@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 : OR2LD_HUMAN: (2016-01-13 )
MEKWNHTSNDFILLGLLPPNQTGIFLLCLIILIFFLASVGNSAMIHLIHVDPRLHTPMYFLLSQLSLMDLMYISTTVPKMAYNFLSGQKGISFLGCGVQSFFFLTMACSEGLLLTSMAYDRYLAICHSLYYPIRMSKMMCVKMIGGSWTLGSINSLAHTVFALHIPYCRSRAIDHFFCDVPAMLLLACTDTWVYEYMVFVSTSLFLLFPFIGITSSCGRVLFAVYHMHSKEGRKKAFTTISTHLTVVIFYYAPFVYTYLRPRNLRSPAEDKILAVFYTILTPMLNPIIYSLRNKEVLGAMRRVFGIFSFLKE
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-------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---------------------MEKWNHTSN
D
F
I
L
L
-------
G
----------------LLPPNQT
G
I
F
---------------
L
L
C
L
I
I
L
I
F
F
L
A
SVGN
S
A
M
I
H
L
I
HVDPRLH
T
---
P
M
Y
F
L
L
S
Q
L
S
L
M
D
L
M
Y
ISTT-
V
P
K
M
A
Y
N
F
LSGQKG
I
S
F
L
G
C
G
V
Q
S
F
F
F
L
T
M
A
C--SE
G
L
L
L
T
S
M
A
Y
D
R
Y
L
A
I
C
--
H
SLYY
P
I
R
M
S
K
M
M
C
V
K
MI-GGSWTLG
S
I
N
S
L
A
H
T
V
-
F
A
---------------------
L
H
I
---------------
P
--
Y
--
C
RSR
A
I
D
H
F
F
C
--
D
V
P
------
A
M
L
--
L
L
AC
T
---
D
T
W
--
V
Y
E
Y
M
-----
V
F
V
S
T
S
L
F
L
L
---
F
P
--------------
F
I
GIT
S
S
C
G
R
V
L
F
A
V
-----------
Y
H
------
M
HSK--------------------E--------GR
K
K
A
F
T
T
IS
T
H
L
T
-----
V
V
-----------
I
F
YY
A
P
F
V
Y
T
YLRPR--N---L---R---S---PA-E
D
--
K
I
L
A
V
F
Y
T
I
L
T
P
M
L
N
P
I
I
----
Y
S
LR
N
K
E
V
L
G
A
M
R
R
V
F
--
G
I
F
S
F
L
KE-------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
88.45
15%
-114
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-----------------------
M
N
G
T
E
G
P
N
F
Y
V
P
-------
F
SNKTGVVRSPFEAPQY
Y
L
A
E
P
W
Q
F
S
M
---------------
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
---
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
--
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
--
K
P
M
S
-
N
F
R
F
G
E
N
H
A
I
M
G
V
-
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
G
W
S
---------------------
R
Y
I
---------------
P
--
E
GM
Q
C
S
C
G
I
D
Y
Y
T
P
--
H
E
E
TN
N
E
S
F
V
I
Y
--
M
F
V
V
H
---
F
I
I
--
P
L
I
V
I
-----
F
F
C
Y
G
Q
L
V
F
T
---
V
K
--------------
E
A
A
A
S
A
T
T
Q
K
--------------------------
A
E
--------------------
K
--------
E
V
T
R
M
V
I
I
M
V
I
A
F
L
-----
I
C
-----------
W
L
P
Y
A
G
V
A
F
Y
I
F
T
H
Q
--
G
---
S
---
D
---
F
---
G
P
-
I
F
--
M
T
I
P
A
F
F
A
K
T
S
A
V
Y
N
P
V
I
----
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
--
C
C
G
K
N
P
S
T
TVSKTETS
Q
V
A
P
A------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
87.98
19%
-128
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[39-323]
------------------------------------------------------------------
K
Y
V
---------------
V
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
---
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
F
A
L
-
T
-
L
P
I
W
A
A
S
K
V
-
N
G
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
--
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
I
V
--
H
A
T
R
T
L
T
-
Q
K
R
H
L
V
K
F
V
C
-
L
G
C
W
G
L
S
M
N
L
S
L
P
F
F
L
-
F
----------------------
R
Q
-------------------
A
--
Y
H
P
-
N
N
S
S
P
V
C
--
Y
E
V
------
L
G
N
--
D
-------
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
RT
Q
VIQ
E
---
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
-----------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
86.90
16%
-132
- C3 -
2KS9
1
NK1R_HUMAN
A:
[34-324]
--------------------------------------------------------------------
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
GDSSDRYH
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
LYL
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
S
A
-------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
86.80
16%
-118
- C3 -
1U19
14
OPSD_BOVIN
A:
[41-328]
-------------------------------------------------------------------
S
M
---------------
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
---
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
--
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
--
K
P
M
S
N
F
R
-
F
G
E
N
H
A
I
M
G
V
-
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
-
G
----------------------
W
S
-------------------
R
--
Y
I
P
-
E
G
M
Q
C
S
C
--
G
I
D
------
Y
Y
T
--
P
---
H
---
E
E
T
--
N
N
E
S
F
-----
V
I
Y
M
F
V
V
H
F
I
---
I
P
--------------
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
-----------
K
E
------
A
A
A
Q
--------------------
Q
QESA
T
T
Q
K
A
E
K
E
V
T
R
M
V
I
I
M
V
I
-----
A
F
-----------
L
I
C
W
L
P
Y
A
G
V
A
F
Y
I
F
T
H
Q
---
G
S--
D
---
F
---
G
P
-
I
F
--
M
T
I
P
A
F
F
A
K
T
S
A
V
Y
N
P
V
I
----
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
--
C
C
G
K
N
P
L
G
-------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
86.71
17%
-97
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
----------------------
M
N
G
T
E
G
P
N
F
Y
V
P
F
-------
S
----------------
N
K
T
G
V
V
R
S
P
F
EAPQYYLAE
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
---
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
--
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
--
K
P
M
S
-
N
F
R
F
G
E
N
H
A
I
M
G
V
-
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
G
W
S
---------------------
R
Y
I
---------------
P
E
G
M
--
Q
C
S
C
G
I
D
Y
Y
T
P
--
H
---------------------
E
E
T
--
N
N
E
S
F
-----
V
I
Y
M
F
V
V
H
F
I
---
I
P
--------------
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
KEAAAQQQESA
T
T
------
Q
K
A
E
--------------------
K
--------
E
V
T
R
M
V
I
I
M
V
I
A
F
L
-----
I
C
-----------
W
L
P
Y
A
G
V
A
F
Y
I
F
T
H
Q
--
G
---
S
---
D
---
F
---
G
P
-
I
F
--
M
T
I
P
A
F
F
A
K
T
S
A
V
Y
N
P
V
I
----
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
G
D
D
EA
S
T
T
V
S
K
TETSQVAPA--------------------------------------------------------------------------------------------------------------------------
46
Fugue
86.09
18%
-107
- 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
KNKTITCYDTTSDEY
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
P
EDGDPDNGVNPGTD
F
K
D
I
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
-------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
83.62
15%
-134
- C3 -
2Z73
5
OPSD_TODPA
A:
[34-333]
------------------------------------------------------------------
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
LEW
V
---
T
P
-
Y
A
--
A
Q
L
P
V
M
F
A
K
A
S
A
I
H
N
P
M
I
----
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
F
--
P
W
V
L
T
C
C
Q
-------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
79.38
14%
-114
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
--------------------------------------------------------------
D
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
T
E
G
Y
Y
-----
T
I
GIGHLLTKSPS
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
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
TGTWDAYKFCL
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
QDNLIR
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
PLIYCRS
P
D
F
R
I
A
F
Q
E
L
L
CL-----
48
Fugue
77.45
16%
-122
- 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
DD
R
Y
I
C
D
R
F
Y
PN
D
L
--
W
--
V
V
V
F
Q
F
Q
H
I
M
V
GL
I
L
P
------
G
I
V
--
I
L
S
C
Y
---
C
I
I
--
I
S
K
L
S
-----
H
S
G
S
N
I
F
E
M
L
---
R
I
--------------
D
E
G
L
R
L
K
I
Y
K
D
T
E
G
Y
-----------
Y
T
I
GIGHL
L
T
K
S
--------------------
P
--------
S
L
N
A
A
K
S
E
L
D
K
A
I
G
RNTNG
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
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
2
PsiBlast_PDB
75.21
24%
-142
- C3 -
4BUO
9
NTR1_RAT
A:
[17-205]
-----------------------------------------------------------------
S
K
V
L
---------------
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
S
V
T
L
F
T
L
A
R
K
K
---
S
L
Q
S
T
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
L
A
-
M
P
V
E
L
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
C
--
H
P
F
K
A
K
T
L
M
S
R
S
R
T
K
K
F
I
-
S
A
I
W
L
A
S
A
L
-------------------------------
L
A
I
---------------
P
--
M
--
L
F
T
M
G
L
Q
N
L
S
G
--
D
G
T
------
H
P
G
--
G
L
V
C
T
PIV
D
T
A
--
T
L
K
V
V
-----
I
Q
V
N
T
F
M
S
F
L
---
F
P
--------------
M
L
V
A
S
I
L
N
T
V
I
A
N
K
L
-----------
T
V
------
M
V
H
Q
--------------------
P
--------
G
R
V
Q
A
L
R
R
G
V
L
V
L
R
-----
A
V
-----------
V
I
A
F
V
V
C
W
L
P
Y
H
V
R
R
--
L
---
M
---
F
---
C
---
Y
I
-
S
D
--
E
Q
W
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
----
N
A
L
V
Y
V
S
A
A
I
N
P
I
L
Y
N
--
L
V
S
A
N
F
R
Q
-------------------------------------------------------------------------------------------------------------------------------------------
52
Fugue
73.36
17%
-129
- C1 -
3THI
1
THI1_PANTH
A:
[1-362]
I
T
L
K
V
A
I
YPYVPD
P
A
R
F
Q
A
A
V
L
D
Q
W
Q
R
Q
E
P
G
V
K
L
E
F
T
D
W
D
SY
S
----------------
A
D
P
P
D
D
L
D
V
F
---------------
V
L
D
S
I
F
L
S
H
F
V
D
A
------------------------
G
Y
L
L
P
F
G
S
Q
D
I
D
Q
A
E
D
V
-
L
P
F
A
L
Q
G
A
K
R
N
G
E
V
Y
G
L
P
Q
I
L
C
T
N
L
L
F
Y
R
K
G
---
D
L
K
I
G
Q
V
D
N
I
Y
E
L
Y
K
K
I
G
TS
H
S
E
Q
I
P
P
P
Q
N
K
G
L
L
I
N
M
A
-
G
G
T
T
K
A
S
M
Y
L
E
A
L
I
D
V
-
T
G
---------------------
Q
Y
T
---------------
E
--
Y
--
D
L
L
P
P
L
D
P
L
N
D
--
K
V
I
------
R
G
L
R
L
L
I
N
M
A
---
G
E
K
--
P
S
Q
Y
V
PEDGD
A
Y
V
R
A
S
W
F
A
Q
GSG
R
A
--------------
F
I
G
Y
S
E
S
M
M
R
M
G
D
Y
A
-----------
E
Q
------
V
R
F
K
--------------------
P
--------
I
S
S
S
A
G
Q
D
I
P
L
F
Y
S
-----
D
V
-----------
V
S
V
N
S
K
T
A
H
P
E
L
A
K
K
--
L
---
A
---
N
---
V
---
M
A
-
S
A
--
D
T
V
E
Q
A
L
R
P
Q
A
D
G
Q
Y
P
Q
Y
----
L
L
P
A
R
H
Q
V
Y
E
A
L
M
Q
D
Y
--
P
I
Y
S
E
L
A
Q
I
V
N
KPSNR
V
F
R
L
G
PE
V
R
T
W
L
K
D
A
K
Q
V
LPEALG-----------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
71.04
24%
-133
- C3 -
4GRV
2
ENLYS_BPT4 (first)
A:
[31-222]
-----------------------------------------------------------------
S
K
V
L
---------------
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
S
V
T
L
F
T
L
A
R
K
----
S
LQ
S
T
V
H
Y
H
L
G
S
L
A
L
S
D
L
L
I
L
L
L
A
-
M
P
V
E
L
Y
N
F
I
W
V
H
H
P
W
A
F
G
D
A
G
C
R
G
Y
Y
F
L
R
D
A
C
T
Y
A
T
A
L
N
V
A
S
L
S
V
A
R
Y
L
A
I
C
--
H
P
F
K
A
K
T
L
M
S
R
S
R
T
K
K
F
I
-
S
A
I
W
L
A
S
A
L
-------------------------------
L
A
I
---------------
P
--
M
--
L
F
T
M
G
L
Q
N
R
S
A
--
D
G
T
------
H
P
G
--
G
L
V
C
T
PIV
D
T
A
--
T
V
K
V
V
-----
I
Q
V
N
T
F
M
S
F
L
---
F
P
--------------
M
L
V
I
S
I
L
N
T
V
I
A
N
K
L
-----------
T
V
------
M
V
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
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
-------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
68.43
18%
-123
- C3 -
2RH1
6
ADRB2_HUMAN (first)
A:
[36-235]
--------------------------------------------------------------
D
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
-----------
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
-------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
66.85
26%
-123
- C3 -
3OE6
5
CXCR4_HUMAN (first)
A:
[45-197]
---------------------------------------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
66.49
26%
-138
- C3 -
3OE9
1
CXCR4_HUMAN (first)
A:
[45-197]
---------------------------------------------------------------
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
N
I
F
E
-----------
M
L
------
R
I
D
E
--------------------
G
--------
L
R
L
K
I
Y
K
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
-------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
66.20
22%
-134
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[48-238]
------------------------------------------------------------------
K
I
F
---------------
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
---
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
-
I
T
-
L
P
F
W
A
V
D
A
V
-
A
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
--
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
--
H
A
T
N
S
Q
R
P
R
K
L
L
A
E
K
V
V
Y
-
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
-
F
----------------------
A
N
-------------------
V
----
S
E
A
D
D
R
Y
I
C
--
D
R
F
------
Y
P
N
-----------
D
L
--
W
V
V
V
F
-----
Q
F
Q
H
I
M
V
G
L
I
---
L
P
--------------
G
I
V
I
L
S
C
Y
C
I
I
I
S
K
L
-----------
S
H
------
S
G
S
N
--------------------
I
--------
F
E
M
L
R
I
D
E
G
L
R
L
K
I
-----
Y
K
-----------
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
--
K
---
S
---
P
---
S
---
L
N
-
A
A
--
K
S
E
L
D
K
A
I
G
R
N
T
N
G
V
I
T
K
----
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
--
G
I
L
R
N
A
K
L
-------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
65.83
20%
-138
- C3 -
3EML
8
ENLYS_BPT4
A:
[23-221]
--------------------------------------------------------------------
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
C
L
---
F
E
D
VV
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
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
-------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
63.63
18%
-136
- C3 -
3UON
2
ACM2_HUMAN (first)
A:
[25-215]
--------------------------------------------------------------------
F
---------------
I
V
L
V
A
G
S
L
S
L
V
T
I
I
G
N
I
L
V
M
V
S
I
K
V
N
R
H
L
Q
T
---
V
N
N
Y
F
L
F
S
L
A
C
A
D
L
I
I
G
V
F
S
-
M
N
L
Y
T
L
Y
T
V
I
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
--
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
--
K
P
L
T
Y
P
V
K
R
T
T
K
M
A
G
M
M
I
-
A
A
A
W
V
L
S
F
I
L
W
A
P
A
I
L
-
F
----------------------
W
Q
----------------
F
--
I
--
V
G
V
R
T
V
E
D
G
E
C
--
Y
I
Q
------
F
F
----------------
S
N
A
A
V
-----
T
F
G
T
A
I
A
A
F
Y
---
L
P
--------------
V
I
I
M
T
V
L
Y
W
H
I
S
R
A
S
-----------
K
S
------
R
I
N
I
--------------------
F
--------
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
-----
K
D
-----------
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
--
S
---
P
---
S
---
L
---
N
A
-
A
K
--
S
E
L
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
----
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
--
I
L
R
N
A
K
L
K
-------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
63.44
26%
-122
- C3 -
3OE0
1
CXCR4_HUMAN (first)
A:
[45-197]
---------------------------------------------------------------
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
----
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
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
-------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
63.40
26%
-131
- C3 -
3OE8
1
CXCR4_HUMAN (first)
A:
[45-197]
---------------------------------------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------------------------------