@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 : FPR3_HUMAN: (2016-01-09 )
METNFSIPLNETEEVLPEPAGHTVLWIFSLLVHGVTFVFGVLGNGLVIWVAGFRMTRTVNTICYLNLALADFSFSAILPFRMVSVAMREKWPFGSFLCKLVHVMIDINLFVSVYLITIIALDRCICVLHPAWAQNHRTMSLAKRVMTGLWIFTIVLTLPNFIFWTTISTTNGDTYCIFNFAFWGDTAVERLNVFITMAKVFLILHFIIGFSVPMSIITVCYGIIAAKIHRNHMIKSSRPLRVFAAVVASFFICWFPYELIGILMAVWLKEMLLNGKYKIILVLINPTSSLAFFNSCLNPILYVFMGRNFQERLIRSLPTSLERALTEVPDSAQTSNTDTTSASPPEETELQAM
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.-------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----METNFSIPLN
E
T
E
E
VLPEP-------AG
H
T
V
L
W
I
F
S
L
L
V
H
G
V
T
F
V
F
G
V
LGN
G
L
V
I
W
-V--AG-F-
R
M
T
-
R
------
T
V
N
T
I
C
Y
L
N
L
A
L
A
DF
S
F
S
A
-
I
--
L
P
F
R
M
V
S
V
A
M
REKWP
F
G
S
F
L
C
K
L
V
H
V
M
I
D
I
N
L
F
V
S
V
Y
L
I
T
I
I
A
L
D
R
C
I
C
V
LH
P
A
W
AQNH---
R
T
M
S
L
A
K
R
V
M
T
G
L
W
I
F
T
I
V
L
TLPN
F
I
F
W
T
T
I
ST--TNG
D
T
Y
-
C
--------
I
F
N
F
-----
A
----FWG-
D
T
A
V
E
R
L
--
N
V
F
I
T
M
A
K
V
F
L
I
L
H
F
I
I
GFSV
P
M
S
I
I
--------
T
V
-
C
--------------------------------
Y
G
I
I
----------------------------
A
A
K
I
HR---------NHM--------------------------------------------------------------------------------------------------------------------------------------------------------------------IKSS--------R-----
P
--------
L
R
V
F
A
A
V
V
A
S
F
F
I
C
W
F
P
Y
E
L
I
----
G
I
L
M
A
V
W
L
K
---
E
M
---
L
L--N---G--K
Y
K
I
I
L
V
L
-------INPT
S
S
L
A
F
F
N
S
C
L
N
P
I
L
Y
V
F
MGR
N
F
Q
E
R
L
I
R
SL
P
T
S
L
E
R
A
L
T
EVPDSAQTSNTD--TTSASPPEETELQAM-------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
90.49
32%
-165
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[43-497]
-------------------------------
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
---
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
89.20
31%
-173
- C2 -
5C1M
7
?
A:
[11-294]
---------------------
S
P
-------
S
M
V
T
A
I
T
I
M
A
L
--
Y
S
I
V
C
V
V
G
L
F
G
N
F
L
V
M
Y
-
V
I
-
V
R
-
Y
-
T
K
M
-
K
------
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
A
T
S
-
T
--
L
P
F
Q
S
V
N
Y
L
M
-
G
T
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
R
N
A
K
I
V
N
V
C
N
W
I
L
S
S
A
I
G
L
P
-
V
M
F
M
A
T
T
K
Y
--
R
Q
G
S
I
D
-
C
--------
T
L
T
F
-----
S
H
P
T
W
Y
W
E
-
N
----------------
L
L
K
I
C
V
F
I
F
A
F
I
M
P
V
L
I
I
--------
T
V
-
C
--------------------------------
Y
G
L
M
----------------------------
I
L
R
L
K
S
---------
V
R
M
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
S
G
S
K
E
K
D
R
N
L
R
R
-----
I
--------
T
R
M
V
L
V
V
V
A
V
F
I
V
C
W
T
P
---------
I
H
I
Y
V
I
I
K
---
A
L
---
I
T
--
I
---
P
--
E
T
T
F
Q
T
V
S
-------
W
H
F
C
I
A
L
G
Y
T
N
S
C
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
R
C
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
85.43
30%
-174
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[136-405]
--------------------------------------------------
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
PSP--
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
84.73
30%
-173
- C2 -
4RWD
6
C562_ECOLX (first)
A:
[136-405]
--------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
84.28
18%
-139
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
FEAPQYY
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
T
V
S
K
T
E
--
T
S
Q
V
A
P
A
---------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
83.63
24%
-164
- C2 -
3UON
4
ACM2_HUMAN (first)
A:
[23-457]
------------------------------------
V
V
F
I
V
L
V
A
G
S
L
S
L
V
T
I
I
G
N
I
L
V
M
V
-
S
--
I
K
V
N
-
R
H
L
-
Q
------
T
V
N
N
Y
F
L
F
S
L
A
C
A
D
L
I
I
G
V
F
S
--
M
N
L
Y
T
L
Y
T
V
-
I
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
L
T
Y
P
V
K
---
R
T
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
P
A
I
L
F
W
Q
F
I
V
G
VR
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
TGTWDAYPPP--
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
82.60
30%
-174
- C2 -
4N6H
21
OPRD_HUMAN
A:
[139-408]
--------------------------------------------------
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
SP--
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
82.05
22%
-163
- C2 -
2Z73
5
OPSD_TODPA
A:
[31-334]
---------------------------------
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
-------
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
---------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
81.81
29%
-180
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[137-401]
------------------------------------------------
V
G
G
L
L
G
N
C
L
V
M
Y
-
V
--
I
--
L
-
R
H
T
-
K
MK----
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
PQ-
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
81.35
22%
-156
- 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
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
--
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
80.79
21%
-169
* 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
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
----------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
80.23
24%
-149
- C2 -
2KS9
1
NK1R_HUMAN
A:
[11-313]
----
L
S
P
N
I
S
T
N
T
S
E
P
N
Q
F
V
-
Q
P
-------
A
W
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
P
----------------------------
G
D
S
S
D
R
---------
Y
H
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
Y
---
L
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
G
D
Y
E
G
L
E
M
K
S
T
R
Y
--
L
Q
T
Q
G
S
V
Y
K
V
S
R
L
E
T
-------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
79.82
21%
-172
- C2 -
4MBS
8
CCR5_HUMAN (first)
A:
[38-366]
------------------------------------------
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
PYSQ
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
T
V
-
C
G
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIPDDWVCPL
C
G
V
G
----------------------------
K
D
Q
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
79.81
31%
-146
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[38-322]
-----------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
79.15
29%
-159
- C2 -
4XT3
2
US28_HCMVA
A:
[44-310]
---------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
78.56
25%
-130
- 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
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
GRNTNGV
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
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
1
PsiBlast_PDB
78.46
31%
-156
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[43-320]
----------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
77.84
29%
-167
- C2 -
4XT1
14
US28_HCMVA
A:
[44-310]
---------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
77.70
21%
-164
- 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
YDTTSDEY
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
PEDGDPDNGVNPGTDFKDIVCPLCGVG
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
QTP
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
76.30
19%
-112
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
FE-----
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
KKLR
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
AAAQQQESA
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
E
A
S
T
T
V
S
K
T
E
--
T
S
Q
V
A
P
A
---------------------------------------------------------------------------------------------------------------------------------------------