@TOME V2.3
(Nov 2016)
Ref.
-
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Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : CCR4_HUMAN: (2016-01-09 )
MNPTDIADTTLDESIYSNYYLYESIPKPCTKEGIKAFGELFLPPLYSLVFVFGLLGNSVVVLVLFKYKRLRSMTDVYLLNLAISDLLFVFSLPFWGYYAADQWVFGLGLCKMISWMYLVGFYSGIFFVMLMSIDRYLAIVHAVFSLRARTLTYGVITSLATWSVAVFASLPGFLFSTCYTERNHTYCKTKYSLNSTTWKVLSSLEINILGLVIPLGIMLFCYSMIIRTLQHCKNEKKNKAVKMIFAVVVLFLGFWTPYNIVLFLETLVELEVLQDCTFERYLDYAIQATETLAFVHCCLNPIIYFFLGEKFRKYILQLFKTCRGLFVLCQYCGLLQIYSADTPSSSYTQSTMDHDLHDAL
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---------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MNPTDIAD
T
T
L
D
E
S
I
Y
S
N
Y
Y
LYESIPKP
C
T
K
E
G
I
K
A
F
G
E
L
F
L
P
P
L
Y
S
L
V
F
V
F
G
L
LG
N
S
V
V
V
L
V
L
F
K
Y
K
R
L
R
S
M
T
D
V
Y
L
L
N
L
A
I
S
D
L
L
F
V
F-S--LP--
F
W
-
G
Y
-
Y
A
--
A
D
Q
--
W
V
F
G
L
G
L
C
K
M
I
S
W
M
Y
L
V
G
F
Y
S
G
I
F
F
V
M
L
M
S
I
D
R
Y
L
A
I
V
H
A
V
F
S
L
-
R
A
---
R
T
L
T
Y
G
V
I
T
S
L
A
T
W
S
V
A
V
F
A
SL
P
G
F
L
-
F
S
-
T
C
Y-T-ERN
H
T
-
Y
-
C
K
T
K
Y
SLN
S
T
T
-
W
K
V
L
S
SL
E
I
N
I
L
G
-
L
V
I
P
L
G
I
M
L
F
C
Y
S
M
I
I
------
R
T
L
----------------------------------------------------
Q
H
C
-----K--------------------------------------------------------------------------------------------------------------------------------------------------------------------NEKK
N
--
K
A
V
K
M
I
----
F
A
V
V
V
L
F
L
GFWT
P
Y
N
I
V
--
L
F
L
E
T
L
-------
V
E
L
E
--
V
L
-
Q
D-C-------------------
T
F
E
R
Y
L
D
Y
A
I
Q
A
T
E
T
L
A
F
V
H
C
C
L
N
P
I
I
--------------
Y
F
F
L
G
E
K
F
R
K
Y
I
L
Q
L
F
K
T
C
R
G
--
L
F
V
L
C
Q
Y
CGL
L
Q
I
YSADTPSSSY
T
Q
STMDHDLHDAL-----------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
93.10
41%
-165
- C3 -
4MBS
7
CCR5_HUMAN (first)
B:
[21-366]
---------------------------
P
C
Q
K
I
N
V
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
KYTCTVCGYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQFEEVEE----------------------------------------------------------------------------------------------------------------
E
K
K
R
H
--
R
D
V
R
L
I
----
F
T
I
M
I
V
Y
F
L
F
W
A
P
Y
N
I
V
--
L
L
L
N
T
F
-------
Q
E
F
F
--
G
L
-
N
N
-
C
-------------------
S
S
S
N
R
L
D
Q
A
M
Q
V
T
E
T
L
G
M
T
H
C
C
I
N
P
I
I
--------------
Y
A
F
V
G
E
E
F
R
N
Y
L
L
V
F
F
Q
-----------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
92.75
41%
-165
- C3 -
4MBS
8
CCR5_HUMAN (first)
A:
[21-366]
---------------------------
P
C
Q
K
I
N
V
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
F
E
E
V
E
E
----------------------------------------------------------------------------------------------------------------
E
K
K
R
H
--
R
D
V
R
L
I
----
F
T
I
M
I
V
Y
F
L
F
W
A
P
Y
N
I
V
--
L
L
L
N
T
F
-------
Q
E
F
F
--
G
L
-
N
N
-
C
-------------------
S
S
S
N
R
L
D
Q
A
M
Q
V
T
E
T
L
G
M
T
H
C
C
I
N
P
I
I
--------------
Y
A
F
V
G
E
E
F
R
N
Y
L
L
V
F
F
Q
-----------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
91.00
39%
-156
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-497]
---------------------------
P
C
F
R
E
E
N
A
N
F
N
K
I
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
I
-
T
--
L
P
--
F
W
-
A
V
-
D
A
--
V
A
N
--
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
-
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
-
F
A
-
N
V
S
-
E
-
A
D
D
R
Y
-
I
-
C
D
R
F
Y
P
N
D
--
L
-
W
V
V
V
F
Q
F
Q
H
I
M
V
G
-
L
I
L
P
G
I
V
I
L
S
C
Y
C
I
I
I
------
S
K
L
----------------------------------------------------
S
H
S
-----
G
SN
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
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
-----------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
77.96
33%
-156
- C3 -
4XT3
2
US28_HCMVA
A:
[26-308]
-----------------------
E
D
A
T
P
C
V
F
T
D
V
L
N
Q
S
K
P
V
T
L
F
L
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-
T
--
L
P
--
L
W
-
M
Q
-
Y
L
--
L
D
H
-----
A
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
----
M
-
R
Y
---
R
P
V
K
Q
A
C
L
F
S
I
F
W
W
I
F
A
V
I
I
A
I
P
H
F
M
-
V
V
-
T
------
K
K
D
N
-
Q
-
C
M
T
D
Y
D
Y
L
E
V
S
-
Y
P
I
I
L
N
V
E
L
M
L
G
A
-
F
V
I
P
L
S
V
I
S
Y
C
Y
Y
R
I
S
------
R
I
V
----------------------------------------------------
A
V
S
-----
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
R
H
K
G
--
R
I
V
R
V
L
----
I
A
V
V
L
V
F
I
I
F
W
L
P
Y
H
L
T
--
L
F
V
D
T
L
-------
K
L
L
K
W-
I
S
-
S
S
-
C
-------------------
E
F
E
R
S
L
K
R
A
L
I
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
--------------
Y
V
F
V
G
T
K
F
R
Q
E
L
H
C
L
L
A
E
----------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
76.90
33%
-160
- C3 -
4XT1
15
US28_HCMVA
A:
[24-308]
---------------------
Y
D
E
D
A
T
P
C
V
F
T
D
V
L
N
Q
S
K
P
V
T
L
F
L
Y
G
V
V
F
L
F
G
S
I
G
N
F
L
V
I
F
T
I
T
W
R
R
R
I
Q
C
S
G
D
V
Y
F
I
N
L
A
A
A
D
L
L
F
V
C
-
T
--
L
P
--
L
W
-
M
Q
-
Y
L
--
L
D
-------
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
Y
Y
A
I
V
Y
----
M
-
R
Y
---
R
P
V
K
Q
A
C
L
F
S
I
F
W
W
I
F
A
V
I
I
A
I
P
H
F
M
-
V
V
-
T
------
K
K
D
N
-
Q
-
C
M
T
D
Y
D
Y
L
E
V
S
-
Y
P
I
I
L
N
V
E
L
M
L
G
A
-
F
V
I
P
L
S
V
I
S
Y
C
Y
Y
R
I
S
------
R
I
V
----------------------------------------------------
A
V
S
-----
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
R
H
K
G
--
R
I
V
R
V
L
----
I
A
V
V
L
V
F
I
I
F
W
L
P
Y
H
L
T
--
L
F
V
D
T
L
-------
K
L
L
K
W-
I
S
-
S
S
-
C
-------------------
E
F
E
R
S
L
K
R
A
L
I
L
T
E
S
L
A
F
C
H
C
C
L
N
P
L
L
--------------
Y
V
F
V
G
T
K
F
R
Q
E
L
H
C
L
L
A
E
F
R
--------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
76.84
25%
-158
- C3 -
4N6H
23
C562_ECOLX (first)
A:
[104-410]
-----------------
N
A
Y
I
Q
K
Y
L
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
RLLSG--------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
76.15
28%
-138
- 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
TD
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
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
D
FQ
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
-----------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
76.04
27%
-164
- C3 -
4RWA
2
C562_ECOLX (first)
A:
[128-406]
--------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
75.37
21%
-151
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[40-477]
--------------------------------------
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
TGTWDAYKF--
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
----------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
75.36
27%
-169
- C3 -
4RWD
6
C562_ECOLX (first)
A:
[128-406]
--------------------------------------------
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
RLLSG--------------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
74.21
23%
-139
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[44-381]
-----------------------------
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
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
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
-----------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
73.86
28%
-177
- C3 -
4EA3
3
C562_ECOLX (first)
A:
[131-401]
--------------------------------------------
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
LLSG----------------------------------------------------------------------------------------------------------------------------------------------------------------
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
GVQPSS
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
---------------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
73.09
28%
-135
- 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
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
IGRNTNGVIT
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
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
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
2
PsiBlast_PDB
72.33
43%
-134
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[46-319]
---------------------------------------------
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
F
A
L
-
T
--
L
P
--
I
W
-
A
A
-
S
K
--
V
N
G
--
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
I
V
H
A
T
R
T
L
T
Q
K
---
R
H
L
V
K
F
V
--
C
L
G
C
W
G
L
S
M
N
L
S
L
P
F
F
L
-
F
R
-
Q
A
Y
-
H
-
P
N
N
S
S
P
V
-
C
Y
E
V
L
G
N
D
T
A
K
-
W
R
M
V
L
R
I
L
P
H
T
F
G
-
F
I
V
P
L
F
V
M
L
F
C
Y
G
F
T
L
------
R
T
L
----------------------------------------------------
F
K
A
-----
H
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
G
Q
K
H
--
R
A
M
R
V
I
----
F
A
V
V
L
I
F
L
L
C
W
L
P
Y
N
L
V
--
L
L
A
D
T
L
-------
M
R
T
Q
--
V
I
-
Q
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
--------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
72.03
29%
-173
- C3 -
5C1M
7
?
A:
[23-294]
--------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
71.57
23%
-138
- C3 -
4XNW
2
RUBR_CLOPA
A:
[44-381]
-----------------------------
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
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
PEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
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
-----------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
71.44
20%
-111
- 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
GY
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
AASAT
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
T
V
S
K
T
E
T
S
Q
V
A
P
A
--------------------------------------------------------------------------------------------------------------
36
HHSearch
71.41
25%
-146
- C3 -
2Z73
5
OPSD_TODPA
A:
[32-336]
------------------------------------
A
V
Y
Y
S
L
G
I
F
I
G
I
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
-
V
N
G
F
P
--
L
M
-
T
I
-
S
C
F
-
L
K
K
--
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
S
-
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
I
F
-
G
W
-
G
A
Y
-
T
L
E
G
V
L
C
-
N
-
C
S
F
D
Y
I
S
R
D
S
--
T
T
R
S
N
I
L
C
M
F
I
L
G
-
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
I
V
------
M
S
V
----------------------------------------------------
S
N
H
-----
E
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
-----------------------------------------------------------------------------------------------------------------------------------------------
A
N
A
E
M
--
R
L
A
K
I
S
----
I
V
I
V
S
Q
F
L
L
S
W
S
P
Y
A
V
V
--
A
L
L
A
Q
F
-------
G
P
L
E
-------------------------------
W
V
T
P
Y
A
A
Q
L
P
V
M
F
A
K
A
S
A
I
H
N
P
M
I
--------------
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
F
P
W
V
L
T
--
C
C
Q
F
D
D
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
------------------------------------------------------------------------------------------------------------------
27
HHSearch
71.34
40%
-125
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[37-323]
------------------------------------
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
Q
--
V
I
Q
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
--------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
71.04
23%
-162
- 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
GTWDAYGV
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
----------------------------------------------------------------------------------------------------------------------------------------------