@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 : OR5C1_HUMAN: (2016-01-13 )
MNSENLTRAAVAPAEFVLLGITNRWDLRVALFLTCLPVYLVSLLGNMGMALLIRMDARLHTPMYFFLANLSLLDACYSSAIGPKMLVDLLLPRATIPYTACALQMFVFAGLADTECCLLAAMAYDRYVAIRNPLLYTTAMSQRLCLALLGASGLGGAVSAFVHTTLTFRLSFCRSRKINSFFCDIPPLLAISCSDTSLNELLLFAICGFIQTATVLAITVSYGFIAGAVIHMRSVEGSRRAASTGGSHLTAVAMMYGTLIFMYLRPSSSYALDTDKMASVFYTLVIPSLNPLIYSLRNKEVKEALRQTWSRFHCPGQGSQ
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--------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MNSE----------NL
T
R
AAVA----------P
A
--
E
F
V
L
L
G
ITNRW
D
L
R
V
A
L
F
L
T
C
L
P
V
Y
L
V
S
L
L
GNM
G
M
A
L
L
I
R
MDARLH
T
P
M
Y
F
F
L
A
N
L
S
L
L
D
A
C
Y
S
SAI-
G
P
K
M
L
V
D
L
L-LPRATI
P
Y
T
A
C
A
L
Q
M
F
V
FAGLAD
T
E
C
C
L
L
A
A
M
A
Y
D
R
Y
V
A
IRN
P
----
L
L
Y
T
T
A
---
M
S
Q
R
L
C
L
A
L
LGASGL
G
G
A
V
S
A
F
V
H
T
T
L
T
F
R
L
S
F
C
RSRKIN
S
F
FCDIP
P
L
L
A
I
SC-------S-------DT
S
L
--
N
E
L
L
L
F
A
I
C
G
F
I
Q
T
A
T
V
L
A
I
T
V
S
Y
G
F
I
A
G
A
V
I
H
M
RS------------------------------------------------------------------------------------------------------------------------------------------------------------------V-------------------------------------------------------------------------------------------------------------------------------------------------------------------EGSRRAASTGG
S
H
L
T
A
V
A
M
M
Y
G
T
L
I
F
M
Y
LRPSSS------------Y------------A------L
D
T
D
K
-----------
M
A
S
V
F
Y
T
LVIPSL
N
P
L
I
Y
S
L
R
N
K
E
V
K
E
A
L
R
Q
T
W
S
RFHCPGQGSQ----------------
24
HHSearch
91.10
15%
-120
- C2 -
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
NL----------
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
-------------------------
39
Fugue
89.37
17%
-107
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
PNFYVPFS
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
DYYTPH
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
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
S
KTETS
Q
V
A
P
A------
23
HHSearch
89.19
16%
-128
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
---------------------------------------------------
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
TGTWDAYLH-
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
R
E
R
K
A
A
K
Q
L
G
F
I
M
A
A
F
I
L
C
W
I
P
Y
F
I
F
F
M
V
I
A
F
C
------------
K
NC----------
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
-------------------------
21
HHSearch
89.14
17%
-125
- C2 -
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
PC----------
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
--------------------------
40
Fugue
88.53
16%
-112
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
N
G
T
----------
E
G
P
N
F
Y
V
P
FSNKTGVVRS
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
DYYTP
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
QGSDFGPIFM
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
TETSQVAPA
27
HHSearch
85.18
18%
-127
- C2 -
2Z73
5
OPSD_TODPA
A:
[32-334]
-----------------------------------------------
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
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
F
D
D
----------------
30
HHSearch
83.97
15%
-128
- C2 -
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
V
VP
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
--------------------
32
HHSearch
80.24
15%
-127
- 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
TCH---------
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
-------------------------
31
HHSearch
79.60
16%
-124
- C2 -
2KS9
1
NK1R_HUMAN
A:
[32-325]
-------------------------------------------------
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
LYLKKF
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
----------------
29
HHSearch
77.30
14%
-102
- C2 -
1U19
14
OPSD_BOVIN
A:
[38-329]
-----------------------------------------------
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
QGS---------
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
----------------
28
HHSearch
75.63
17%
-114
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[61-495]
-----------------------------------------------
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
KTC
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
-----------------------
22
HHSearch
72.04
14%
-116
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-500]
-----------------------------------------------
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
Q
----------------
43
Fugue
71.30
20%
-142
- C1 -
4U2X
1
VP24_EBOZM
A:
[1-216]
--------------
D
L
E
K
G
V
V
L
----------
S
D
LC
N
F
L
V
S
Q
T
I
Q
G
W
K
V
Y
W
A
G
I
E
F
D
V
T
--------
H
K
G
M
A
L
L
H
R
L
K
T
N
D
F
A
P
A
W
S
M
T
R
N
L
F
------------
P
H
L
F
Q
N
----
P
N
S
T
I
E
S
P
L
W
A
L
R
V
I
L
A
A
G
I
Q
D
Q
L
-------------------------------
I
D
Q
S
L
---
I
E
P
L
A
G
A
L
G
L
I
S
D
W
L
L
T
T
N
T
N
H
F
-------------
N
M
R
T
Q
R
V
K
E
Q
-------
L
-------
S
L
K
M
--
L
S
L
I
R
S
N
I
L
K
F
I
N
K
L
D
A
L
H
V
V
N
Y
N
G
L
L
S
S
I
E
I
G
T
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
H
T
I
I
I
T
R
T
N
M
G
--
F
L
V
E
L
Q
E
P
D
K
------------
S
------------
A
------
M
N
R
M
K
-----------
P
G
P
A
K
F
S
L
L
---------------
H
E
S
T
L
K
A
F
T
---------------------------
33
HHSearch
69.38
15%
-108
- C2 -
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
------------
R
TQVIQE
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
-----------------------
8
PsiBlast_PDB
57.64
21%
-153
- C2 -
4U15
1
ACM3_RAT
A:
[8-134]
--------------------------------------------
T
I
W
Q
V
V
F
I
A
F
L
T
G
F
-
L
A
L
V
T
I
I
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
L
A
C
A
D
L
I
I
G
V
I
S
-
M
N
L
F
T
T
Y
I
I
-
M
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
D
R
Y
F
S
I
T
R
P
----
L
T
Y
R
A
K
---
R
T
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
L
W
A
P
A
I
L
F
W
Q
Y
F
V
G
K
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
T
F
-------
G
-------
T
A
I
A
--
A
F
Y
M
P
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
M
L
R
I
D
E
G
G
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
G
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
----------------
6
PsiBlast_PDB
57.54
21%
-149
- C2 -
4DAJ
2
ACM3_RAT (first)
A:
[9-134]
---------------------------------------------
I
W
Q
V
V
F
I
A
F
L
T
G
F
-
L
A
L
V
T
I
I
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
L
A
C
A
D
L
I
I
G
V
I
S
-
M
N
L
F
T
T
Y
I
I
-
M
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
D
R
Y
F
S
I
T
R
P
----
L
T
Y
R
A
K
---
R
T
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
L
W
A
P
A
I
L
F
W
Q
Y
F
V
G
K
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
T
F
-------
G
-------
T
A
I
A
--
A
F
Y
M
P
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
M
L
R
I
D
E
G
L
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
S
E
L
D
K
A
------------
I
------------
G
------
R
N
T
N
G
-----------
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
----------------
17
PsiBlast_PDB
57.52
22%
-132
- C2 -
4YAY
1
AGTR1_HUMAN
A:
[133-266]
-----------------------------------------------------------
I
F
V
V
G
I
F
G
N
S
L
V
V
I
V
I
Y
F
Y
M
K
L
K
T
V
A
S
V
F
L
L
N
L
A
L
A
D
L
C
F
L
L
T
L
-
P
L
W
A
V
Y
T
A
M
-
E
Y
R
W
P
F
G
N
Y
L
C
K
I
A
S
A
S
V
S
F
N
L
Y
A
S
V
F
L
L
T
C
L
S
I
D
R
Y
L
A
I
V
H
P
MKSR
L
R
R
T
M
L
---
V
A
K
V
T
C
I
I
I
W
L
L
A
G
L
-
A
S
L
P
A
I
I
H
R
N
V
F
F
I
I
T
V
C
A
F
H
Y
E
T
L
P
I
G
L
G
L
T
K
N
I
L
G
F
-------
L
-------
F
P
F
L
--
I
I
L
T
S
Y
T
L
I
W
K
A
L
K
K
N
D
D
I
F
K
I
I
M
A
I
V
L
F
F
F
F
S
W
I
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
I
F
T
F
L
D
V
L
I
Q
L
G
I
I
R
D
C
R
I
A
D
I
V
D
T
A
M
P
I
T
I
C
I
------------
A
------------
Y
------
F
N
N
C
L
-----------
N
P
L
F
Y
G
F
L
G
K
K
F
K
R
Y
F
L
Q
L
L
----------------------------------------
7
PsiBlast_PDB
56.13
21%
-156
- C2 -
4U14
1
ENLYS_BPT4
A:
[8-134]
--------------------------------------------
T
I
W
Q
V
V
F
I
A
F
L
T
G
F
-
L
A
L
V
T
I
I
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
L
A
C
A
D
L
I
I
G
V
I
S
-
M
N
L
F
T
T
Y
I
I
-
M
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
D
R
Y
F
S
I
T
R
P
----
L
T
Y
R
A
K
---
R
T
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
L
W
A
P
A
I
L
F
W
Q
Y
F
V
G
K
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
T
F
-------
G
-------
T
A
I
A
--
A
F
Y
M
P
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
C
F
E
M
L
R
I
D
E
G
L
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
I
Y
K
D
C
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
C
A
L
I
----------------
9
PsiBlast_PDB
55.63
21%
-151
- C2 -
4U16
1
?
A:
[8-134]
--------------------------------------------
T
I
W
Q
V
V
F
I
A
F
L
T
G
F
-
L
A
L
V
T
I
I
G
N
I
L
V
I
V
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
L
A
C
A
D
L
I
I
G
V
I
S
-
M
N
L
F
T
T
Y
I
I
-
M
N
R
W
A
L
G
N
L
A
C
D
L
W
L
S
I
D
Y
V
A
S
N
A
S
V
M
N
L
L
V
I
S
F
D
R
Y
F
S
I
T
R
P
----
L
T
Y
R
A
K
---
R
T
T
K
R
A
G
V
M
I
G
L
A
W
V
I
S
F
V
L
W
A
P
A
I
L
F
W
Q
Y
F
V
G
K
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
T
F
-------
G
-------
T
A
I
A
--
A
F
Y
M
P
V
T
I
M
T
I
L
Y
W
R
I
Y
K
E
T
E
K
M
N
I
F
E
M
L
R
I
D
E
G
G
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
G
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
----------------
18
PsiBlast_PDB
51.91
22%
-129
- C2 -
3D4S
6
ENLYS_BPT4
A:
[51-155]
-----------------------------------------------------------
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
W
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
P
V
Y
D
S
L
D
A
V
R
R
----------------