@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 : OPRM_HUMAN: (2016-01-12 )
MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
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...-----....340.......350...--....360.......370.......380-------.........390.......400---------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MDSSAAPTNASNC
T
D
A
L
AYSSCSPAPSPG
S
W
V
N
L
S
HLDGNLSDPCGPNRTDLGGRDSLCPPTGSP------
S
M
I
T
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
YTKMKT
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
TS-TLP
F
Q
S
V
N
Y
L
-MGT-W
P
F
G
T
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
VCHPVKALDF---RTPRNA
K
I
I
N
V
C
N
W
I
L
S
SAIGL
P
V
M
F
M
A
TTKY---R-Q-G-
S
I
D
C
T
L
T
FS--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
MLSG-----------------------------------------------------------------------------------------------------------------------------------------------------------S------------------------------------------------------------------------------------------------------------------------------------------------------------K
E
K
D
R
N
L
R
R
I
T
-
R
M
V
L
V
V
V
A
V
F
I
V
CWT
P
I
H
I
Y
V
I
I
K
------
A
L
V
TI--------P-------ET
T
-----
F
Q
T
-----------
V
S
W
H
F
C
I
A
LGY
T
N
S
C
L
N
P
-----
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
E
FCIP--TSSNIEQQN
S
T
R
IRQNTRDHPSTAN---------TVDRTN
H
Q
L
E
NLEAETAPLP-----------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
90.37
97%
-161
- C3 -
5C1M
7
?
A:
[1-296]
-----------------------------------------------------
G
S
H
S
L
-
P
Q
T
G
S
P
------
S
M
V
T
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
84.91
71%
-163
- C3 -
4RWD
7
C562_ECOLX (first)
A:
[116-406]
---------------------------------------------------------------
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
84.90
71%
-163
- C3 -
4RWD
6
C562_ECOLX (first)
B:
[116-405]
---------------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
83.88
70%
-164
- C3 -
4N6H
23
C562_ECOLX (first)
A:
[112-409]
--------------------------------------------------------------
G
S
P
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
R
K
--
P
C
G
--------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
82.98
71%
-164
- C3 -
4RWA
1
C562_ECOLX (first)
B:
[116-403]
---------------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
82.96
71%
-164
- C3 -
4RWA
2
C562_ECOLX (first)
A:
[116-406]
---------------------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
79.78
60%
-163
- C3 -
4EA3
3
C562_ECOLX (first)
B:
[126-407]
----------------------------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
78.54
60%
-158
- C3 -
4EA3
3
C562_ECOLX (first)
A:
[126-405]
----------------------------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
73.47
26%
-144
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[43-498]
----------------------------------------------------------------
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
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
E
V
L
F
Q
--------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
72.14
27%
-145
- C3 -
3RZE
5
ENLYS_BPT4 (first)
A:
[9-443]
----------------------------------------------------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
71.84
26%
-143
- C3 -
3UON
4
ACM2_HUMAN (first)
A:
[23-457]
---------------------------------------------------------------------------
V
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
70.93
24%
-158
- C3 -
4MBS
8
CCR5_HUMAN (first)
A:
[28-358]
-----------------------------------------------------------------------
K
Q
I
A
A
R
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
PEDGDPDNGVNPGTDFKDIPDDW
V
C
P
L
C
G
VGKDQ
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
FQEFF
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
50
Fugue
70.06
22%
-104
- C3 -
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
HSGSN
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
NGVIT
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
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
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
GSK
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
37
HHSearch
69.64
25%
-151
* C3 *
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
69.53
28%
-134
- C3 -
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
66.13
27%
-135
- C3 -
4XNW
2
RUBR_CLOPA
A:
[55-381]
--------------------------------------------------------------------------------
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
PEDGDPDNGVNPGTDFKDIPDDW
V
C
P
L
C
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------
V
GKDQ
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
PAM
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
66.07
22%
-140
- C3 -
3EML
13
ENLYS_BPT4
A:
[20-472]
--------------------------------------------------------------------------
G
S
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
G
E
G
Q
V
AC
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
------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
66.01
92%
-158
- C3 -
4DKL
12
ENLYS_BPT4 (first)
A:
[14-225]
------------------------------------------------------------------------
M
V
T
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
N
I
F
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------
M
------------------------------------------------------------------------------------------------------------------------------------------------------------
L
R
I
D
E
G
L
R
L
K
I
-
Y
K
N
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
E
A
A
V
N
L
A
K
S
-----------------------------------------------------------------------------------------------------
28
HHSearch
65.93
25%
-139
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[37-477]
------------------------------------------------------------------------
E
V
W
V
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
V
P
F
G
A
A
H
I
L
-
M
K
M
-
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
A
R
V
I
I
L
M
V
W
I
V
S
G
L
T
S
F
L
P
I
Q
M
H
W
Y
R
A
---
T
H
Q
-
E
-
A
I
N
C
Y
A
E
E
T
--
C
-
C
D
F
-
F
T
N
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
V
Y
-
S
R
----
V
--
F
Q
E
A
-----
K
-----
R
----------------------------------
Q
L
N
I
F
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
65.87
27%
-132
- C3 -
4XNV
15
P2RY1_HUMAN
A:
[55-381]
--------------------------------------------------------------------------------
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
GKDQ
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
PAM
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------