@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 : O5AN1_HUMAN: (2016-01-12 )
MTGGGNITEITYFILLGFSDFPRIIKVLFTIFLVIYITSLAWNLSLIVLIRMDSHLHTPMYFFLSNLSFIDVCYISSTVPKMLSNLLQEQQTITFVGCIIQYFIFSTMGLSESCLMTAMAYDRYAAICNPLLYSSIMSPTLCVWMVLGAYMTGLTASLFQIGALLQLHFCGSNVIRHFFCDMPQLLILSCTDTFFVQVMTAILTMFFGIASALVIMISYGYIGISIMKITSAKGRSKAFNTCASHLTAVSLFYTSGIFVYLSSSSGGSSSFDRFASVFYTVVIPMLNPLIYSLRNKEIKDALKRLQKRKCC
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)
-------------MTGGG
N
I
T
E
I
T
-
Y
F
I
L
LGFS
D
F
P
R
I
I
K
V
L
F
T
------
I
-
F
L
V
I
Y
I
T
S
L
AW
N
L
S
L
I
V
L
I
RMDSHLH
T
P
M
Y
F
F
L
SNL
S
F
I
D
V
C
Y
I
S
S
T
-
V
----
P
K
M
L
S
N
L
L
-
Q
E
Q
Q
T
I
T
F
V
G
C
I
---
I
Q
Y
F
-----
I
F
S
TMGL
S
E
S
C
L
M
T
A
-----
M
A
Y
D
R
--
Y
A
A
I
C
N
P
--
L
-----
L
Y
S
S
I---M-S
P
T
------
L
C
-
V
W
M
V
L
G
----
A
Y
M
T
G
L
T
A
S
L
-
F
Q
I
G
A
L
L
Q
LHFC-------
G
-
S
N
V
I
R
H
--------
F
F
CD
M
--------
P
Q
L
L
I
L
SC-------
T
D
T
F
--
F
V
Q
V
M
T
A
I
L
T
M
F
F
G
I
A
-----
S
A
L
V
I
M
I-----S--YG
Y
I
G
I
S
I
M
K
ITS------------------------------------------------------------------------------------------------------------------------------------------------------------------A-------------------------------------------------------------------------------------------------------------------------------------------------------------------K--GR
S
K
A
-
F
N
T
C
A
S
H
L
T
A
V
S
L
F
YT--S
G
I
F
V
Y
L
SSSSG------------G------------S------
S
S
F
D
R
-----------
F
-
A
S
V
F
Y
T
V
V
I
---
P
M
L
-
N
P
L
I
Y
S
LR
N
K
E
I
K
D
A
L
K
R
L
Q
KRKCC----------------------
32
HHSearch
85.07
18%
-138
- C3 -
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
----------------------
29
HHSearch
84.57
18%
-132
* C3 *
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
----------------------
24
HHSearch
83.88
18%
-137
- C3 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
----------------------------------------
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
-------------------------
27
HHSearch
83.64
15%
-146
- C3 -
3EML
13
ENLYS_BPT4
A:
[21-469]
--------------------------------------
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
----------------------
23
HHSearch
83.11
17%
-137
- C3 -
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
TGTWDAYKF-
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
NL----------
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
-------------------------
21
HHSearch
80.41
14%
-133
- C3 -
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
AP----------
C
------------
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
--------------------------
40
Fugue
78.94
13%
-115
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
-MN
G
T
E
G
PNFYVP
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
DYYTP
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
C
G
K
N
PLGDDEA
S
T
T
V
S
K
TETSQVAPA
39
Fugue
77.70
14%
-134
- C3 -
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
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
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
PSTTVSKTETS
Q
V
A
P
A------
33
HHSearch
74.51
15%
-126
- C3 -
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
-----------------------
22
HHSearch
73.43
16%
-134
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-495]
------------------------------------
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
----------------------
28
HHSearch
71.20
17%
-129
- C3 -
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
-----------------------
30
HHSearch
69.12
14%
-118
- C3 -
1U19
14
OPSD_BOVIN
A:
[39-326]
-------------------------------------
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
QQQESA
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
QGS---------
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
----------------------
47
Fugue
68.77
19%
-106
- C1 -
4PEV
1
?
A:
[52-421]
----P
I
S
V
L
V
L
F
D
V
G
G
R
G
D
L
S
F
N
D
M
A
A
L
G
A
D
R
A
A
E
E
L
G
V
D
V
V
F
Q
T
P
QSLA
V
M
E
S
V
L
D
A
A
S
R
S
G
E
Y
D
L
I
V
L
V
--
G
F
L
W
Q
E
P
L
E
K
V
A
P
R
Y
P
E
Q
K
Y
A
L
I
D
A
A
-
T
RERY
D
N
V
A
S
Y
L
F
-
R
E
Q
E
V
A
S
L
V
G
I
I
A
A
D
I
A
N
N
-----
I
S
K
A
T
G
E
E
A
K
A
G
A
V
A
GMDI
P
P
L
W
R
F
--
H
I
G
Y
L
Y
G
--
V
-----
Q
Y
Y
N
Q
---
A
M
G
T
D
------
V
E
M
V
W
T
Y
T
G
RFDD
P
T
L
G
K
T
T
A
E
Q
M
L
Q
Q
G
--
V
R
V
F
Y
G
VA
G
L
T
H
V
G
M
F
N
A
V
K
E
A
A
A
R
G
V
I
A
F
S
I
G
Q
DASQEWYD
P
Q
T
I
I
I
S
G
-------
L
K
R
V
--
D
V
A
V
Y
T
A
I
K
D
V
V
E
G
R
F
-----
R
G
G
I
V
S
L
-----
G
LK
E
G
G
L
G
L
S
D
E
E
I
I
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
--
A
E
I
A
A
E
T
G
Q
L
P
E
G
L
T
P
E
K
V
V
E
I
V
M
S
Q
R
E
K
W
I
S
--
N
D
------------
G
------------
W
------
R
L
V
E
E
-----------
L
-
K
Q
K
I
I
S
G
E
I
---
K
F
V
-
T
P
Q
D
H
D
-
T
Y
D
S
I
I
E
E
L
K
A
G
N
L
E
A
A
L
E---------------------
31
HHSearch
67.74
14%
-135
- C3 -
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
-------------------------
42
Fugue
62.56
12%
-136
* C2 *
3PVT
2
PAAA_ECOLI
A:
[1-304]
-------------
M
R
S
-------------
T
Q
E
E
R
F
E
Q
R
I
A
Q
E
T
A
------
I
-
E
P
Q
---
D
W
M
P
D
A
Y
R
K
T
L
I
R
Q
I
G
Q
H
A
H
S
E
I
V
G
M
L
P
E
G
N
W
I
T
R
A
P
T
L
R
R
-
K
----
A
I
L
L
A
K
V
Q
-
D
E
A
G
H
G
L
Y
L
Y
S
A
---
A
E
----------
T
L
G
C
A
R
E
D
I
Y
Q
K
-----
M
L
D
G
R
MK
Y
S
S
I
F
N
Y
PT
L
-----
S
W
A
D
I
---
G
-
V
I
G
------
W
L
-
V
D
G
A
A
I
----
V
N
Q
V
A
L
C
R
T
S
-
Y
G
P
Y
A
R
A
M
V
K
I
C
-------
K
-
E
E
S
F
H
Q
--------
R
Q
G
F
E
--------
A
C
M
A
L
A
Q
G
-------
S
E
A
Q
--
K
Q
M
L
Q
D
A
I
N
R
F
W
W
P
A
L
M
MFGP
N
D
D
N
S
P
N
-----
S
--
A
R
S
L
T
W
K
I
K
R
F
T
N
------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
--
L
R
Q
R
F
-
V
D
N
T
V
P
Q
V
E
M
L
G
M
T
V
P
--
D
P
D
L
H
F
D
T
E
S
--------------
G
------------
H
------
Y
R
F
G
E
-----------
I
D
W
Q
E
F
N
E
V
I
N
GRG
I
C
N
-
Q
E
R
L
D
A
K
R
K
A
W
E
E
G
T
W
V
R
E
A
A
L
A
H
A
Q
K--------------------
43
Fugue
61.77
14%
-166
* C1 *
1FQ0
2
ALKH_ECOLI
A:
[1-213]
-------------
M
K
N
W
K
T
-----------------
S
A
E
S
I
L
T
T
------
G
-
P
V
V
P
V
I
V
V
K
K
L
E
H
A
V
P
M
A
K
A
L
V
A
----------
G
G
V
R
V
L
E
V
T
L
R
T
E
C
-
A
----
V
D
A
I
R
A
I
A
-
K
E
V
P
E
A
I
V
G
A
G
T
---
V
L
N
-----------------------------
P
Q
--
Q
L
A
E
V
T
E
--
A
-----
G
A
Q
F
A
---
I
-
S
P
G
------
L
--------------------------------------------------------------------------------------
T
E
P
L
--
L
K
A
A
T
E
G
T
I
P
L
I
P
G
I
S
-----
T
V
S
E
L
M
L
-----
G
--
M
D
Y
-
G
L
K
E
F
K
F
F
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
AN
G
G
V
K
A
-
L
Q
A
I
A
G
P
F
S
Q
V
R
F
C
P
T
--
G
G
I
------
S
P
A
------------
N
------------
Y
------
R
D
Y
L
A
-----------
L
-
K
S
V
L
C
I
G
G
S
---
W
L
V
P
A
D
A
L
E
A
G
D
Y
D
R
I
T
K
L
A
R
E
A
V
E
G
A
K
L
----------------------
20
PsiBlast_PDB
61.05
24%
-136
- C3 -
4LDE
3
A:
[200-365]
---------------------------------------------------------------
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
----------------------
18
PsiBlast_PDB
60.48
24%
-133
- C3 -
4GBR
1
ADRB2_HUMAN
A:
[23-188]
---------------------------------------------------------------
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
--
I
D
K
F
C
-
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
----------------------
9
PsiBlast_PDB
60.33
23%
-137
- C3 -
3SN6
1
R:
[200-388]
---------------------------------------------------------------
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
TSIDV
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
KARVII
L
M
-
V
W
I
V
---------
S
G
L
T
S
F
L
------
P
I
Q
M
H
W
Y
-------
R
----
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
FVYSR
V
--
F
Q
E
A
K
R
Q
L
Q
K
I
D
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
--
G
R
C
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
----------------------
16
PsiBlast_PDB
59.64
24%
-134
- C3 -
3NY9
4
ADRB2_HUMAN (first)
A:
[59-224]
---------------------------------------------------------------
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
W
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
----------------------