@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 : O10R2_HUMAN: (2016-01-11 )
MPQILIFTYLNMFYFFPPLQILAENLTMVTEFLLLGFSSLGEIQLALFVVFLFLYLVILSGNVTIISVIHLDKSLHTPMYFFLGILSTSETFYTFVILPKMLINLLSVARTISFNCCALQMFFFLGFAITNCLLLGVMGYDRYAAICHPLHYPTLMSWQVCGKLAAACAIGGFLASLTVVNLVFSLPFCSANKVNHYFCDISAVILLACTNTDVNEFVIFICGVLVLVVPFLFICVSYLCILRTILKIPSAEGRRKAFSTCASHLSVVIVHYGCASFIYLRPTANYVSNKDRLVTVTYTIVTPLLNPMVYSLRNKDVQLAIRKVLGKKGSLKLYN
Atome Classification :
(20 SA)
---.........10........20........--30........40--.......------.50.......-.60.-.......70........80........90......-..100....-...110..---.....120.......130....--.--..140.......150...---....160...-....170.......180.....-----..190.......200.......210------...--......220.......230....------...240.......250----------------------------------------------------------------------------------------------------------------------------------------------------------------.-------------------------------------------------------------------------------------------------------------------------------------------------------------------..-......260.......270.......280....------------.-----------.---.---290.-------.......300...---....310.......320...-----------....330...-----------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---MP
Q
I
L
I
F
T
Y
L
N
M
F
YFFP
P
L
Q
I
L
A
E
N
L
T
M
V
--
T
E
F
L
L
L
G
F
S
SL
G
--
E
I
Q
L
A
L
F
------
V
V
F
L
F
L
Y
L
V
I
-LSGN-
V
T
I
I
S
V
I
H
LDKSLH
T
P
M
Y
F
F
L
G
I
LSTSE
T
F
Y
T
F
V
I
-
L
P
K
M
L
I
N
L
L
-
S
V
A
R
T
ISF---
N
C
C
A
L
Q
M
F
F
F
L
G
F
A
I
T
N
C
L
L
L
G
--V--MG
Y
D
R
Y
A
A
I
CHPLH
Y
P
T
L
---
M
S
W
Q
V
C
G
K
L
A
-
A
A
C
A
I
G
G
F
L
A
S
L
T
V
V
N
L
V
FSLP-----FCSANKV
N
H
Y
F
C
D
I
S
A
V
I
L
L
A
CT--------NT
D
--
V
N
E
F
V
I
F
I
C
G
V
L
V
L
V
V
P
F
L
F
I
C
V
------
S
Y
L
C
I
L
R
T
I
L
KIPS------------------------------------------------------------------------------------------------------------------------------------------------------------------A-------------------------------------------------------------------------------------------------------------------------------------------------------------------E
G
-
R
R
K
A
F
S
T
C
A
S
H
L
S
V
V
I
V
HYGC
A
S
F
I
Y
L
RPTANY------------V-----------S---N---K-
D
R
-------
L
V
T
V
T
Y
T
I
V
T
P
L
L
---
N
P
M
V
Y
S
LRNK
D
V
Q
L
A
I
R
K
V
L-----------GKKGSLKLYN-----------
27
HHSearch
89.98
17%
-162
- C3 -
3EML
13
ENLYS_BPT4
A:
[21-472]
--------------------------------------------------
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
---
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
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
DCSH--------
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
--------------
41
Fugue
86.64
17%
-158
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
--
A
P
Q
Y
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
G
---
M
Q
C
S
C
G
I
DYYTPHE
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
DFGPIFM
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
T
V
SKTETS
Q
V
A
P
A
22
HHSearch
86.27
18%
-155
- C3 -
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
-----
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
TGTWDAYPP-
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
CI---------
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
--------------------
25
HHSearch
84.68
17%
-158
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[39-477]
-------------------------------------------------
W
V
V
G
M
G
------
I
V
M
S
L
I
V
L
A
I
-
V
F
G
N
-
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
-
M
K
M
W
T
F
G
N
---
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
--
V
--
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
A
R
V
I
I
-
L
M
V
W
I
V
S
G
L
T
S
F
L
P
I
Q
M
H
W
Y
R
A
-----
T
H
----
Q
E
A
I
N
C
Y
A
E
E
----
T
C
C
--------
D
F
F
--
T
N
Q
A
Y
A
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
------
V
Y
S
R
V
F
Q
E
A
K
R
Q
L
N
------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYKFC--
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
LI---------
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
-------------------
32
HHSearch
84.40
19%
-167
- 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
GTWDAYGVP
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
CHV--------
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
-------------------
30
HHSearch
83.41
17%
-161
- C3 -
2Z73
5
OPSD_TODPA
A:
[31-333]
---------------------------------------------
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
EWV--------
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
F
D
-----------
42
Fugue
81.13
16%
-126
- 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
E
A
P
Q
Y
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
GMQC
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
Q
-
E
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
QGSDF
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
CGKNPLGDDE
A
S
T
T
V
S
K
T
E
T
SQVAPA-----
29
HHSearch
80.51
16%
-156
- C3 -
2KS9
1
NK1R_HUMAN
A:
[31-325]
-------------------------------------------------
Q
I
V
L
W
A
------
A
A
Y
T
V
I
V
V
T
S
-
V
V
G
N
-
V
V
V
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
L
V
N
L
A
F
A
E
A
S
M
A
A
F
N
-
T
V
V
N
F
T
Y
A
V
-
H
N
E
W
Y
Y
G
L
---
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
--
A
--
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
R
L
-----
S
A
T
A
T
K
V
V
I
-
C
V
I
W
V
L
A
L
L
L
A
F
P
Q
G
Y
Y
S
T
T
E
T
----------
M
P
S
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
PGDSSDRYH
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
YLK
K
FI
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
G
D
-----------
2
PsiBlast_PDB
78.67
21%
-135
- C3 -
4GRV
3
ENLYS_BPT4 (first)
A:
[20-320]
------------------------------------------
N
S
D
L
--
D
V
N
T
D
I
Y
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
L
Q
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
-----------
23
HHSearch
75.23
15%
-158
- 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
TGTWDAYLHM--
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
CC---------
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
-------------------
21
HHSearch
73.48
16%
-155
- 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
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
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
-----------
31
HHSearch
73.24
16%
-150
- C3 -
3V2Y
1
ENLYS_BPT4
A:
[59-495]
--------------------------------------------
K
E
--
N
S
I
K
L
T
S
------
V
V
F
I
L
I
C
C
F
I
-
I
L
E
N
-
I
F
V
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
V
A
Y
-
T
A
N
L
L
L
S
G
A
--
T
T
Y
K
L
T
P
---
A
Q
W
F
L
R
E
G
S
M
F
V
A
L
S
A
S
V
F
S
L
L
--
A
--
I
A
I
E
R
Y
I
T
M
L
K
-----------
N
N
F
R
L
F
L
L
I
-
S
A
C
W
V
I
S
L
I
L
G
G
L
P
I
M
G
W
N
C
I
------------
S
A
L
S
S
C
S
T
V
L
P
L
-------------------
Y
H
K
H
Y
I
L
F
C
T
T
V
F
T
L
L
L
L
S
I
V
I
------
L
Y
C
R
I
Y
S
L
V
R
T
R
N
I
F
E
M
L
R
IDEGLRL
K
I
Y
K
D
TE
G
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
TGTWDAYA
S
R
-
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
E
-
N
V
A
L
L
K
T
V
I
I
V
L
S
V
F
I
A
C
W
A
P
L
F
I
L
L
L
L
D
V
G
C
K
------------
V
KT---------
C
D
I
-
L
---
F
-
R
A
-------
E
Y
F
L
V
L
A
V
L
N
S
G
T
---
N
P
I
I
Y
T
L
T
N
K
E
M
R
R
A
F
I
R
I
M
-----------
G
R
P
L
-----------------
28
HHSearch
71.94
14%
-126
- C3 -
1U19
14
OPSD_BOVIN
A:
[37-329]
---------------------------------------------
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
K
E
A
A
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
QQESA
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
GSD---------
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
-----------
33
HHSearch
65.60
15%
-134
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[36-323]
---------------------------------------------
T
--
L
N
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
R
------------
T
QVIQE
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
-----------------
46
Fugue
64.61
15%
-165
- C3 -
4TRQ
-
?
B:
[1-286]
GKQ
R
I
L
L
Y
L
V
N
K
L
N
N
I
Y
F
R
I
E
S
P
Q
L
C
S
N
I
F
K
N
F
Q
P
K
S
M
L
A
H
F
N
E
Y
Q
--
L
D
Q
Q
I
E
Y
------
R
Y
L
L
G
R
Y
Y
L
L
-------------------------------
N
S
Q
V
H
N
A
F
V
Q
-
F
N
E
A
F
Q
S
L
L
-
N
L
--
P
L
T
N
---
Q
A
I
T
R
N
G
T
R
I
L
N
Y
M
I
P
T
G
L
I
L
G
--
K
--
M
--
V
K
W
G
P
L
R
P
F
L
S
Q
E
T
I
---
D
N
W
S
V
L
Y
K
H
V
-
R
Y
-------
G
N
I
Q
G
V
S
L
W
L
R
Q
N
-----
E
R
H
L
C
A
R
Q
L
L
I
V
L
L
E
K
L
P
M
V
T
Y
R
--------
N
L
I
--
K
T
V
I
K
S
W
T
T
E
W
G
Q
N
K
L
P
Y
S
L
I
E
R
------
V
L
Q
L
S
I
G
P
T
F
E
D
P
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
E
I
T
I
Y
N
G
I
H
S
P
K
N
V
E
N
V
L
V
T
L
I
N
L
G
L
L
R
A
N
------------
C
-----------
F
---
P
---
Q
-
L
Q
-------
L
C
V
V
K
K
T
---
T
M
I
---
Q
E
I
V
P
P
V
N
E
R
I
T
K
M
F
-----------------
P
A
H
S
H
V
L
W
------------
49
Fugue
64.16
16%
-124
- C2 -
4TQ3
3
?
A:
[15-301]
---------
S
K
Y
L
R
L
L
---
R
P
V
A
W
L
C
F
L
L
P
Y
A
--
V
G
F
G
F
-
G
I
T
P
N
A
--
S
L
Q
H
A
V
L
------
G
L
L
S
F
A
F
W
M
A
-
F
S
F
T
-
I
N
A
L
Y
D
R
D
V
D
R
-
L
H
D
G
L
N
L
S
M
Q
P
L
V
T
G
E
----------------
I
-
S
V
R
E
A
W
L
Y
---
C
I
A
F
L
A
L
S
L
A
T
A
A
A
I
N
E
K
F
F
L
A
--
M
--
L
G
A
N
I
I
G
Y
V
Y
S
A
P
--
P
R
F
---
K
A
W
P
V
M
D
V
I
C
N
A
L
A
A
V
L
A
F
Y
A
G
L
S
I
G
G
A
E
V
P
I
A
-----
I
Y
P
A
A
----
F
F
L
A
A
T
F
Y
I
P
T
A
V
S
--------
D
Y
E
--
F
D
K
K
A
-------------------------------
G
L
K
N
T
P
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
G
-
P
E
R
A
L
K
S
L
Y
P
L
S
A
I
T
V
I
L
W
A
Y
V
F
L
M
A
E
R
I
E
I
K
V
------------
I
-----------
S
---
P
---
L
-
I
I
-------
A
Y
T
L
I
Y
T
F
I
I
N
S
R
WDG
E
K
L
N
V
S
P
N
L
I
L
T
P
F
G
I
I
S
A
L
-----------
F
I
A
Y
G
F
A
V
I
S
V----------
8
PsiBlast_PDB
54.30
22%
-155
- C3 -
4MQT
2
ACM2_HUMAN
A:
[50-170]
------------------------------------------------------------------
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
WPL
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
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
C
-------------------------------------------
7
PsiBlast_PDB
54.02
22%
-156
- C3 -
4MQS
1
?
A:
[50-170]
------------------------------------------------------------------
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
WPL
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
------
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
-----------------------------------------
14
PsiBlast_PDB
53.73
22%
-163
- C3 -
3UON
2
ACM2_HUMAN (first)
A:
[33-153]
------------------------------------------------------------------
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
WPL
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
P
V
Y
-----------
D
S
L
D
A
V
R
R
A
A
-----------
4
PsiBlast_PDB
53.03
29%
-151
- C3 -
3ZEV
5
NTR1_RAT
A:
[25-147]
--------------------------------------------------------------
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
P
I
V
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
V
F
L
S
T
L
A
C
-----------