@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 : O10G9_HUMAN: (2016-01-11 )
MSKTSLVTAFILTGLPHAPGLDAPLFGIFLVVYVLTVLGNLLILLVIRVDSHLHTPMYYFLTNLSFIDMWFSTVTVPKMLMTLVSPSGRAISFHSCVAQLYFFHFLGSTECFLYTVMSYDRYLAISYPLRYTSMMSGSRCALLATSTWLSGSLHSAVQTILTFHLPYCGPNQIQHYLCDAPPILKLACADTSANEMVIFVDIGLVASGCFLLIVLSYVSIVCSILRIHTSEGRHRAFQTCASHCIVVLCFFVPCVFIYLRPGSRDVVDGVVAIFYTVLTPLLNPVVYTLRNKEVKKAVLKLRDKVAHSQGE
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)
-------------MSK
T
S
L
V
T
A
F
I
L
TGLPH---------------A--PG--LD
A
P
L
F
G
I
F
L
V
--
V
Y
V
L
T
V
L
G
N
L
L
I
L
L
V
I
RVDSHLH
T
P
M
Y
Y
F
L
TN
L
S
F
I
D
M
W
F
S
TV
T
-
V
P
K
M
L
M
T
L
V---SPSG
R
A
I
S
F
H
S
C
V
A
Q
L
Y
F
F
H
F
LGST
E
C
F
L
Y
T
VMSYD
R
Y
L
--
A
I
SY
P
L
R
Y
-
T
SM---MSGS
R
C
A
L
L
A
T
S
T
WLS
G
S
L
H
S
-
A
V
Q
T
I
L
T
FHLP-----YC
G
P
N
Q
I
Q
H
Y
LCDAP---
P
I
------
L
K
L
A
CA-------DTS--AN
E
M
V
I
F
V
D
I
G
---
L
VAS
G
C
F
L
L
I
V
L
S
Y
V
S
I
V
C
S
I
L
R
I----HTS-----------E--------------------G
R
H
R
A
F
Q
T
C
A
S
H
C
I
V
V
L
C
F
F
V
---
P
C
V
F
I
Y
LRP----G--S----
R
---------
D
-----
V
---------
V
D
G
V
V
A
I
F
Y
T
V
L
T
P
L
L
N
P
V
V
Y
T
LR
N
K
E
V
K
K
A
V
L
K
L
R
D
----
K
V
AHSQGE----------------------------------------------------------------------------------------------------------------------------------------------------------
47
HHSearch
85.76
18%
-134
- C2 -
2Z73
5
OPSD_TODPA
A:
[31-332]
------------------------------------------------
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
FG
P
LE--
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
V
S
H
P
K
F
R
E
A
I
S
Q
T
F
P
----
W
V
L
T
C
C
Q
F
----------------------------------------------------------------------------------------------------------------------------------------------------------
45
HHSearch
83.39
15%
-136
- C2 -
2KS9
1
NK1R_HUMAN
A:
[33-324]
------------------------------------------------------
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
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
NP
D
--
L
----
Y
L--------
K
-----
K
FI
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
53
Fugue
82.49
16%
-139
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNFYVPF
S
N
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
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
S
T
T
VSKTETS
Q
V
A
P
A----------------------------------------------------------------------------------------------------------------------------------------------
54
Fugue
81.44
16%
-128
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
-------------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
GVVRSPFEAPQYYLA
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
T
V
K
E
A
AAQQ
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
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
DEA
S
T
T
V
S
K
TETSQVAPA----------------------------------------------------------------------------------------------------------------------------------------
44
HHSearch
78.42
16%
-129
- C2 -
1U19
14
OPSD_BOVIN
A:
[36-328]
---------------------------------------------
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
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
SDF------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
62
Fugue
76.46
15%
-146
- C1 -
4R6Y
2
PHNS_SALTY
A:
[1-317]
--------------
S
M
E
S
V
V
T
V
Y
S
I
D
G
L
H
D
---------------
G
--
D
N
S
W
Y
Q
V
Q
F
D
A
F
T
K
A
TG
I
T
V
R
Y
V
E
G
G
G
G
V
V
V
E
R
L
A
K
E
R
T
N
P
Q
A
D
V
L
V
T
A
P
P
F
I
Q
R
A
A
A
E
K
L
-
L
A
N
F
N
T
D
T
A
---
S
A
I
P
D
A
N
N
L
Y
S
P
L
V
K
N
Y
-
L
S
F
I
Y
N
S
K
L
L
K
T
A
P
A
S
W
Q
D
L
L
DG
K
F
K
N
K
L
Q
Y
S
T
P
G
---
Q
A
A
D
G
T
A
V
M
L
Q
A
F
H
S
F
G
S
K
D
A
-
G
F
A
Y
L
G
K
L
Q
A
N
-----
N
V
G
P
S
A
S
T
G
K
L
T
A
L
V
N
K
G
E
I
Y
V
A
N
G
D
L
Q
M
N
L
A
-------
Q
M
E
--
R
N
P
N
V
K
I
F
W
P
A
---
N
D
K
G
E
R
S
A
L
A
I
P
Y
V
I
G
L
V
Q
G
A
P
Q
S
----
E
N
G
-----------
K
--------------------
K
L
I
N
F
L
L
S
K
E
A
Q
T
R
V
S
E
L
S
W
G
---
M
P
V
R
S
D
V
T
P
----
S
--
D
------------------------------------
E
H
Y
K
A
A
T
A
A
L
E
G
V
Q
S
W
Q
P
N
W
D
D
V
A
V
S
L
S
A
D
I
----
S
R
W
H
K
V
T
E
S---------------------------------------------------------------------------------------------------------------------------------------------------------
60
Fugue
70.89
13%
-120
- C2 -
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-
41
HHSearch
70.82
16%
-129
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[36-323]
------------------------------------------------
T
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
R
T
Q-
V
IQE
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------
59
Fugue
67.92
13%
-110
- C2 -
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
TKS
P
S
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
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
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
38
HHSearch
64.72
20%
-149
- C2 -
3EML
8
ENLYS_BPT4
A:
[22-221]
------------------------------------------------------
S
V
Y
I
T
V
E
L
A
--
I
A
V
L
A
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
A
-
I
P
F
A
I
T
I
S
T
------
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
--
A
I
R
I
P
L
R
Y
-
N
G
L
---
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
-
L
T
P
M
L
G
W
N
N
C
G
-----
Q
-------
S
Q
G
C
G
E
G
---
Q
---------
V
A
C
L
-------
F
E
D
VV
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
62.08
17%
-139
- C2 -
3UON
2
ACM2_HUMAN (first)
A:
[24-215]
------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
60.50
18%
-128
- C2 -
2RH1
6
ADRB2_HUMAN (first)
A:
[40-236]
-----------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
42
HHSearch
59.87
19%
-139
- C2 -
3PBL
1
DRD3_HUMAN (first)
A:
[41-226]
--------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
58.01
19%
-125
- C2 -
3RZE
2
ENLYS_BPT4 (first)
A:
[10-200]
-------------------------------------------------------
P
L
V
V
V
L
S
T
--
I
C
L
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
V
V
-
M
P
M
N
I
L
Y
L
L
---
M
S
-
K
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
A
S
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
--
S
V
Q
Q
P
L
R
Y
-
L
K
Y
---
R
T
K
T
R
A
S
A
T
I
L
G
A
W
F
L
S
F
L
W
V
-
I
P
I
L
G
W
-
N
H
-------------
R
R
E
D
K
C
E
T
D
---
F
Y
------
D
------------------
V
T
W
F
K
V
M
T
A
I
---
I
N
F
Y
L
P
T
L
L
M
L
W
F
Y
A
K
I
Y
K
A
V
R
Q
H
----
C
N
I
-----------
F
--------------------
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
56.80
18%
-126
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[45-239]
------------------------------------------------
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
----
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
46
HHSearch
56.72
17%
-135
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[60-250]
------------------------------------------------
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
56.27
26%
-153
- C2 -
4EIY
17
AA2AR_HUMAN (first)
A:
[39-155]
-------------------------------------------------------------
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
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
----
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
55.92
25%
-150
- C2 -
2YDO
1
?
A:
[14-130]
-------------------------------------------------------------
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
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
----
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
55.82
28%
-136
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[123-254]
-------------------------------------------------
G
--
L
K
V
T
I
V
G
L
Y
L
A
--
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
H
T
K
M
K
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
-
L
V
L
L
T
-
L
P
F
Q
G
T
D
I
L
LGF
W
P
F
G
N
A
L
C
-
K
T
V
I
A
I
D
Y
Y
N
M
F
---
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
--
A
I
C
H
P
-----------
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
-
V
P
V
A
I
M
G
S
A
Q
V
-----
E
D
E
E
I
E
C
L
V
E
I
P
T
P
Q
---
D
Y
------
W
G
P
V
F
A
-------
I
C
I
--
F
L
F
S
F
I
V
P
V
L
V
---
I
S
V
C
Y
S
L
M
I
R
R
L
R
G
V
R
L
L
S
G
S
R
E
K
----
D
R
N
-----------
L
--------------------
R
R
I
T
R
L
V
L
V
V
V
A
V
F
V
G
C
W
T
P
V
---
Q
V
F
V
L
A
Q
G
L
----
G
--
V
----
Q
---------
P
-----
S
---------
S
E
T
A
V
A
I
L
R
F
C
T
A
L
G
Y
V
N
S
C
L
N
P
I
L
Y
A
F
L
D
E
N
F
K
A
C
F
----
R
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
55.24
26%
-149
- C2 -
3QAK
1
ENLYS_BPT4
A:
[29-145]
-------------------------------------------------------------
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
G
C
G
E
G
Q
V
A
C
L
F
E
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
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
----------------------------------------------------------------------------------------------------------------------------------------------------------