@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 : NK3R_HUMAN: (2016-01-11 )
MATLPAAETWIDGGGGVGADAVNLTASLAAGAATGAVETGWLQLLDQAGNLSSSPSALGLPVASPAPSQPWANLTNQFVQPSWRIALWSLAYGVVVAVAVLGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASMAAFNTLVNFIYALHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKTKVMPGRTLCFVQWPEGPKQHFTYHIIVIILVYCFPLLIMGITYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVMTFAICWLPYHIYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIKVSSYDELELKTTRFHPNRQSSMYTVTRMESMTVVFDPNDADTTRSSRKKRATPRDPSFNGCSRRNSKSASATSSFISSPYTSVDEYS
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.......370.......380.......390.......400.......410.......420.......430.......440.......450.......460...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MATLPA
A
E
T
W
IDGGGGVGA
D
A
V
N
L
T
A
S
LAAGAATGA
V
E
T
G
W
L
Q
L
L
D
QAGNLSSSPSALGLPVASPAPSQ
P
W
A
N
L
T
N
Q
F
VQPS
W
R
I
A
L
W
S
L
A
Y
G
V
V
V
A
V
A
V
L
----
G
N
L
I
V
I
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
L
V
N
L
AFS
D
A
S
M
A
A
F
N
T
L
V
N
F
I
Y
A
L
-HS
E
W
YFGA
N
Y
C
R
F
QNFF
P
I
T
A
V
F
A
S
I
Y
S
M
T
A
I
A
V
D
R
Y
M
A
I
IDPL-K
P
---
R
--L-----SA
T
A
T
K
I
V
I
G
S
I
W
I
L
A
F
L
L
A
F
-
P
Q
C
L
Y
S
-KTKV---MPG--
R
T
L
C
F
V
QW--PE----GPK--Q
H
F
--
T
---
Y
H
I
I
V
I
I
L
V
Y
C
F
P
L
L
I
M
G
I
T
Y
T
I
V
-----------------
G
I
T
L
WGGEIPG
D
T
C
D
--------------------------------------------------------------------------------------------------------------------------------------------------------
K
Y
H
E
Q
L
K
A
K
R
K
V
V
K
M
M
I
I
V
V
M
T
F
A
I
C
W
L
P
Y
H
--
I
Y
F
I
L
T
A
I
Y
Q
Q
L
------
N
R
W
K
Y
I
Q
Q
V
Y
L
A
S
F
W
L
A
M
S
S
T
MYN
P
I
I
Y
C
C
L
N
K
R
F
R
A
G
F
K
R
A
FRWCP
F
I
KVSSY
D
E
L
E
L
K
T
T
RFHPNRQS
S
M
Y
T
V
T
R
M
E
S
M
T
V
V
FDPNDADT
T
R
SSRKKRATPRDPSFNGCSRRNSKSAS
A
T
S
S
F
ISSPYTSVDEYS
3
PsiBlast_PDB
92.24
65%
-140
- C1 -
2KSB
1
NK1R_HUMAN
A:
[13-356]
------------------------------------------------------------
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
T
I
S
T
V
V
G
A
-------------------------------------------------
2
PsiBlast_PDB
92.24
65%
-140
- C1 -
2KSA
1
NK1R_HUMAN
A:
[13-356]
------------------------------------------------------------
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
T
I
S
T
V
V
G
A
-------------------------------------------------
1
PsiBlast_PDB
92.24
65%
-140
- C1 -
2KS9
1
NK1R_HUMAN
A:
[13-356]
------------------------------------------------------------
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
T
I
S
T
V
V
G
A
-------------------------------------------------
23
HHSearch
86.91
70%
-165
- C1 -
2KS9
1
NK1R_HUMAN
A:
[28-326]
--------------------------------------------------------------------------------
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
KI
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
T
I
S
T
V
V
G
A
--------------------------------------------------
27
HHSearch
76.34
27%
-146
- C1 -
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
SL
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
TGTW--
D
A
Y
K
F
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
--------------------------------------------------------------------------------------------
10
PsiBlast_PDB
74.97
27%
-162
- C1 -
4N6H
23
C562_ECOLX (first)
A:
[126-410]
------------------------------------------------------------------------------------
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
LDF
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
R
K
P
C
G
-----------------------------------------------------------------------------------------
12
PsiBlast_PDB
74.21
27%
-164
- C1 -
4RWD
7
C562_ECOLX (first)
A:
[123-406]
------------------------------------------------------------------------------------
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
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
----------------------------------------------------------------------------------------------
33
HHSearch
73.48
24%
-152
- C1 -
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
GTW
D
A
Y
G
V
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
--------------------------------------------------------------------------------------------
11
PsiBlast_PDB
73.01
27%
-169
- C1 -
4RWA
2
C562_ECOLX (first)
A:
[123-406]
------------------------------------------------------------------------------------
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
---------
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
----------------------------------------------------------------------------------------------
24
HHSearch
72.71
22%
-147
- C1 -
3UON
4
ACM2_HUMAN (first)
A:
[25-457]
--------------------------------------------------------------------------------------
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
VK
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
GVR
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
TGTW--
D
A
Y
P
P
P
S
R
E
K
K
V
T
R
T
I
L
A
I
L
L
A
F
I
I
T
W
A
P
Y
N
--
V
M
V
L
I
N
T
F
C
A
P
C
------
I
----
P
N
T
V
W
T
I
G
Y
W
L
C
Y
I
N
S
T
I
N
P
A
C
Y
A
L
C
N
A
T
F
K
K
T
F
K
H
L
L
M
---------------------------------------------------------------------------------------------
28
HHSearch
72.63
23%
-149
- C1 -
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
KY
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
TGTW--
D
A
Y
L
H
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
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
--------------------------------------------------------------------------------------------
43
Fugue
71.68
21%
-123
- C1 -
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
GM
Q
C
S
C
G
I
D
Y
YT
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
------------------------------
32
HHSearch
70.97
23%
-136
- C1 -
3EML
13
ENLYS_BPT4
A:
[22-472]
-------------------------------------------------------------------------------------
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
CLFE
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
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
D
C
------
S
--
H
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
---------------------------------------------------------------------------------------
8
PsiBlast_PDB
70.36
30%
-144
- C1 -
4GBR
1
ADRB2_HUMAN
A:
[3-282]
--------------------------------------------------------------------------------------
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
-
T
K
T
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
SL
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
Q
K
I
D
--------------------------------------------------------------------------------------------------------------------------------------------------------
K
F
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
--------------------------------------------------------------------------------------------
44
Fugue
70.18
21%
-101
- C1 -
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
GM
Q
C
S
C
G
I
D
Y
YT
P
H
----
E
E
T
--
N
N
E
--
S
---
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
-----------------
V
F
T
V
---
K
E
A
A
A
Q
Q
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------
E
S
A
T
T
Q
K
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
--
G
V
A
F
Y
I
F
T
H
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
------------------------------
22
HHSearch
69.64
21%
-144
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[44-498]
--------------------------------------------------------------------------------
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
TGTWD
A
Y
G
S
K
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
-----------------------------------------------------------------------------------
15
PsiBlast_PDB
68.14
25%
-151
- C1 -
3C9L
13
OPSD_BOVIN
A:
[35-314]
----------------------------------------------------------------------------------
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
GM
Q
C
S
C
G
I
D
Y
YT
P
H
----
E
E
T
--
N
N
E
--
S
---
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
-----------------
V
F
T
V
--
K
E
A
A
A
Q
Q
Q
E
--------------------------------------------------------------------------------------------------------------------------------------------------------
S
A
T
T
Q
-
K
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
F
Y
I
F
T
---
H
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
D
D
E
--------------------------------------------------------------------------------------
9
PsiBlast_PDB
68.04
28%
-162
- C1 -
3SN6
1
R:
[180-487]
--------------------------------------------------------------------------------------
V
W
V
V
G
M
G
I
V
M
S
L
I
V
L
AIVF
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
-
T
K
T
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
SL
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
------
Q
E
--
A
I
N
C
Y
A
E
----
E
----
T
C
C
--
D
F
F
--
T
NQA
Y
A
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
V
Y
S
R
V
FQEAKRQLQKIDKSEGR-------------
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
---------------------------------------------------------------------------------------------
30
HHSearch
67.81
22%
-139
- C1 -
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
I
DEGLRL
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
TGTWD--
A
Y
A
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
K
------
T
--
C
D
I
L
F
R
A
E
Y
F
L
V
L
A
V
L
N
S
G
T
N
P
I
I
Y
T
L
T
N
K
E
M
R
R
A
F
I
R
I
M
G
R
P
L
------------------------------------------------------------------------------------------
16
PsiBlast_PDB
67.59
25%
-145
- C1 -
1F88
7
OPSD_BOVIN
A:
[35-314]
----------------------------------------------------------------------------------
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
GM
Q
C
S
C
G
I
D
Y
YT
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
-------------------------------------------------------------------------