@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 : OR2V2_HUMAN: (2016-01-13 )
METWVNQSYTDGFFLLGIFSHSTADLVLFSVVMAVFTVALCGNVLLIFLIYMDPHLHTPMYFFLSQLSLMDLMLVCTNVPKMAANFLSGRKSISFVGCGIQIGLFVCLVGSEGLLLGLMAYDRYVAISHPLHYPILMNQRVCLQITGSSWAFGIIDGLIQMVVVMNFPYCGLRKVNHFFCEMLSLLKLACVDTSLFEKVIFACCVFMLLFPFSIIVASYAHILGTVLQMHSAQAWKKALATCSSHLTAVTLFYGAAMFIYLRPRHYRAPSHDKVASIFYTVLTPMLNPLIYSLRNREVMGALRKGLDRCRIGSQH
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)
------METWVNQSYT-----D
G
F
F
---
L
L
G
I
FSHS
T
A
D
L
-------
V
L
F
S
V
V
M
A
V
F
T
V
A
L
C
G
---
N
V
L
L
I
F
L
I
YMDPHLH
T
P
M
Y
F
F
L
S
Q
L
S
L
M
D
L
M
L
V
CTN-
V
P
---
K
M
A
A
N
F
LSGR
K
S
I
S
F
V
GCG
I
Q
I
G
L
F
V
C
L
VGSEG
L
L
-
L
G
L
M
AYD
R
Y
V
AISHPLHY
P
I
LMN
Q
R
V
C
L
Q
I
TGSS
W
A
F
G
I
I
D
G
L
I
Q
M
V
V
V
MNFP-----
Y
C
G
L
R
K
V
N
H
F
F
C
E
M
L
S
L
L
K
L
ACV-------
D
T
S
L
F
E
K
V
I
----------
F
A
C
C
V
F
M
L
L
F
P
------
F
S
I
I
V
A
--------------
S
Y
A
H
I
L
G
T
V
-----------
L
Q
-
M
H
-
S
A
-----------
Q
--------------------
A
W
K
K
A
L
A
T
C
S
S
H
L
T
--
A
-------
V
T
L
F
YG
A
A
M
-----------------
F
I
Y
LRPRH-----YR----APS-
H
D
K
-------
V
A
S
I
F
-
Y
T
V
L
T
P
M
L
N
P
L
I
Y
S
LRN
R
E
V
M
G
A
L
R
K
G
L
--
D
RCRIGSQH---------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
90.73
22%
-149
- C4 -
2YDV
6
?
A:
[8-301]
-----------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
-
I
P
F
A
I
A
I
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
-----
L
T
A
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
P
K
E
G
K
A
H
S
Q
G
C
G
E
G
Q
V
A
C
-----------
L
F
E
D
V
V
P
M
N
Y
M
V
YF
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
-----------
K
Q
-
M
E
-
S
Q
--------------------------------------
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
Q
E
---------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
90.20
22%
-147
- C4 -
4UHR
1
AA2AR_HUMAN
A:
[8-301]
-----------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
-
I
P
F
A
I
A
I
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
-----
L
T
A
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
P
K
E
G
K
A
---
G
C
G
E
G
Q
V
A
C
-----------
L
F
E
D
V
V
P
M
N
Y
M
V
YFNF
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
-----------
K
Q
-
M
E
-
S
Q
-----------
P
L-------------------
P
G
E
R
A
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
------
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
Q
E
---------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
89.91
22%
-148
- C4 -
2YDO
3
?
A:
[8-301]
-----------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
-
I
P
F
A
I
A
I
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
-----
L
T
A
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
P
K
E
G
K
A
H
S
Q
G
C
G
E
G
Q
V
A
C
-----------
L
F
E
D
V
V
P
M
N
Y
M
V
YF
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
-----------
K
Q
-
M
E
-
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
Q
E
---------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
89.87
22%
-145
- C4 -
3UZA
1
AA2AR_HUMAN
A:
[8-301]
-----------------------------------------------
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
L
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
A
Q
S
S
I
F
S
-
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
A
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
P
--------
G
C
G
E
G
Q
V
A
C
-----------
L
F
E
D
V
V
P
M
N
Y
M
V
YFNF
F
A
C
V
L
V
P
L
L
L
M
------
L
G
V
Y
L
R
--------------
I
F
A
A
A
R
R
Q
L
-----------
K
Q
-
M
E
-
S
Q
-----------
P
L-------------------
P
G
E
R
A
R
S
T
L
Q
K
E
V
H
--
A
-------
A
K
---
S
A
A
I
I
A
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
A
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
89.82
22%
-148
- C4 -
3RFM
1
AA2AR_HUMAN
A:
[8-301]
-----------------------------------------------
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
L
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
A
Q
S
S
I
F
S
-
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
A
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
P
--------
G
C
G
E
G
Q
V
A
C
-----------
L
F
E
D
V
V
P
M
N
Y
M
V
YFNF
F
A
C
V
L
V
P
L
L
L
M
------
L
G
V
Y
L
R
--------------
I
F
A
A
A
R
R
Q
L
-----------
K
Q
-
M
E
-
S
Q
-----------
P
L-------------------
P
G
E
R
A
R
S
T
L
Q
K
E
V
H
--
A
-------
A
K
---
S
A
A
I
I
A
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
A
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
89.62
22%
-149
- C4 -
3REY
1
AA2AR_HUMAN
A:
[8-301]
-----------------------------------------------
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
L
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
A
Q
S
S
I
F
S
-
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
A
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
P
--------
G
C
G
E
G
Q
V
A
C
-----------
L
F
E
D
V
V
P
M
N
Y
M
V
YFNF
F
A
C
V
L
V
P
L
L
L
M
------
L
G
V
Y
L
R
--------------
I
F
A
A
A
R
R
Q
L
-----------
K
Q
-
M
E
-
S
Q
-----------
P
L-------------------
P
G
E
R
A
R
S
T
L
Q
K
E
V
H
--
A
-------
A
K
---
S
A
A
I
I
A
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
A
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
89.46
22%
-146
- C4 -
3PWH
1
?
A:
[8-301]
-----------------------------------------------
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
L
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
A
Q
S
S
I
F
S
-
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
A
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
P
--------
G
C
G
E
G
Q
V
A
C
-----------
L
F
E
D
V
V
P
M
N
Y
M
V
YFNF
F
A
C
V
L
V
P
L
L
L
M
------
L
G
V
Y
L
R
--------------
I
F
A
A
A
R
R
Q
L
-----------
K
Q
-
M
E
-
S
Q
-----------
P
L-------------------
P
G
E
R
A
R
S
T
L
Q
K
E
V
H
--
A
-------
A
K
---
S
A
A
I
I
A
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
A
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
88.83
22%
-145
- C4 -
3UZC
1
AA2AR_HUMAN
A:
[8-301]
-----------------------------------------------
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
L
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
A
Q
S
S
I
F
S
-
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
N
G
L
V
T
G
T
R
A
A
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
P
--------
G
C
G
E
G
Q
V
A
C
-----------
L
F
E
D
V
V
P
M
N
Y
M
V
YFNF
F
A
C
V
L
V
P
L
L
L
M
------
L
G
V
Y
L
R
--------------
I
F
A
A
A
R
R
Q
L
-----------
K
Q
-
M
E
-
S
Q
-----------
P
L-------------------
P
G
E
R
A
R
S
T
L
Q
K
E
V
H
--
A
-------
A
K
---
S
A
A
I
I
A
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
A
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
88.08
22%
-149
- C4 -
4UG2
3
?
A:
[8-301]
-----------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
-
I
P
F
A
I
A
I
S
T
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
-----
L
T
A
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
P
K
E
G
K
A
H
S
Q
G
C
G
E
G
Q
V
A
C
-----------
L
F
E
D
V
V
P
M
N
Y
M
V
YF
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
-------------------------------------------------------
A
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
87.92
23%
-157
- C4 -
3VG9
8
?
A:
[8-301]
-----------------------------------------------
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
V
PMNYMVYFNF
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
-----------
K
Q
-
M
E
-
S
Q
-----------
P
L-------------------
P
G
E
R
A
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
86.74
23%
-156
- C4 -
3VGA
1
AA2AR_HUMAN
A:
[8-301]
-----------------------------------------------
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
V
P
M
N
Y
M
V
YFNF
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
-----------
K
Q
-
M
E
-
S
Q
-----------
P
L-------------------
P
G
E
R
A
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
38
Fugue
83.32
17%
-141
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
------
M
N
G
T
E
G
P
N
F
Y
VPFSN
K
T
G
V
---
V
R
S
P
F
E
A
P
Q
Y
Y
L
AE
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
VSKTETS
Q
V
A
P
A---------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
82.27
15%
-141
- C4 -
2Z73
5
OPSD_TODPA
A:
[34-333]
--------------------------------------
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
39
Fugue
82.01
16%
-129
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
-----
T
G
V
V
RSP
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
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
KEAAAQQQESA
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
TETSQVAPA-----------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
75.70
18%
-130
- C4 -
2LNL
-
CXCR1_HUMAN
A:
[41-323]
-----------------------------------------------
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
RTQV
I
Q
E
S
C
E
R
R
N
N
I
G
R
A
L
-----
D
A
T
E
I
-
L
G
F
L
H
S
C
L
N
P
I
I
Y
A
F
I
G
Q
N
F
R
H
G
F
L
K
I
L
--
A
M
H
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
74.89
15%
-137
* C4 *
2KS9
1
NK1R_HUMAN
A:
[35-326]
------------------------------------------------
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
GDSSDRYH
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
DLY-
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
73.86
15%
-125
- C4 -
1U19
14
OPSD_BOVIN
A:
[42-329]
-----------------------------------------------
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
GSD-
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
---------------------------------------------------------------------------------------------------------------------------------------------------------
40
Fugue
73.77
17%
-128
- C4 -
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
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
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
44
Fugue
69.59
14%
-126
- C4 -
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
DD
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
HSGSN
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
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
NG
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
M
G
E
T
G
V
A
G
F
T
--
N
S
L
R
M
L
Q
Q
K
RW
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---------------
19
PsiBlast_PDB
65.87
24%
-144
- C4 -
4EIY
22
AA2AR_HUMAN (first)
A:
[33-216]
-----------------------------------------------
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
P
K
E
G
K
N
H
S
Q
G
C
G
E
G
Q
V
A
C
-----------
L
F
E
D
V
V
P
M
N
Y
M
V
YFNF
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
-----------
A
D
-
L
E
-
D
N
-----------
W
--------------------
E
T
L
N
D
N
L
K
V
I
E
K
A
D
--
N
-------
A
A
Q
V
K
D
A
L
T
-----------------
K
M
R
A
A
A
L
D
-----
A
Q
----
K
M
K
-
D
F
R
-------
H
G
F
D
I
-
L
V
G
Q
I
D
D
A
L
K
L
A
N
E
G
K
V
K
E
A
Q
A
A
A
E
Q
L
K
--
T
T
R
N
A
Y
I
Q
K
---------------------------------------------------------------------------------------------------------------------------------------------------------