@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 : OPRK_HUMAN: (2016-01-12 )
MDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
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--------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MDSP
I
Q
I
FRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISP
A
I
P
V
I
I
T
--
A
V
Y
S
V
V
F
V
V
G
L
VGN
S
L
V
M
F
V
I
I
R
Y
TKMKT
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
V
T
T-TMPF
Q
S
T
V
Y
L
-MNS-W
P
F
G
D
V
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
VCHPVKALDF---RTP
L
K
A
K
I
I
N
I
C
I
W
L
L
SSSVG
I
S
A
I
V
L-GGTKVRE-D
V
D
V
I
E
C
S
LQFPD---DD
Y
S
W
W
D
L
F
M
K
I
C
V
F
I
F
A
F
V
I
P
V
L
I
I
I
V
C
Y
T
L
----
M
---
I
L
R
L
K
-----
S
-----------------------------------
V
R
LLSG------------------------------------------------------------------------------------------------------------------------------------------------------------S--------------RE-----K
D
R
N
L
R
R
I
T
-
R
L
V
L
V
V
V
A
V
F
V
V
C
WT
P
---
I
H
I
F
I
L
V
E
------
A
LGST--------S-------H
S
--
T
A
-
A
L--------
S
S
Y
Y
F
C
I
A
LGYTNSSL
N
P
-----
I
L
Y
A
F
L
D
E
N
F
K
R
C
F
R
DF
C
F
P
------------
L
K
M
R
M
E
R
Q
S
T
S
R
V
R
N
TVQDP
A
Y
L
R
D
IDGMNKPV----------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
97.15
68%
-163
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[118-406]
------------------------------------------------------
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
96.51
68%
-161
- C2 -
4RWD
6
C562_ECOLX (first)
B:
[118-405]
------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
96.24
66%
-156
- C2 -
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
----------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
96.13
68%
-162
- C2 -
4RWD
7
C562_ECOLX (first)
A:
[118-406]
------------------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
95.98
68%
-163
- C2 -
4RWA
1
C562_ECOLX (first)
B:
[118-403]
------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
91.36
69%
-165
- C2 -
5C1M
7
?
A:
[7-296]
--------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
90.79
61%
-160
- C2 -
4EA3
3
C562_ECOLX (first)
B:
[123-407]
--------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
88.40
61%
-155
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[123-405]
--------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
82.02
28%
-140
- C2 -
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
TGTWD--
A
--------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
80.05
25%
-138
- C2 -
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
TGTWD--
A
--------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
78.72
25%
-147
* C2 *
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
77.81
98%
-166
- C2 -
4DJH
5
ENLYS_BPT4 (first)
B:
[18-225]
------------------------------------------------------
S
P
A
I
P
V
I
I
T
--
A
V
Y
S
V
V
F
V
V
G
L
V
G
N
S
L
V
M
F
V
I
I
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
V
T
T
-
T
M
P
F
Q
S
T
V
Y
L
-
M
N
S
-
W
P
F
G
D
V
L
C
K
I
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
L
K
A
K
I
I
N
I
C
I
W
L
L
S
S
S
V
G
I
S
A
I
V
L
-
G
G
T
K
V
R
E
-
D
V
D
V
I
E
C
S
L
Q
F
P
D
---
D
D
Y
S
W
W
D
L
F
M
K
I
C
V
F
I
F
A
F
V
I
P
V
L
I
I
I
V
C
Y
T
L
----
M
---
I
L
R
L
K
-----
S
-----------------------------------
V
R
L
L
S
G
------------------------------------------------------------------------------------------------------------------------------------------------------------
N
--------------
I
F
-----
E
M
L
R
I
D
E
G
L
-
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
---
G
H
L
L
T
K
S
P
------
S
L
N
A
A
--------
K
-------
S
E
--
L
D
-
K
A
--------
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
-----
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
------------
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
----------------------------------------------------------------------------------------------------------------
26
HHSearch
77.51
27%
-142
- C2 -
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
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
77.24
26%
-153
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-495]
--------------------------------------------------------
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
TGTWDA
Y
--------------
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
----------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
76.82
98%
-166
- C2 -
4DJH
1
ENLYS_BPT4 (first)
A:
[18-225]
------------------------------------------------------
S
P
A
I
P
V
I
I
T
--
A
V
Y
S
V
V
F
V
V
G
L
V
G
N
S
L
V
M
F
V
I
I
R
Y
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
V
T
T
-
T
M
P
F
Q
S
T
V
Y
L
-
M
N
S
-
W
P
F
G
D
V
L
C
K
I
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
L
K
A
K
I
I
N
I
C
I
W
L
L
S
S
S
V
G
I
S
A
I
V
L
-
G
G
T
K
V
R
E
-
D
V
D
V
I
E
C
S
L
Q
F
P
D
---
D
D
Y
S
W
W
D
L
F
M
K
I
C
V
F
I
F
A
F
V
I
P
V
L
I
I
I
V
C
Y
T
L
----
M
---
I
L
R
L
K
-----
S
-----------------------------------
V
R
L
L
S
G
------------------------------------------------------------------------------------------------------------------------------------------------------------
N
--------------
I
F
-----
E
M
L
R
I
D
E
G
L
-
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
---
G
H
L
L
T
K
S
P
------
S
L
N
A
A
--------
K
-------
S
E
--
L
D
-
K
A
--------
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
-----
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
------------
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
----------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
76.51
26%
-155
- C2 -
4MBS
8
CCR5_HUMAN (first)
A:
[38-359]
------------------------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
76.19
28%
-147
- C2 -
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
PEDGDPDNGVNPGTDFKDIV
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
74.63
23%
-134
- C2 -
3EML
13
ENLYS_BPT4
A:
[23-472]
------------------------------------------------------------
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
A
CLF
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
--------------------------------------------------------------------------------------------------------------------------------------------
51
Fugue
72.87
22%
-129
- C2 -
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
-------
N
G
VI
T
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
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
11
PsiBlast_PDB
72.56
27%
-140
- C2 -
4XNW
2
RUBR_CLOPA
A:
[55-382]
-----------------------------------------------------------------
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------