@TOME V2.3
(Nov 2016)
Ref.
-
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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 : NPBW1_HUMAN: (2016-01-11 )
MDNASFSEPWPANASGPDPALSCSNASTLAPLPAPLAVAVPVVYAVICAVGLAGNSAVLYVLLRAPRMKTVTNLFILNLAIADELFTLVLPINIADFLLRQWPFGELMCKLIVAIDQYNTFSSLYFLTVMSADRYLVVLATAESRRVAGRTYSAARAVSLAVWGIVTLVVLPFAVFARLDDEQGRRQCVLVFPQPEAFWWRASRLYTLVLGFAIPVSTICVLYTTLLCRLHAMRLDSHAKALERAKKRVTFLVVAILAVCLLCWTPYHLSTVVALTTDLPQTPLVIAISYFITSLSYANSCLNPFLYAFLDASFRRNLRQLITCRAAA
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)
MDNASFSEPWPANASGPDPALSCSNASTLAPLPA
P
L
A
V
A
V
----------
P
V
V
Y
A
V
I
C
A
VGLAGN
S
A
V
L
Y
V
L
LRAPR
M
K
T
V
T
N
L
F
I
L
N
L
A
I
A
D
E
L
F
T
L
-
V
-LP
I
N
I
A
D
F
L
L
-R-Q-W
P
F
G
E
L
M
C
K
L
I
V
A
IDQYNT
F
S
S
L
Y
F
L
T
VMSAD
R
Y
L
V
V
L
A
TAESRRVA-GR-TYS
A
A
R
A
V
S
L
A
V
W
G
I
V
T
L
V
V
L
P
F
A
V
F
A
R-LD-D---EQG
R
R
Q
C
V
L
V
FPQP
E
-
A
-
F
W
W
R
A
S
R
L
Y
T
L
---
V
L
GFA
I
P
V
S
T
I
C
V
L
Y
T
T
L
----------------------------------------
L
-------------------------------------------
C
R
L
-
H
A
M
R
---------------------------------------
L
D
S
-------------
H
----------------------------------------------------------------------------------------------------------------------------------------------------------
A
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
L
E
R
A
K
K
-
R
V
T
F
L
V
-----
V
A
I
L
A
V
C
L
L
CWTP
Y
H
L
-------
S
T
V
V
A
L
TTDL--------P---Q----T
P
L
V
---------
I
----
A
I
------
S
Y
F
I
T
-
S
-
L
S
Y
A
N
S
C
L
N
P
F
-----
L
Y
A
F
L
D
A
S
F
R
R
N
L
R
Q
L
I
T
CRAAA---------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
97.46
39%
-149
- C8 -
4N6H
23
C562_ECOLX (first)
A:
[118-410]
------------------------
S
A
S
S
L
A
-----
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
P
C
---------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
97.38
38%
-149
- C8 -
4RWD
6
C562_ECOLX (first)
B:
[111-405]
--------------------
L
G
A
R
S
A
S
S
L
A
-----
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
96.74
38%
-150
- C8 -
4RWD
7
C562_ECOLX (first)
A:
[111-406]
--------------------
L
G
A
R
S
A
S
S
L
A
-----
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
95.40
38%
-148
- C8 -
4EA3
3
C562_ECOLX (first)
B:
[116-407]
-------------------------------
L
P
L
G
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
95.27
38%
-150
- C8 -
4RWA
1
C562_ECOLX (first)
B:
[111-403]
--------------------
L
G
A
R
S
A
S
S
L
A
-----
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
95.20
38%
-151
- C8 -
4RWA
2
C562_ECOLX (first)
A:
[111-406]
--------------------
L
G
A
R
S
A
S
S
L
A
-----
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
93.79
38%
-147
- C8 -
4EA3
3
C562_ECOLX (first)
A:
[121-405]
--------------------------------
P
L
G
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
91.17
36%
-155
- C8 -
5C1M
7
?
A:
[17-294]
------------------------------------
A
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
84.04
26%
-137
- C8 -
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
TVCG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLCGVG
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
83.45
24%
-154
- C8 -
4MBS
8
CCR5_HUMAN (first)
A:
[35-361]
---------------------------------------
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
PEDGDPDNGVNPGTDFKDIPDDWV
C
P
L
-
C
G
V
G
---------------------------------------
K
D
Q
-------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
43
HHSearch
80.95
23%
-131
- C8 -
2RH1
16
ADRB2_HUMAN (first)
A:
[41-477]
-------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
80.86
23%
-137
- C8 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
----------------------------------
S
F
K
C
A
L
T
K
T
GF
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
PEDGDPDNGVNPGTDFKDI
V
-------------------------------------------
C
P
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
HHSearch
80.80
23%
-139
- C8 -
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
41
HHSearch
80.79
26%
-133
- C8 -
3ODU
6
CXCR4_HUMAN (first)
A:
[44-495]
--------------------------------
A
N
F
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
--------
E
I
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
51
HHSearch
79.11
22%
-126
- C8 -
2Z73
5
OPSD_TODPA
A:
[31-332]
---------------------------------
D
A
V
Y
Y
S
L
----------
G
I
F
I
G
I
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
C
F
L
-
K
-
K
-
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
S
--
K
-
K
M
-
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
I
F
G
W
G
-
A
Y
-
T
L
--
E
G
V
L
C
N
C
S
F
D
Y
I
S
R
D
---
S
T
T
R
S
N
I
L
C
M
F
---
I
L
G
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
I
----------------------------------------
V
-------------------------------------------
M
S
V
-
S
N
H
E
---------------------------------------
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
----------------------------------------------------------------------------------------------------------------------------------------------------------
A
------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
A
G
A
N
A
E
M
-
R
L
A
K
I
S
-----
I
V
I
V
S
Q
F
L
L
S
W
S
P
Y
A
V
-------
V
A
L
L
A
Q
F
G
P
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
48
HHSearch
78.06
22%
-141
- C8 -
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
40
HHSearch
77.85
24%
-136
- C8 -
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
-------------------------------------
V
F
I
----------
V
L
V
A
G
S
L
S
L
V
T
I
I
G
N
I
L
V
M
V
S
I
K
V
N
R
H
L
Q
T
V
N
N
Y
F
L
F
S
L
A
C
A
D
L
I
I
G
V
F
S
-
M
N
L
Y
T
L
Y
T
V
I
-
G
-
Y
-
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
L
T
Y
P
--
V
-
K
R
-
T
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
P
A
I
L
F
W
Q
-
F
I
-
V
GVR
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
TGTWD
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
63
Fugue
77.83
23%
-129
- C8 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
---------------------
P
C
F
R
E
E
N
----
A
N
F
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
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
AKLK
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
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
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
10
PsiBlast_PDB
75.82
30%
-129
- C8 -
2LNL
-
CXCR1_HUMAN
A:
[42-320]
---------------------------------------
V
----------
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
F
A
L
-
T
-
L
P
I
W
A
A
S
-
K
V
-
N
-
G
-
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
---
L
A
I
V
H
A
T
R
T
L
-
T
Q
-
K
R
H
L
V
K
F
V
C
L
G
C
W
G
L
S
M
N
L
S
L
P
F
F
L
F
R
Q
A
Y
H
-
P
---
N
N
S
S
P
V
C
Y
E
V
L
G
N
D
T
-
A
-
K
W
R
M
V
L
R
I
L
P
H
---
T
F
G
F
I
V
P
------
L
F
V
M
L
----------------------------------------
F
-------------------------------------------
C
---
Y
G
F
T
---------------------------------------
L
R
T
-------------
L
----------------------------------------------------------------------------------------------------------------------------------------------------------
F
------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
H
M
G
Q
K
H
-
R
A
M
R
V
I
-----
F
A
V
V
L
I
F
L
L
C
W
L
P
Y
N
L
----------
V
L
L
A
D
T
L
--------
M
---
R
----
T
Q
V
I
QE
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------
44
HHSearch
75.75
22%
-134
* C8 *
2KS9
1
NK1R_HUMAN
A:
[33-324]
-------------------------------------
V
L
W
----------
A
A
A
Y
T
V
I
V
V
T
S
V
V
G
N
V
V
V
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
L
V
N
L
A
F
A
E
A
S
M
A
A
F
N
-
T
V
V
N
F
T
Y
A
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
P
G
-------------
D
SSDR------------------------------------------------------------------------------------------------------------------------------------------------------
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
---
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
C
P
F
I
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