@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 : OR4D9_HUMAN: (2016-01-13 )
MDQRNYTRVKEFTFLGITQSRELSQVLFTFLFLVYMTTLMGNFLIMVTVTCESHLHTPMYFLLRNLSILDICFSSITAPKVLIDLLSETKTISFSGCVTQMFFFHLLGGADVFSLSVMAFDRYIAISKPLHYMTIMSRGRCTGLIVASWVGGFVHSIAQISLLLPLPFCGPNVLDTFYCDVPQVLKLACTDTFTLELLMISNNGLVSWFVFFFLLISYTVILMMLRSHTGEGRRKAISTCTSHITVVTLHFVPCIYVYARPFTALPTDTAISVTFTVISPLLNPIIYTLRNQEMKLAMRKLKRRLGQSERILIQ
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..------------------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MDQRN
Y
T
R
V
K
E
F
T
F
L
GITQS----------------
R
E
L
S
----------------
Q
V
L
F
T
F
L
F
L
V
Y
M
T
T
L
MGN
F
L
I
M
V
T
V
TCESHL
H
T
P
M
Y
F
L
L
R
N
L
S
I
L
D
I
--
C
F
S
SIT-
A
P
K
V
L
I
D
L
L
-SETK
T
I
S
F
S
G
C
V
T
Q
M
F
F
F
H
LLGGA
D
V
F
S
L
S
V
M
A
F
D
R
Y
I
AISKP
L
H
Y
M
T
I---MSRGR
C
T
G
L
I
V
A
S
W
V
G
G
F
V
H
S
I
A
Q
I
S
L
L
LPLP-----FCG
P
N
V
L
D
T
F
YCD
V
P
Q
V
L
K
L
ACT-
D
--
T
F
T
L
E
L
L
M
ISNN
G
L
V
S
W
F
V
F
F
F
L
L
-----------
I
S
Y
T
V
I
L
M
M
L
R
SHT-----------G------------E
G
---------------------
R
R
K
A
I
S
T
CTS
H
I
T
V
V
T
L
HF
V
----
P
C
I
Y
V
YARP----F----T----A---L----PTD---------
T
A
-----
I
S
V
T
F
T
V
I
S
P
L
L
N
P
I
I
Y
T
LR
N
Q
E
M
K
L
A
-
M
R
K
L
----
K
-------------
R
RLGQSE
R
I
L
IQ------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
89.30
20%
-108
- 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
GVVRSPFEAPQYYLAE
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
VFTVKEAAA
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
QGSDFGPIF
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
TETS
Q
V
A
P
A---------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
84.74
23%
-122
- C1 -
3OAX
17
OPSD_BOVIN
A:
[42-333]
---------------------------------------------------------
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
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
PI
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
CG
K
-------------
N
P
L
G
D
D
E
A
S
T
T
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
84.21
23%
-135
- C1 -
3DQB
6
GNAT1_BOVIN (first)
A:
[39-326]
---------------------------------------------------------
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
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
CG
K
-------------
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
84.10
23%
-135
- C1 -
3PQR
10
OPSD_BOVIN
A:
[39-326]
---------------------------------------------------------
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
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
CG
K
-------------
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
84.04
23%
-132
- C1 -
3CAP
5
OPSD_BOVIN
A:
[39-326]
---------------------------------------------------------
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
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
CG
K
-------------
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
83.48
23%
-130
- C1 -
4J4Q
9
GNAT1_BOVIN (first)
A:
[39-326]
---------------------------------------------------------
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
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
CG
K
-------------
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
83.42
23%
-131
- C1 -
3PXO
5
OPSD_BOVIN
A:
[39-326]
---------------------------------------------------------
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
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
CG
K
-------------
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
82.39
18%
-125
- C1 -
2KS9
1
NK1R_HUMAN
A:
[34-326]
---------------------------------------------------------
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
NPD
L
----
Y
---
L
KKFI
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
82.34
23%
-50
- C- -
3C9L
13
OPSD_BOVIN
A:
[39-332]
---------------------------------------------------------
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
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
PIFM
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
CG
K
-------------
N
---
D
D
E
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
82.06
23%
-135
- C1 -
4PXF
8
OPSD_BOVIN
A:
[39-326]
---------------------------------------------------------
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
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
CG
K
-------------
N
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
80.46
19%
-102
- 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
SPFEAPQYYLAE
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
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
QGSDFGPIF
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
CGKNPLGDDEA
S
T
T
V
S
K
T
E
T
S
Q
V
A
PA----------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
79.83
18%
-123
- C1 -
2Z73
5
OPSD_TODPA
A:
[32-337]
-------------------------------------
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
PLE
W
VT--
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
76.99
18%
-123
- C1 -
1U19
14
OPSD_BOVIN
A:
[39-328]
--------------------------------------
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
Q
QESA
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
DFG-
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
73.18
16%
-105
- C1 -
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
TKSP
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
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
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
31
HHSearch
70.29
17%
-111
- C1 -
2LNL
-
CXCR1_HUMAN
A:
[37-323]
-------------------------------------
L
N
K
----------------
Y
V
V
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
--
L
F
A
L
-
T
-
L
P
I
W
A
A
S
K
--
V
N
G
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
I
V
H
A
T
R
T
L
T
----
Q
K
R
H
L
V
K
F
V
C
L
G
C
W
G
L
S
M
N
L
S
L
P
F
F
L
F
R
Q
A
Y
H
-----
P
----
N
N
S
S
P
V
C
Y
E
V
L
G
N
D
---
T
-
A
--
K
W
-
R
M
V
L
R
I
L
P
H
T
F
G
F
I
V
P
L
F
V
M
L
-----------
F
C
Y
G
F
T
L
R
T
L
F
K
A
H
-----------
M
------------
G
Q
---------------------
K
H
R
A
M
R
V
I
F
A
V
V
L
I
F
L
L
C
W
L
----
P
Y
N
L
V
L
L
A
D
----
T
L
M
RT
Q
VIQE
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
69.54
13%
-111
- C1 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
-------------------
D
----------------
E
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
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
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
TGTWDAYKFCL
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
QDNLIR
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
PLIYCRS
P
D
F
R
I
A
F
Q
E
L
L
CL------------
27
HHSearch
61.34
22%
-138
- C1 -
3EML
8
ENLYS_BPT4
A:
[22-220]
--------------------------------------------------------
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
ED
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
58.42
21%
-133
- C1 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-225]
----------------------------------------------------------
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
R
G
I
L
R
N
A
K
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
57.96
18%
-129
- C1 -
2RH1
6
ADRB2_HUMAN (first)
A:
[38-234]
-------------------------------------
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
I
L
R
N
A
K
L
K
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
57.44
17%
-139
- C1 -
3UON
2
ACM2_HUMAN (first)
A:
[24-214]
--------------------------------------------------------
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
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------