D
F
-
R
T
P
R
N
A
K
I
V
N
V
C
N
W
I
L
S
S
A
I
G
L
P
V
M
F
M
A
T
T
K
Y
R
Q
--
G
S
I
-
D
---
C
-
T
L
T
F
S
-
H
P
T
-
W
Y
W
E
N
L
L
K
I
C
V
F
---
I
F
A
F
I
M
P
V
L
I
I
T
V
C
Y
G
L
M
I
L
R
L
------------------------
K
S
V
R
M
------------
L
S
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
-----------
E
K
D
----------------------------------------
R
N
L
---------
R
R
I
T
R
M
V
L
V
V
V
A
V
F
I
V
C
W
T
P
I
H
I
-------
Y
V
I
I
K
-
A
L
I
T
I
--------
P
-
E
T
T
F
Q
T
V
S
------
W
H
F
C
I
-
A
L
G
Y
T
N
S
C
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
------
58
Fugue
82.91
29%
-143
- C7 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
----
S
F
K
C
A
L
T
K
T
G
----------------------------
F
Q
F
Y
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
---
F
L
Y
-
V
L
T
L
P
A
L
I
F
Y
Y
F
-
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
---
Y
P
K
S
L
G
R
-
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
S
P
I
L
F
Y
S
G
T
G
V
R
K
--
N
K
T
I
T
---
C
Y
D
T
T
S
D
-
E
Y
L
-
R
S
Y
F
I
Y
S
M
C
T
T
V
---
A
M
-
F
C
V
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
------------------------
I
Y
K
M
K
------------
K
Y
T
C
------------------------------------------------------------------------------------------------------------------------------------------------------------
T
-----------
V
C
G
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLCGVGKDQ
F
E
E
V
EE
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
DFQTPAM
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
-------
18
PsiBlast_PDB
81.19
24%
-159
- C7 -
4MBS
8
CCR5_HUMAN (first)
A:
[34-359]
----------------------------------------------
L
L
P
P
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
K
S
M
T
D
I
Y
L
L
N
L
A
I
S
D
---
L
F
F
-
L
L
T
V
P
F
-
W
A
H
Y
A
-
A
A
Q
-
W
D
F
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
F
A
--
L
K
A
-
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
V
F
A
S
L
P
N
I
I
F
T
R
S
Q
K
E
G
--
L
H
Y
-
T
---
C
-
S
S
H
F
P
-
Y
S
Q
Y
Q
F
W
K
N
F
Q
T
L
K
I
V
---
I
L
G
L
V
L
P
L
L
V
M
V
I
C
Y
S
G
I
L
K
T
L
------------------------
L
R
M
K
K
Y
T
C
TVCG
Y
I
Y
N
P
E
D
G
D
------------------------------------------------------------------------------------------------------------------------------------------------------------
P
-----------
D
N
G
VNPGTDFKDIPDDWVCPLCGVGKDQ
F
E
E
V
E
E
E--------
K
K
R
---------
H
R
D
V
R
L
I
F
T
I
M
I
V
Y
F
L
F
W
A
P
Y
N
I
V
L
L
L
N
T
F
Q
E
F
F
G
-
L
N
N
C
S
--------
S
-
S
N
R
L
D
Q
A
M
------
Q
-
V
T
E
-
T
L
G
M
T
H
C
C
I
N
P
I
I
Y
A
F
V
G
E
E
F
R
N
Y
L
L
V
F
F
Q
-
20
PsiBlast_PDB
80.72
26%
-150
- C7 -
4XNW
2
RUBR_CLOPA
A:
[48-382]
------------------------------------------
F
Q
F
Y
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
---
F
L
Y
-
V
L
T
L
P
A
L
I
F
Y
Y
F
-
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
L
K
S
--
L
G
R
-
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
S
P
I
L
F
Y
S
G
T
G
V
R
K
--
N
K
T
I
T
---
C
----
Y
D
-
T
T
S
-
D
E
Y
L
R
S
Y
F
I
Y
S
M
C
T
T
V
A
M
F
C
V
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
I
Y
K
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPD
N
G
V
N
P
------------
G
T
D
F
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
DIPDDWVCPLC
G
V
G
----------------------------------------
K
D
Q
F
E
E
V
EE
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
-------
17
PsiBlast_PDB
80.13
27%
-130
- C7 -
2KSB
1
NK1R_HUMAN
A:
[6-322]
--------
P
V
D
S
D
L
S
---
P
N
I
S
T
N
T
S
E
P
N
------
Q
F
V
Q
P
-
A
W
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
RV
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
G
D
S
SDRY--------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------
Y
-
L
K
K
F
I
Q
Q
V
------
Y
L
A
I
M
-
W
L
A
M
S
S
T
M
Y
N
P
I
I
Y
C
C
L
N
D
R
F
R
L
G
F
K
H
A
F
R
C
16
PsiBlast_PDB
80.13
27%
-130
- C7 -
2KSA
1
NK1R_HUMAN
A:
[6-322]
--------
P
V
D
S
D
L
S
---
P
N
I
S
T
N
T
S
E
P
N
------
Q
F
V
Q
P
-
A
W
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
RV
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
G
D
S
SDRY--------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------
Y
-
L
K
K
F
I
Q
Q
V
------
Y
L
A
I
M
-
W
L
A
M
S
S
T
M
Y
N
P
I
I
Y
C
C
L
N
D
R
F
R
L
G
F
K
H
A
F
R
C
15
PsiBlast_PDB
80.13
27%
-130
- C7 -
2KS9
1
NK1R_HUMAN
A:
[6-322]
--------
P
V
D
S
D
L
S
---
P
N
I
S
T
N
T
S
E
P
N
------
Q
F
V
Q
P
-
A
W
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
RV
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
G
D
S
SDRY--------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------
Y
-
L
K
K
F
I
Q
Q
V
------
Y
L
A
I
M
-
W
L
A
M
S
S
T
M
Y
N
P
I
I
Y
C
C
L
N
D
R
F
R
L
G
F
K
H
A
F
R
C
19
PsiBlast_PDB
79.81
26%
-151
- C7 -
4XNV
15
P2RY1_HUMAN (first)
A:
[48-382]
------------------------------------------
F
Q
F
Y
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
---
F
L
Y
-
V
L
T
L
P
A
L
I
F
Y
Y
F
-
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
-
K
S
--
L
G
R
-
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
S
P
I
L
F
Y
S
G
T
G
V
R
K
--
N
K
T
I
T
---
C
----
Y
D
-
T
T
S
-
D
E
Y
L
R
S
Y
F
I
Y
S
M
C
T
T
V
A
M
F
C
V
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
I
Y
K
M
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPD
N
G
V
N
P
------------
G
T
D
F
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
DIVCPLC----
G
V
G
----------------------------------------
K
D
Q
F
E
E
V
EE
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
-------
40
HHSearch
77.91
28%
-142
- C7 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-493]
-------------------------------------------
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
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
TGTWDAY
G
-----------
S
K
G
----------------------------------------
H
Q
K
---------
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
-------
G
I
S
I
D
-
S
F
I
L
L
EI
I
K
Q
G
C
-
E
-
F
E
N
T
V
H
K
W
------
I
S
I
T
E
-
A
L
A
F
F
H
C
C
L
N
P
I
L
Y
A
F
L
G
A
K
F
K
T
S
A
Q
H
A
L
T
S
39
HHSearch
76.85
24%
-140
- C7 -
3UON
4
ACM2_HUMAN (first)
A:
[25-457]
----------------------------------------------
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
RT
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
TGTWDA--
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
-
41
HHSearch
76.58
23%
-140
* C7 *
2RH1
16
ADRB2_HUMAN (first)
A:
[39-477]
-------------------------------------------
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
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
TGTWDA--
Y
-----------
K
F
C
----------------------------------------
L
K
E
---------
H
K
A
L
K
T
L
G
I
I
M
G
T
F
T
L
C
W
L
P
F
F
I
-------
V
N
I
V
H
-
V
I
Q
D
N
--------
L
----
I
R
K
E
V
------
Y
I
L
L
N
-
W
I
G
Y
V
N
S
G
F
N
P
L
I
Y
C
-
R
S
P
D
F
R
I
A
F
Q
E
L
L
C
L
42
HHSearch
76.04
26%
-143
- C7 -
3RZE
5
ENLYS_BPT4 (first)
A:
[11-443]
-----------------------------------------------
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
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
TGTWDA--
Y
-----------
L
H
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
--------
C
-
C
---
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
50
HHSearch
74.53
27%
-144
- C7 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
-----------------------------------------------
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
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
GTWDA
Y
-----------
G
V
P
----------------------------------------
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
T
--------
C
---
H
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