@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 : O5AL1_HUMAN: (2016-01-12 )
MCALKGFLEENFYTYSVAKGNHSTVYEFILLGLTDNAELQVTLFGIFLVVYLASFMGNFGLIMLIQISPQLHTPMYFFLSHLAFVDFSFTSSVAPNTLVNFLCEVKSITFYACAIQVCCFITFVVCELYLLSIMAYDRYVAICNPLLYVILIPRKCIKLIASTYVYGFTVGLVQTVATSYLSFCDSNVINHFYHDDVPLVALACSDTHVKELMLLIIAGFNTLCSLVIVLISYGFIFFAILRIHSAEGRQKAFSTSASHLTSITIFYGTIIFMYPQPKSSHSLNMDKVASVFNVVVIPTLNPLIYSLRNQEVKNALKRIIEKLCLAVK
Atome Classification :
(20 SA)
---.........10..-......20........30........40---.....-------...-.50.......--.60-........70........80...-----------------.....90..-..----------....--------100-..-------------.....110.......120.......130..--------------------.....140......-.-----150---........160--------------.......170----..-----.......180.......190.......-200...-------...--.210.......220-------------------.........230.......240...------------------------------------------------------------------------------------------------------------------------------------------------------------------.-------------------------------------------------------------------------------------------------------------------------------------------------------------------...250.......260...--------....270.......---280----------.------------.------.....-----------..290.......-300.----------....--..310.......320-----------------........-------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---MC
A
L
K
G
F
L
EEN
F
Y
-
T
Y
S
VAKGN
H
S
T
V
Y
E
F
I
L
LGLTDNA
E
L
Q
----
V
T
L
F
G
-------
I
F
L
-
V
V
Y
L
A
S
F
MGN--F
G
L
-
I
M
L
I
QISPQLH
T
P
M
Y
F
F
L
S
H
L
A
F
-----------------
V
D
F
SFTSSV-A
P
----------
N
T
L
V
--------
N
F
L
-
C
E
-------------VKS
I
T
F
Y
A
C
A
I
Q
V
C
C
F
I
T
F
V
V
C
E
L
Y
L
L
S
I
M
--------------------
A
Y
D
R
Y
V
A
I
C
N
P
L
L
Y
-
V
-----
I
-L---I
P
R
K
C
I
K
L
I
A
S
--------------
T
Y
V
Y
G
F
T
V
------
G
L
-----
V
Q
T
V
A
T
S
Y
L
S
F
C
D
S
N
V
I
N
H
F
YHDDV
P
L
-
V
A
L
ACS-------
D
T
H
--
V
K
E
L
M
L
L
I
I
A
G
F
---------------------
N
T
L
C
S
L
V
I
V
L
I
S
Y
G
F
I
F
F
A
I
L
R
IHS------------------------------------------------------------------------------------------------------------------------------------------------------------------A-------------------------------------------------------------------------------------------------------------------------------------------------------------------EG
R
Q
K
AFSTSASH
L
T
S
I
T
I
--------
F
Y
G
T
I
I
F
M
YPQPKS---S------------H------------S------L
N
M
D
K
-----------
V
A
S
V
F
N
V
V
V
IPT-
L
N
P
L
----------
I
Y
S
L
--
R
N
Q
E
V
K
N
A
L
K
R
I
I
-------------------
E
K
L
CLAVK-------------
42
HHSearch
85.03
18%
-147
- C6 -
3EML
13
ENLYS_BPT4
A:
[21-470]
-------------------------------------------
S
----
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
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTW
D
A
Y
R
S
T
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
K
E
V
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
--------
C
W
L
P
L
H
I
I
N
C
F
T
F
F
---
C
PDCS--------
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
--------------
35
HHSearch
84.59
18%
-135
- C6 -
2RH1
16
ADRB2_HUMAN (first)
A:
[40-477]
-------------------------------------------
V
----
V
G
M
G
I
-------
V
M
S
-
L
I
V
L
A
I
V
F
G
N
--
V
L
V
-
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
-----------------
A
D
L
V
M
G
L
A
V
-
V
P
----------
F
G
A
A
--------
H
I
L
-
M
K
-------------
M
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
--------------------
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
-
Q
-----
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
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYKFC--
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
DN----------
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
-------------------
53
Fugue
84.50
18%
-103
- C6 -
1U19
15
OPSD_BOVIN
A:
[4-349]
------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
E
P
W
Q
F
S
----
M
L
A
A
Y
-------
M
F
L
-
L
I
M
L
G
F
P
I
-
N
--
F
L
T
-
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
-----------------
A
D
L
F
M
V
F
G
G
-
F
T
----------
T
T
L
Y
--------
T
S
L
-
H
G
-------------
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
--------------------
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
-
F
-----
R
-
F
---
G
E
N
H
A
I
M
G
V
A
F
--------------
T
W
V
M
A
L
A
C
A
A
P
P
L
V
G
W
-----
S
R
Y
I
P
E
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
QGSDFGPIFM
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
-------------
52
Fugue
84.42
18%
-130
- C6 -
1F88
8
OPSD_BOVIN
A:
[1-348]
------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
Y
L
A
E
P
W
Q
F
S
----
M
L
A
A
Y
-------
M
F
L
-
L
I
M
L
G
F
P
I
N
F
--
L
T
L
-
Y
V
T
V
Q
H
K
K
-
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
-----------------
A
D
L
F
M
V
F
G
G
-
F
T
----------
T
T
L
Y
--------
T
S
L
-
H
G
-------------
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
--------------------
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
-
F
-----
R
-
F
---
G
E
N
H
A
I
M
G
V
A
F
--------------
T
W
V
M
A
L
A
C
------
A
--------------------
A
P
P
L
V
G
W
S
R
Y
I
P
E
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
---
D
------------
F
------------
G
------
P
I
F
M
T
-----------
I
P
A
F
F
A
K
T
S
A
-
V
-
Y
N
P
V
----------
I
Y
I
M
--
M
N
K
Q
F
R
N
C
M
V
T
T
L
-------------------
C
C
G
K
N
P
S
T
TVSKTETS
Q
V
A
P
A
36
HHSearch
78.82
16%
-135
- C6 -
3RZE
5
ENLYS_BPT4 (first)
A:
[9-443]
------------------------------------------------
M
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
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYLH-
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
R
E
R
K
A
A
K
Q
L
G
F
I
M
A
A
F
I
L
--------
C
W
I
P
Y
F
I
F
F
M
V
I
A
F
---
C
------------
K
NC----------
C
------
N
E
H
L
H
-----------
M
F
T
I
W
L
G
Y
I
N
S
T
-
L
N
P
L
----------
I
Y
P
L
--
C
N
E
N
F
K
K
T
F
K
R
I
L
-------------------
H
I
-------------------
33
HHSearch
78.31
16%
-129
* C6 *
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
------------------------------------------------
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
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYPP-
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
R
E
K
K
V
T
R
T
I
L
A
I
L
L
A
F
I
I
--------
T
W
A
P
Y
N
V
M
V
L
I
N
T
F
---
C
------------
A
PC----------
I
------
P
N
T
V
W
-----------
T
I
G
Y
W
L
C
Y
I
N
S
T
-
I
N
P
A
----------
C
Y
A
L
--
C
N
A
T
F
K
K
T
F
K
H
L
L
-------------------
M
--------------------
44
HHSearch
73.70
17%
-138
- C6 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
--------------------------------------------------
Y
A
L
-------
S
Y
C
-
A
L
I
L
A
I
V
F
G
N
--
G
L
V
-
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
L
V
V
S
L
A
V
-----------------
A
D
L
L
V
A
T
L
V
-
M
P
----------
W
V
V
Y
--------
L
E
V
T
G
G
-------------
V
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
--------------------
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
-
Q
-----
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
--------------
V
W
V
L
A
F
A
V
------
S
C
-----
P
L
L
F
G
F
N
T
-------
T
G
D
P
T
V
C
S
I
S
N
--------------------
P
D
--
F
V
I
Y
S
S
V
V
---------------------
S
F
Y
L
P
F
G
V
T
V
L
V
Y
A
R
I
Y
V
V
L
K
Q
R
R
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
N
I
F
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
GTWDAYGVP
L
R
E
K
K
A
T
Q
M
V
A
I
V
L
G
A
F
I
V
--------
C
W
L
P
F
F
L
T
H
V
L
N
T
H
---
C
QTC---------
H
------------
V
------
S
P
E
L
Y
-----------
S
A
T
T
W
L
G
Y
V
N
S
A
-
L
N
P
V
----------
I
Y
T
T
--
F
N
I
E
F
R
K
A
F
L
K
I
L
-------------------
S
C
-------------------
40
HHSearch
71.96
15%
-107
- C6 -
1U19
14
OPSD_BOVIN
A:
[38-328]
-----------------------------------------
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
QQESA
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
QG
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
-------------
41
HHSearch
69.80
14%
-136
- C6 -
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
PLE---------
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
-------------
55
Fugue
69.77
17%
-178
- C5 -
4XGC
-
?
D:
[5-457]
D
R
E
L
V
S
I
R
R
F
L
K
E
R
L
Q
-
R
D
Y
T
T
L
R
G
Y
A
K
E
R
S
N
V
R
L
L
L
Q
R
T
A
E
M
G
E
S
N
S
L
L
L
L
G
P
RGSG
K
T
T
L
I
-
N
S
V
L
A
D
L
L
P
N
K
S
F
G
E
N
T
L
I
V
H
L
D
G
N
L
H
T
D
D
R
V
A
L
K
S
I
T
V
Q
M
QLENAADGKVFGS
F
A
E
N
L
A
F
L
L
Q
C
-
L
K
----------
S
K
S
V
--------
I
F
I
-
L
E
E
F
D
L
F
C
A
HHNQ
T
L
L
Y
N
L
F
D
V
S
Q
S
A
Q
A
P
I
C
V
L
G
V
T
C
R
L
D
V
I
E
L
L
E
K
R
V
K
S
R
FSHRQ
V
F
L
F
PSLR
R
F
E
D
Y
V
D
L
C
R
D
L
L
S
-
L
P
T
G
N
S
L
-
L
---
L
A
A
E
K
I
Y
N
L
Q
N
IQSGALYFSRNHFD
P
G
E
Y
G
F
S
P
------
R
L
-----
R
D
A
W
N
K
Q
I
C
K
V
L
A
T
---
Q
Q
A
R
S
T
L
Q
A
L
-
H
D
F
D
I
S
-------
E
A
Y
--
L
K
N
F
L
F
R
L
V
A
H
L
RPQSPHIT
A
E
K
M
A
A
V
G
S
Q
F
E
G
D
D
K
I
E
L
L
C
G
L
S
V
L
E
L
C
L
I
I
A
I
K
H
H
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
Y
D
R
D
S
F
N
--------
F
E
I
--------
I
Y
A
R
F
S
K
F
A
K
V
S
T
T
---
M
------------
Q
------------
A
------
V
E
R
S
I
-----------
V
L
K
A
F
E
H
L
R
I
A
E
L
I
M
P
L
TKVQKEF
E
M
H
K
L
A
L
--
T
Y
S
Q
I
H
H
C
M
Q
R
Y
Q
-------------------
A
L
P
T
E
V
A
Q
W
A
QSS--------
39
HHSearch
69.74
15%
-129
- C6 -
3V2Y
1
ENLYS_BPT4
A:
[61-495]
-----------------------------------------
N
S
I
----
K
L
T
S
V
-------
V
F
I
-
L
I
C
C
F
I
I
L
E
N
--
I
F
V
-
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
Y
F
I
G
N
L
A
L
-----------------
S
D
L
L
A
G
V
A
Y
-
T
A
----------
N
L
L
L
--------
S
G
A
--
T
-------------
T
Y
K
L
T
P
A
Q
W
F
L
R
E
G
S
M
F
V
A
L
S
A
S
V
F
S
L
L
A
I
--------------------
A
I
E
R
Y
I
T
M
L
K
-----------------
N
N
F
R
L
F
L
L
I
S
A
--------------
C
W
V
I
S
L
I
L
------
G
G
-----
L
P
I
M
G
W
N
C
-------
I
S
A
L
S
S
C
S
T
V
L
P
-
L
------------------
Y
H
K
H
Y
I
L
F
C
T
T
---------------------
V
F
T
L
L
L
L
S
I
V
I
L
Y
C
R
I
Y
S
L
V
R
T
R
N
I
F
E
M
L
R
IDEGLRL
K
I
Y
K
D
TE
G
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYA
S
R
-
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
E
N
V
A
L
L
K
T
V
I
I
V
L
S
V
F
I
A
--------
C
W
A
P
L
F
I
L
L
L
L
D
V
G
---
C
------------
K
VKTC--------
D
------
I
L
F
R
A
-----------
E
Y
F
L
V
L
A
V
L
N
S
G
-
T
N
P
I
----------
I
Y
T
L
--
T
N
K
E
M
R
R
A
F
I
R
I
M
-------------------
G
R
P
L
-----------------
43
HHSearch
69.09
14%
-131
- C6 -
2KS9
1
NK1R_HUMAN
A:
[32-324]
-------------------------------------------
I
----
V
L
W
A
A
-------
A
Y
T
-
V
I
V
V
T
S
V
V
G
N
--
V
V
V
-
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
L
V
N
L
A
F
-----------------
A
E
A
S
M
A
A
F
N
-
T
V
----------
V
N
F
T
--------
Y
A
V
-
H
N
-------------
E
W
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
A
V
--------------------
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
-
R
-----
L
-----
S
A
T
A
T
K
V
V
I
C
V
--------------
I
W
V
L
A
L
L
L
------
A
F
-----
P
Q
G
Y
Y
S
T
T
-----
E
T
M
P
S
R
V
V
C
M
I
E
W
P
-
E
H
P
----------
N
K
I
--
Y
E
K
V
Y
H
I
C
V
T
V
L
---------------------
I
Y
F
L
P
L
L
V
I
G
Y
A
Y
T
V
V
G
I
T
L
W
A
S
E
I
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
---
N
------------
P
------------
D
LYLKKF
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
-------------
45
HHSearch
62.53
14%
-108
- C6 -
2LNL
-
CXCR1_HUMAN
A:
[38-323]
------------------------------------------
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
-----------------
56
Fugue
61.08
19%
-120
- C3 -
4E1S
14
EAE_ECO57
A:
[1-242]
-----
Q
H
Y
G
T
A
E
V
N
L
Q
-
S
G
N
N
F
D
G
---
S
S
L
D
F
L
L
P
F
Y
D
S
E
K
M
L
A
----
F
G
Q
V
G
-------
A
R
Y
-
I
--
D
S
R
F
T
A
N
--
L
G
A
-
G
Q
R
F
F
L
P
A
N
-------
M
L
G
Y
N
V
F
-----------------
I
D
Q
D
F
S
G
D
--------------
N
T
R
L
--------
G
I
G
-
G
E
-------------
Y
W
R
-------------------
D
Y
F
K
S
S
V
N
--------------------
G
Y
F
R
M
S
G
-----
W
H
-
E
-----
S
-
Y
---
N
K
K
D
Y
D
E
R
P
A
N
--------------
G
F
D
I
R
F
N
G
------
Y
L
----------
P
S
Y
P
A
L
G
A
K
L
I
Y
E
Q
Y
Y
G
D
N
V
A
L
-
F
N
---
S
-------
D
K
L
--
Q
S
N
P
G
A
A
T
V
G
V
N
---------------------
Y
T
P
I
P
L
V
T
M
G
I
D
Y
R
H
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
G
N
E
N
D
L
L
--------
Y
S
M
Q
F
R
Y
Q
F
D
K
S
W
S
---
Q
------------
Q
------------
I
------
E
P
Q
------------------
Y
V
N
E
L
R
T
-
L
S
G
S
----------
R
Y
D
L
VQ
R
N
N
N
I
------------------------------
I
L
E
Y
K
-------------
34
HHSearch
61.00
12%
-129
- C6 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-497]
-----------------------------------------
F
N
K
----
I
F
L
P
T
-------
I
Y
S
-
I
I
F
L
T
G
I
V
G
N
--
G
L
V
-
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
R
L
H
L
S
V
-----------------
A
D
L
L
F
V
-
I
T
-
L
P
----------
F
W
A
V
--------
D
A
V
--
A
-------------
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
--------------------
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
-
Q
-----
R
P
R
---
K
L
L
A
E
K
V
V
Y
V
G
--------------
V
W
I
P
A
L
L
L
------
T
I
-----
P
D
F
I
F
A
N
V
-----
S
E
A
D
D
R
Y
I
C
D
R
F
Y
P
-
N
-------------
D
L
--
W
V
V
V
F
Q
F
Q
H
I
M
V
---------------------
G
L
I
L
P
G
I
V
I
L
S
C
Y
C
I
I
I
S
K
L
S
H
S
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
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
F
H
C
C
-
L
N
P
I
----------
L
Y
A
F
--
L
G
A
K
F
K
T
S
A
Q
H
A
L
-------------------
T
S
G
R
P
L
E
V
-------------
20
PsiBlast_PDB
60.16
26%
-162
- C6 -
2Y01
9
ADRB1_MELGA
A:
[6-162]
------------------------------------
L
S
Q
Q
W
E
A
G
----
M
S
L
L
M
-------
A
L
V
-
V
L
L
I
V
A
--
G
N
--
V
L
V
-
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
-----------------
A
D
L
V
V
G
L
L
V
-
V
P
F
G
--------
A
T
L
V
V
R
GTWLWG
S
F
L
-
C
E
-------------
L
W
T
------
S
L
D
V
L
C
----
V
T
A
S
I
E
T
L
C
V
I
--------------------
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
-
Q
-----
S
-
L
---
M
T
R
A
R
A
K
V
I
I
C
--------------
T
-
V
W
A
I
--------------------
S
A
L
V
S
F
L
P
--
I
M
M
H
W
W
R
D
E
D
P
--
Q
A
L
K
C
Y
-------
Q
D
P
--
G
C
C
D
F
V
T
N
R
A
Y
A
---------------------
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
Q
S
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
--------
I
I
M
G
V
F
T
L
C
W
L
P
F
F
---
L
------------
V
------------
N
------
I
V
N
V
F
-----------
N
R
D
L
V
P
D
W
L
F
V
A
-
F
N
W
L
----------
G
Y
A
N
--
S
A
M
N
P
I
I
Y
C
R
S
P
D
-------------------
F
R
K
A
F
K
R
L
-------------
19
PsiBlast_PDB
59.82
26%
-165
- C6 -
2Y00
10
ADRB1_MELGA
A:
[6-162]
------------------------------------
L
S
Q
Q
W
E
A
G
----
M
S
L
L
M
-------
A
L
V
-
V
L
L
I
V
A
--
G
N
--
V
L
V
-
I
A
A
I
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
-----------------
A
D
L
V
V
G
L
L
V
-
V
P
F
G
--------
A
T
L
V
V
R
GTWLWG
S
F
L
-
C
E
-------------
L
W
T
------
S
L
D
V
L
C
----
V
T
A
S
I
E
T
L
C
V
I
--------------------
A
I
D
R
Y
L
A
I
T
S
P
F
R
Y
-
Q
-----
S
-
L
---
M
T
R
A
R
A
K
V
I
I
C
--------------
T
-
V
W
A
I
--------------------
S
A
L
V
S
F
L
P
--
I
M
M
H
W
W
R
D
E
D
P
--
Q
A
L
K
C
Y
-------
Q
D
P
--
G
C
C
D
F
V
T
N
R
A
Y
A
---------------------
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
Y
R
E
------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
Q
S
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
--------
I
I
M
G
V
F
T
L
C
W
L
P
F
F
---
L
------------
V
------------
N
------
I
V
N
V
F
-----------
N
R
D
L
V
P
D
W
L
F
V
A
-
F
N
W
L
----------
G
Y
A
N
--
S
A
M
N
P
I
I
Y
C
R
S
P
D
-------------------
F
R
K
A
F
K
R
L
-------------
1
PsiBlast_PDB
59.02
23%
-160
- C6 -
4IAQ
1
5HT1B_HUMAN (first)
A:
[20-179]
-------------------------------------------
K
----
V
L
L
V
M
-------
L
L
A
-
L
I
T
L
A
T
T
L
S
N
--
A
F
V
-
I
A
T
V
Y
R
T
R
K
L
H
T
P
A
N
Y
L
I
A
S
L
A
V
-----------------
T
D
L
L
V
S
I
L
V
-
M
P
----------
I
S
T
M
--------
Y
T
V
-
T
G
-------------
R
W
T
L
G
Q
V
V
C
D
F
W
L
S
S
D
I
T
C
C
T
A
S
I
W
H
L
C
V
I
--------------------
A
L
D
R
Y
W
A
I
T
D
A
V
E
Y
S
A
-----
K
-
R
---
T
P
K
R
A
A
V
M
I
A
L
--------------
V
W
V
F
S
I
S
I
------
S
L
P
P
FFW
R
Q
A
------
S
E
C
V
V
N
T
D
H
I
L
Y
T
V
Y
S
T
V
-
G
A
F
Y
F
P
-------
T
L
L
--
L
I
A
L
Y
G
R
I
Y
V
E
A
---------------------
R
S
R
I
A
D
L
E
D
N
W
E
T
L
N
D
N
L
K
V
I
N
A
A
Q
------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
D
A
L
T
K
M
R
A
A
A
L
D
A
Q
K
A
T
P
--------
D
S
P
E
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
Y
L
L
M
-------------------
A
A
R
E
R
K
A
T
-------------
2
PsiBlast_PDB
58.94
23%
-158
- C6 -
4IAR
1
C562_ECOLX
A:
[20-179]
-------------------------------------------
K
----
V
L
L
V
M
-------
L
L
A
-
L
I
T
L
A
T
T
L
S
N
--
A
F
V
-
I
A
T
V
Y
R
T
R
K
L
H
T
P
A
N
Y
L
I
A
S
L
A
V
-----------------
T
D
L
L
V
S
I
L
V
-
M
P
----------
I
S
T
M
--------
Y
T
V
-
T
G
-------------
R
W
T
L
G
Q
V
V
C
D
F
W
L
S
S
D
I
T
C
C
T
A
S
I
W
H
L
C
V
I
--------------------
A
L
D
R
Y
W
A
I
T
D
A
V
E
Y
S
A
-----
K
-
R
---
T
P
K
R
A
A
V
M
I
A
L
--------------
V
W
V
F
S
I
S
I
------
S
L
P
PFFW
R
Q
A
------
S
E
C
V
V
N
T
D
H
I
L
Y
T
V
Y
S
T
V
-
G
A
F
Y
F
P
-------
T
L
L
--
L
I
A
L
Y
G
R
I
Y
V
E
A
---------------------
R
S
R
I
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
A
T
P
P
K
L
E
D
K
S
P
D
S
---
P
------------
E
------------
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
-------------
13
PsiBlast_PDB
55.80
28%
-165
- C6 -
4QKX
2
ADRB2_HUMAN
A:
[179-302]
-----------------------------------------
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
C
I
L
T
KT
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
------------------------------------------