@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 : OR4C5_HUMAN: (2016-01-13 )
MYVSNCNPCAIHRKINYPNTKLDFEQVNNITEFILLGLTQNAEAQKLLFAVFTLIYFLTMVDNLIIVVTITTSPALDSPVYFFLSFFSFIDGCSSSTMAPKMIFDLLTEKKTISFSGCMTQLFVEHFFGGVEIILLVVMAYDCYVAICKPLYYLITMNRQVCGLLVAMAWVGGFLHALIQMLLIVWLPFCGPNVIDHFICDLFPLLKLSCTDTHVFGLFVAANSGLMCMLIFSILITSYVLILCSQRKALSTCAFHITVVVLFFVPCILVYLRPMITFPIDKAVSVFYTVVTPMLNPLIYTLRNTEVKNAMKQLWSQIIWGNNLCD
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)
MYVSNC
N
P
C
A
I
H
R
KINY----PNT-KL
D
F
E
Q
V
N
N
I
T
E
F
-------------------
I
L
LG-------LTQN
A
E
A
Q
K
L
L
F
-----
A
V
F
T
-----
L
I
Y
F
L
T
M
VDN
L
I
I
-
V
V
T
ITTSPALD
S
-
P
V
Y
F
F
L
S
-
F
F
--
S
F
I
------DGCSSSTM-
A
-
P
K
M
I
F
D
L
LT-EKK---
T
I
S
F
S
G
C
M
T
Q
L
F
V
E
H
F
F----G
G
V
--
E
I
I
L
L
V
V
M
A
Y
D
----
C
Y
V
A
I
C
K
P
L
Y
Y
L
IT---MN
R
Q
V
C
-----
G
L
L
V
-----
A
---
M
A
W
V
G
G
F
L
H
A
L
I
------
Q
M
L
-
L
I
V
WLP-----------FC
G
P
N
V
I
D
--------
H
F
---------
I
C
D
L
F
P
L
L
KL------SCT--D
T
H
V
F
G
----
L
F
V
--AANSG
L
M
C
M
L
-----------------------
I
F
S
I
L
I
--
T
S
Y
V
L
I
L
C-------------S---------------------------------------------------------------------------------------------------------------------------------------------------------------------------Q-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
K
A
L
S
T
C
A
F
H
I
-----------------
T
V
V
V
L
F
F
V
---
P
---
C
I
L
V
Y
L
---
R
P
M
IT--------------F--------------P--------
I
D
K
---------
A
---
V
S
V
------------
F
Y
T
V
V
T
----------
P
M
L
N
P
L
I
Y
T
LR-----------
N
T
E
V
K
N
A
-
M
--
K
Q
L
W
--
S
Q
I
IWGNNLCD--------------
58
HHSearch
91.21
19%
-162
- C7 -
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
RQHCN
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
NCCN----------
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
-----------------------
62
HHSearch
86.64
17%
-170
- C7 -
2Z73
5
OPSD_TODPA
A:
[30-334]
-----------------------------------------------------------------------
P
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
LEWVT---------
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
--------------
54
HHSearch
85.17
16%
-161
- C7 -
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
KSRIN
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
TGTWDAYPPPSR-
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
PCIP----------
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
------------------------
61
HHSearch
84.95
16%
-171
- C7 -
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
FE
D
V
V
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
RQLN
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
DCSHAP--------
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
------------------
73
Fugue
83.70
17%
-142
- C7 -
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
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
TVKEAAASA----
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
GSDFGPIFM
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----
59
HHSearch
83.34
16%
-170
* C7 *
2KS9
1
NK1R_HUMAN
A:
[31-326]
--------------------------------------------------------------------------
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
LWASEIPGDSSDRYH
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
LYLKKFI
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
--------------
72
Fugue
82.46
19%
-134
- C7 -
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
TVKEAAAQQQESA
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
GSDFGPIFM
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
63
HHSearch
77.49
16%
-158
- C7 -
3V2Y
1
ENLYS_BPT4
A:
[60-495]
------------------------------------------------------------------------
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
VKTC
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
---------------------
79
Fugue
75.56
18%
-144
- C5 -
4MFL
7
?
A:
[23-345]
M
-----
D
P
E
T
V
R
I
A
L
G
----------
L
E
E
R
T
A
A
W
L
T
E
L
-------------------
D
E
L
G
PPAE
P
V
R
L
P
R
G
E
E
A
R
D
L
L
R
-----
R
L
E
----------
V
P
E
L
D
A
E
E
I
-
V
A
A
-
A
P
D
P
D
R
D
P
-
A
L
W
W
L
L
E
-
R
T
--
H
H
A
I
V
R
H
MG
D
H
R
A
K
P
R
G
-
G
-
P
P
L
P
Y
E
G
G
A
-
A
A
R
Y
F
H
V
Y
V
F
L
A
T
V
P
A
V
R
R
F
H
A
E
----
R
G
I
P
D
E
V
G
W
E
T
L
T
Q
L
G
----
E
L
V
A
I
H
R
R
K
Y
G
Q
G
G
---
M
N
M
Q
W
W
-----
T
T
Y
H
-----
L
R
GI
L
Y
R
L
G
R
L
Q
F
S
L
A
TGKDG
T
P
H
L
-
G
L
A
V
P
E
-----------
W
G
G
P
L
L
P
K
--------
A
Y
---------
D
E
S
L
H
R
A
R
P
F
------
F
D
R
--
H
F
P
E
H
G
----
A
R
V
--
A
W
G
S
S
W
M
L
D
P
-----------------------
Q
L
E
E
Y
L
--
T
E
D
S
N
I
I
Q
-------------
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
--------------------------------------
F
---
W
T
L
T
D
S
---
A
P
E
P
G
--------------
N
--------------
A
---------
D
G
---------
D
---
S
S
I
------------
L
E
F
V
F
R
----------
Y
N
G
Q
P
L
D
E
L
P
Q
-----------
R
S
S
L
E
R
A
V
I
--
A
H
L
K
--
A
G
R
H
W
H
M
R
T
G
F
V
K
L
P----------
64
HHSearch
73.56
16%
-152
- C7 -
1U19
14
OPSD_BOVIN
A:
[37-328]
------------------------------------------------------------------------
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
VKEAAAQQQESA
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
C
G
K
N
P
L
G
D
D
E
--------------
65
HHSearch
71.55
14%
-152
- C7 -
2LNL
-
CXCR1_HUMAN
A:
[37-322]
-------------------------------------------------------------------------
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
LFKAHMGQ-------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
---------------------
77
Fugue
70.54
18%
-202
- C3 -
4R5O
10
?
A:
[2-427]
---
D
D
C
E
D
L
H
L
G
N
L
A
H
Y
----
P
N
V
L
K
G
T
F
P
T
E
S
Q
V
L
E
L
G
E
T
L
E
I
T
P
E
L
LNPEG
A
T
Y
S
W
L
V
N
-------
G
K
E
Y
S
T
E
P
T
F
S
Y
K
IDNP
C
R
A
D
-----
L
S
C
I
I
K
N
K
Y
G
K
V
E
M
S
T
S
F
S
S
N
H
N
F
S
K
-
G
F
F
Y
V
A
D
G
T
F
--
N
F
Y
------
D
--
T
E
K
K
T
-
A
-
Y
Q
D
C
Y
A
S
L
N
-
A
G
K
---
T
L
G
I
-
G
N
Y
D
S
A
N
I
I
H
S
N
----
G
----
K
F
Y
L
L
V
G
T
S
T
S
NRDH
F
Y
I
V
D
A
K
T
L
Y
Y
E
N
S
A
V
-
V
G
A
N
L
S
-----
G
L
T
I
LNEQ
Y
G
---
L
V
T
G
D
G
I
R
R
I
D
L
------
K
S
L
-
N
N
V
R
I
K
N
E
R
LLCFY
N
S
I
I
Y
N
G
K
V
L
S
--------
N
D
TYKDES
K
V
K
Y
Y
D
V
N
E
L
I
A
A
KEGEA
P
A
V
T
--
E
L
D
I
I
Q
K
Q
K
I
N
F
V
--
L
A
K
D
G
N
V
Y
T
L
-----------------------
E
S
A
D
N
G
--
C
N
I
V
K
I
K
N
-------------
D
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
E
K
V
F
A
N
F
Q
P
AKGPYHSSPTI
G
M
V
A
S
E
T
E
N
I
I
Y
L
V
---
S
TDG
A
I
Y
K
Y
I
LGD
S
D
S
L
K
--------------
A
--------------
P
--------
F
I
A
---------
A
E
S
G
V
S
I
T
A
P
L
Q
L
NQQSG
E
L
Y
V
T
Y
T
EERK------
D
E
S
K
I
V
V
Y
S
K
D
-----------
G
K
V
L
H
T
V
-
D
CG
E
S
V
P
--
S
Q
I
L
F
N
N
------------------
55
HHSearch
67.70
14%
-156
- C7 -
3ODU
6
CXCR4_HUMAN (first)
A:
[44-499]
-----------------------------------------------------------------------
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
LSHSG----------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
--------------
56
HHSearch
67.20
16%
-163
- C7 -
2RH1
6
ADRB2_HUMAN (first)
A:
[38-232]
-------------------------------------------------------------------------
V
W
V
V
G
M
G
-----
I
V
M
S
-----
L
I
V
L
A
I
V
F
G
N
V
L
V
-
I
T
A
I
A
K
F
E
R
L
Q
T
-
V
T
N
Y
F
I
T
-
S
L
--
A
C
A
------
D
L
V
M
G
L
A
V
-
V
-
P
F
G
A
A
H
I
L
M
-
K
M
W
---
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
----
V
T
A
--
S
I
E
T
L
C
V
I
A
V
D
----
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
A
-----
R
V
I
I
-----
L
---
M
V
W
I
V
S
G
L
T
S
F
L
------
P
I
Q
-
M
H
W
Y
R
A
-----------
T
----
H
Q
E
--------
A
I
---------
N
C
Y
A
E
E
----------
T
C
C
--
D
F
F
T
N
Q
----
A
Y
A
--
I
A
S
S
I
V
S
F
Y
V
-----------------------
P
L
V
I
M
V
--
F
V
Y
S
R
V
F
Q
-------------
E
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
R
Q
L
N
I
F
E
M
L
R
-----------------
I
D
E
G
L
R
L
K
---
I
---
Y
K
D
T
E
G
---
Y
Y
T
I
G
--------------
I
--------------
G
--------
H
L
L
---------
T
---
K
S
P
------------
S
L
N
A
A
K
----------
S
E
L
D
K
A
I
G
R
N
T
-----------
N
G
V
I
T
K
D
-
E
--
A
E
K
L
--
F
N
Q
D
V
D
A
A
V
R
G
--------------
78
Fugue
65.30
14%
-192
- C2 -
4C0K
8
MIRO_DROME
A:
[6-409]
E
L
T
S
A
C
K
K
-
S
L
V
R
I
F
K
I
C
DID
G
D
N
-
L
L
N
D
Y
E
L
N
L
F
Q
R
R
-------------------
C
F
N
T
-------
P
L
Q
P
Q
I
L
D
E
V
K
A
-----
V
I
Q
K
NVPDG
I
Y
N
D
A
V
T
L
K
G
F
L
F
-
L
H
C
L
F
I
Q
R
G
R
N
E
-
T
T
W
A
V
L
R
-
R
F
--
G
Y
N
------
D
---
Q
L
E
M
-
C
-
Q
E
Y
L
R
P
P
L
K
-
I
P
P
G
S
-
S
T
E
L
S
H
R
G
Q
Q
F
L
I
A
V
F
E
R
Y
DR
D
G
D
--
G
A
L
S
P
E
E
H
K
M
L
----
F
S
T
C
P
A
A
P
W
S
Y
S
T
D
---
I
R
K
S
C
P
INETT
G
W
V
T
-----
L
---
H
G
W
L
C
R
W
T
L
M
T
L
I
D----
V
V
K
-
T
M
E
Y
L
A
-----------
Y
L
G
F
N
V
H
E
NDSQLAA
I
H
V
---------
T
R
E
R
R
I
D
L
A
K
------
R
Q
S
--
S
R
S
V
Y
K
----
C
H
V
I
G
P
K
G
S
G
K
T
G
M
C
R
G
F
L
V
EDMHKLIGKEFKTNVV
N
C
I
N
S
V
Q
V
YG
Q
E
K
H
L
I
L
R
DI
D
V
R
--------
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
D
P
L
Q
P
Q
E
V
N
C
-----------------
D
V
A
C
L
V
Y
D
SSN
P
---
R
S
F
E
Y
V
---
A
R
I
Y
I
--------------
K
--------------
Y
--------
Y
A
E
---------
S
---
K
I
P
------------
V
M
I
V
G
T
KCDMDERRQD
Y
L
M
Q
P
S
E
F
C
D
K
Y
KLL
P
P
H
L
F
S
L
K
T
N
K
K
E
L
-
Y
--
T
K
L
A
--
T
M
A
A
F
P
H
------------------
4
PsiBlast_PDB
60.20
22%
-170
- C6 -
4U14
1
ENLYS_BPT4
A:
[25-183]
--------------------------------------------------------------------------------------------------
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
--------------
66
HHSearch
60.07
15%
-162
- C7 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-223]
------------------------------------------------------------------------------
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
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
--------------
10
PsiBlast_PDB
58.85
22%
-149
- C6 -
4WW3
3
OPSD_TODPA
A:
[52-160]
----------------------------------------------------------------------------------------------------------------
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
R
L
N
A
K
E
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
--------------
2
PsiBlast_PDB
58.61
22%
-165
- C6 -
4U15
1
ACM3_RAT
A:
[25-183]
--------------------------------------------------------------------------------------------------
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
--------------
13
PsiBlast_PDB
58.21
22%
-148
- C6 -
3AYM
3
OPSD_TODPA
A:
[60-168]
----------------------------------------------------------------------------------------------------------------
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
R
L
N
A
K
E
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
--------------