@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 : O14I1_HUMAN: (2016-01-11 )
MDNLTKVTEFLLMEFSGIWELQVLHAGLFLLIYLAVLVGNLLIIAVITLDQHLHTPMYFFLKNLSVLDLCYISVTVPKSIRNSLTRRSSISYLGCVAQVYFFSAFASAELAFLTVMSYDRYVAICHPLQYRAVMTSGGCYQMAVTTWLSCFSYAAVHTGNMFREHVCRSSVIHQFFRDIPHVLALVSCEVFFVEFLTLALSSCLVLGCFILMMISYFQIFSTVLRIPSGQSRAKAFSTCSPQLIVIMLFLTTGLFAALGPIAKALSIQDLVIALTYTVLPPFLNPIIYSLRNKEIKTAMWRLFVKIYFLQK
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)
----------------MD
N
L
-----
T
K
V
T
E
F
L
L
M
E
----------------FSG
I
W
------
E
-------------
L
Q
V
L
H
A
G
L
F
L
-
L
-
I
Y
L
A
V
L
VGN
L
L
I
I
A
V
I
TLDQHL
H
---
T
P
M
Y
F
F
L
KN----L--
S
V
L
-
D
L
C
Y
I
S
V
T-V
P
K
S
I
R
N
S
L
-TRRS-S
I
S
Y
L
G
C
V
A
-
Q
V
Y
F
F
S
A
F
ASA
E
L
A
F
L
T
V
MSYD
R
Y
V
A
I
CHP------
L
Q
Y
R
A
V
---MT----SGGC
Y
Q
M
A
V
T
T
W
L
-
S
C
F
S
Y
---
A
A
V
H
T
G
N
-
M
F
R
E
-----
H
---
V
C
R
------
S
S
V
-
I
H
Q
F
F
R
D
I
P
H
V
L
A
L
V
S
C
--------
E
V
F
F
--
V
----
E
F
L
T
L
A
L
S
S
C
L
V
L
G
C
F
------------------
I
L
M
M
I
---
S
Y
F
-----
Q
I
-------
F
S
----------------
T
V
---------
L
RIPS-G-----------Q--------------------
S
R
A
K
A
FSTCS
P
Q
L
I
-----
V
------------------
I
---------------
M
L
F
L
T
T
G
-
L
F
A
A
L
G
P
I
A
K
A
-----------
L
-----------
S
--
I
---
Q
D
L
V
I
A
L
T
Y
T
VL
P
P
F
L
N
P
I
I
----
Y
S
LRN
K
E
I
K
T
A
M
W
-
R
L
F
V
------------------
K
I
Y
F
LQK-------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
88.53
19%
-146
- C1 -
1F88
8
OPSD_BOVIN
A:
[1-348]
MN
G
T
E
G
PNFYVPFSNK
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
G
M
Q
-
C
S
C
--------
G
I
D
Y
--
Y
TPHE
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
TVSKTETS
Q
V
A
P
A------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
84.65
15%
-142
- C1 -
2Z73
5
OPSD_TODPA
A:
[32-333]
--------------------------------------------------------------
A
-------------
V
Y
Y
S
L
G
I
F
I
G
-
I
-
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
---
T
P
A
N
M
F
I
I
N
----
L
--
A
F
S
-
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
C
F
-
L
K
K
W
-
I
F
G
F
A
A
C
K
V
-
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
------
M
A
A
S
K
K
---
M
S
----
H
R
R
A
F
I
M
I
I
F
V
W
L
-
W
S
V
L
W
---
A
I
G
P
I
F
G
-
W
G
A
Y
-----
T
---
L
----------
E
-
G
V
L
C
N
C
S
F
D
Y
I
S
-------------
R
D
S
T
--
T
----
R
S
N
I
L
C
M
F
I
L
G
F
F
G
P
I
------------------
L
I
I
F
F
---
C
Y
F
-----
N
I
-------
V
M
----------------
S
V
---------
S
N
H
E
K
-
E
-----------
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
N
A
E
M
R
L
A
K
I
S
I
V
I
V
S
-----
Q
------------------
F
---------------
L
L
S
W
S
P
Y
-
A
V
V
A
L
L
A
Q
F
G
P
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
-------------------------------------------------------------------------------------------------------------------------------------------
45
Fugue
81.83
20%
-118
- C1 -
1U19
15
OPSD_BOVIN
A:
[4-349]
----------------
M
N
G
T
-----
E
G
P
N
F
Y
V
P
F
S
NKTGVVRSPFEAPQYY
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
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
-
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
QGSD
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
CGKNPLGDDEA
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
81.67
16%
-140
- C1 -
2KS9
1
NK1R_HUMAN
A:
[34-324]
-------------------------------------------------------------------------------
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
N
P
-----------
D
LYL--------
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
-------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
80.75
16%
-132
- 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
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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
TEGYYTIGIGHLLTKSP
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
M
G
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-----
52
Fugue
79.23
20%
-129
- C2 -
1XIP
-
NU159_YEAST
A:
[1-381]
----------------
A
S
S
L
K
D
E
V
P
T
E
T
S
E
D
F
G
F
K
----------------
F
L
G
Q
K
------
Q
ILPSFNEKLPFAS
L
Q
N
L
D
I
S
N
S
K
-
S
-
L
F
V
A
A
S
G
S
K
A
V
V
G
E
L
Q
L
L
R
D
H
I
T
S
DS
T
P
L
T
F
K
W
E
K
----
E
I
P
D
V
I
-
F
V
C
F
H
G
D
Q
-
V
L
V
S
T
R
N
A
L
-
Y
S
L
D
--------
L
E
-
E
L
S
E
F
R
T
V
T
S
F
E
K
P
V
F
Q
L
K
N
V
N
N
T
L
V
I
L
N
S
------
V
N
D
L
S
A
---
L
D
LRTK
S
T
K
Q
L
A
Q
N
V
T
S
F
D
V
T
N
S
Q
L
---
A
V
L
L
K
D
R
-
S
F
Q
S
-----
F
---
A
W
R
------
N
G
E
M
E
K
Q
F
E
F
S
L
P
S
E
L
E
E
L
P
V
--------
E
E
Y
S
--
P
----
L
S
V
T
I
-
L
S
P
Q
D
F
L
A
V
F
G
N
V
I
S
ETDD
E
V
S
Y
D
Q
K
M
Y
I
I
K
H
I
DG
S
A
S
F
-----
Q
E
T
FDITPP
F
G
----------------
Q
I
---------
V
R
F
P
Y
M
Y
-----------
K
--------------------
V
T
L
S
G
L
I
E
P
D
A
N
V
N
-----
V
------------------
L
A
S
SCSS
E
V
S
I
W
DSK
Q
V
I
E
P
S
Q
D
-
S
E
R
A
V
L
P
I
S
E
E
-----------
T
-----------
D
--
K
---
D
T
N
P
I
G
V
A
V
D
V
V
T
S
G
L
-
P
L
V
----
Y
I
L
N
N
E
G
---------
S
L
------------------
Q
I
V
G
L
F
H
-------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
78.09
16%
-146
- C1 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
--------------SF
K
C
A
L
-----
T
K
T
G
--------------------------
F
------
Q
-------------
F
Y
Y
L
P
A
-
V
Y
I
-
L
-
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
H
M
K
P
W
---
S
G
I
S
V
Y
M
F
N
----
L
--
A
L
A
-
D
F
L
Y
V
-
L
T
-
L
P
A
L
I
F
Y
Y
F
-
N
K
T
D
W
I
F
G
D
A
M
C
K
L
-
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
-------
K
S
L
G
R
---
L
K
----
K
K
N
A
I
C
I
S
V
L
V
W
L
-
I
V
V
V
A
I
S
P
I
L
F
Y
S
G
T
-
G
V
R
K
-----
N
KTI
T
C
Y
------
D
T
T
-
S
D
E
Y
L
R
S
Y
F
I
Y
S
M
C
T
T
V
--------
A
M
F
C
--
V
----
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
------------------
I
Y
K
M
K
---
K
Y
T
C
TVCG
Y
I
-------
Y
N
PEDGDPDNGVNPGTDF
K
D
---------
I
V
C
P
L
-
C
-----------
G
--------------------
V
G
K
D
Q
F
E
E
V
E
E
P
L
R
-----
R
------------------
K
---------------
S
I
Y
L
V
I
I
-
V
L
T
V
F
A
V
---
S
-----------
Y
-----------
I
--
P
---
F
H
V
M
K
T
M
N
L
R
A
R
L
D
F
Q
T
P
A
M
----
C
A
F
N
D
R
V
Y
A
T
Y
Q
V
T
R
G
L
A
------------------
S
L
N
S
C
V
N
P
I
L
Y
F
LAGDTFRRR-----------------------------------------------------------------------------------------------------------------------------
35
HHSearch
75.31
19%
-125
- C1 -
1U19
14
OPSD_BOVIN
A:
[40-327]
-----------------------------------------------------------------------------
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
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
-------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
75.06
17%
-124
- 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
DD
R
Y
---
I
C
D
R
F
Y
PN
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
EG
Y
Y
T
I
GIG
H
L
L
T
K
-
S
-----------
P
--------------------
S
L
N
A
A
K
S
E
L
D
K
A
I
G
RNTNG
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
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
32
HHSearch
70.78
15%
-122
- 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
R
TQVIQE-----
S
C
E
R
R
-------
N
N
I
G
---
R
A
L
D
A
T
E
I
L
G
F
L
H
S
C
L
N
P
I
I
----
Y
A
F
I
G
Q
N
F
R
H
G
F
L
-
K
I
L
A
------------------
M
H
G
-----------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
70.27
21%
-146
- C1 -
2RH1
6
ADRB2_HUMAN (first)
A:
[40-235]
-----------------------------------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
69.28
22%
-132
* C2 *
1TL2
5
TAL2_TACTR
A:
[2-236]
----------------------------------------------------
G
G
E
S
------
M
-------------
L
R
G
V
Y
Q
D
K
F
Y
-
Q
G
T
Y
P
Q
N
K
N
D
N
W
L
A
R
A
T
L
I
G
K
G
G
W
S
---
N
F
K
F
L
F
L
S
P
GG
E
L
Y
--
G
V
L
N
D
K
I
Y
K
G
T
P
-
P
T
H
D
N
D
N
W
M
-
G
R
A
K
-
K
I
G
N
G
G
W
N
Q
F
Q
F
L
F
F
D
P
N
G
-----
Y
L
Y
A
V
S
K
D
K
L
Y
K
A
S
P
P
QSDTDN
W
I
A
R
A
T
---
E
V
----
G
S
G
G
W
S
G
F
K
F
L
F
F
-
H
P
N
G
Y
---
L
Y
A
V
H
G
-----------------------------
Q
Q
F
Y
K
A
L
P
--------------------------------------------------------------------------------------------------------
P
V
---------
S
N
Q
D
N
-
W
-----------
L
--------------------
A
R
A
T
K
I
G
Q
G
G
W
D
T
F
-----
K
------------------
F
---------------
L
F
F
S
S
V
G
T
L
F
G
V
Q
G
G
----------------------------------------
K
F
Y
E
D
Y
P
P
S
Y
A
Y
D
N
----
W
L
A
R
A
K
L
I
G
N
G
G
W
-
D
D
F
R
------------------
F
L
F
F
----------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
67.07
19%
-146
- C1 -
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
V
VP
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
-------------------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
66.08
19%
-137
* C1 *
3UON
2
ACM2_HUMAN (first)
A:
[25-215]
-------------------------------------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
65.48
20%
-136
- C1 -
3RZE
2
ENLYS_BPT4 (first)
A:
[11-200]
--------------------------------------------------------------------------------
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
K
-------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
63.38
17%
-136
- C1 -
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
K
-------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
63.05
26%
-144
- C1 -
4LDL
3
ADRB2_HUMAN
A:
[169-308]
----------------------------------------------------
T
G
T
W
DAY
A
A
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
-
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
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
-------
Q
K
----------------
F
A
---------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
62.84
26%
-140
- C1 -
4LDE
3
A:
[169-308]
----------------------------------------------------
T
G
T
W
DAY
A
A
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
-
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
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
-------
Q
K
----------------
F
A
---------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
62.79
26%
-144
- C1 -
4LDO
3
A:
[169-308]
----------------------------------------------------
T
G
T
W
DAYA
A
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
-
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
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
-------
Q
K
----------------
F
A
---------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
61.29
18%
-134
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-239]
----------------------------------------------------------------------------
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
L
-------------------------------------------------------------------------------------------------------------------------------------------