@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 : OR6K6_HUMAN: (2016-01-14 )
MKQYSVGNQHSNYRSLLFPFLCSQMTQLTASGNQTMVTEFLFSMFPHAHRGGLLFFIPLLLIYGFILTGNLIMFIVIQVGMALHTPLYFFISVLSFLEICYTTTTIPKMLSCLISEQKSISVAGCLLQMYFFHSLGITESCVLTAMAIDRYIAICNPLRYPTIMIPKLCIQLTVGSCFCGFLLVLPEIAWISTLPFCGSNQIHQIFCDFTPVLSLACTDTFLVVIVDAIHAAEIVASFLVIALSYIRIIIVILGMHSAEGHHKAFSTCAAHLAVFLLFFGSVAVMYLRFSATYSVFWDTAIAVTFVILAPFFNPIIYSLKNKDMKEAIGRLFHYQKRAGWAGK
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.......330.......340.----------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MKQYSVGNQHS
N
Y
R
S
L
L
F
P
F
L
C
S
Q
M
T
Q
LTASG
N
Q
T
M
V
T
E
F
L
F
---------
S
MFPHAHRG
G
L
L
F
F
I
P
L
--------
L
L
I
Y
G
F
I
LTG
N
L
I
M
---
F
I
V
I
Q
V
G
M
A
---
L
H
T
P
L
Y
F
F
I
S
-
V
L
S
F
L
E
I
C
YTTT
T
-
I
P
K
M
L
S
C
L
I
-SEQKS
I
S
V
A
----
G
C
L
L
Q
M
Y
F
F
H
SLGI
T
E
S
C
V
--
L
T
A
M
A
I
D
R
Y
I
A
I
CN-PLRYPT
I
---
M
I
P
---
K
L
C
I
Q
L
T
V
G
S
C
F
C
G
F
L
L
V
L
P
E
I
A
W
-
I
STLP-----FCG-SN
Q
I
H
Q
I
FCDFT--------P
V
L
S
L
ACT
D
T
F
--
L
V
V
I
V
D
A
I
H
A
A
-
E
I
V
A
S
F
-----------------------
L
V
I
A
L
S
Y
I
R
I
I
--------
I
V
I
LGMHS------------------------------------------------------------------------------------------------------------------------------------------------------------------A-------------------------------------------------------------------------------------------------------------------------------------------------------------------E----
G
H
H
K
A
F
S
T
C
A
A
----
H
L
A
V
----
F
L
L
F
F
G
S
----------
V
A
V
M
Y
L
R
-
F
S
A
T
Y
------------
S
------------
V
-------
F
WD
T
A
I
A
V
-------
T
F
V
I
L
A
P
F
F
N
P
I
I
Y
S
LKNK
D
M
K
E
A
I
G
R
L
F
H
Y
Q
K
RAGWAGK----------------
28
HHSearch
85.97
16%
-167
- 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
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
--------------------------
31
HHSearch
82.38
18%
-164
- 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
TGTWDAYLHM--
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
------------
N
CC----------
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
81.09
18%
-165
- C3 -
3EML
13
ENLYS_BPT4
A:
[21-472]
------------------------------------------------------------
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
P
DCSH--------
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
--------------------
29
HHSearch
79.66
17%
-161
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[38-477]
----------------------------------------------------------
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
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
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
-------------------------
45
Fugue
79.52
16%
-143
- C3 -
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
KK
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
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
QGSDFG
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
V
S
KTETS
Q
V
A
P
A------
34
HHSearch
75.57
18%
-156
- C3 -
2Z73
5
OPSD_TODPA
A:
[31-334]
---------------------------------------------------------
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
F
G
P
LEW---------
V
------------
T
-------
P
Y
A
A
Q
L
P
V
-------
M
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
F
P
W
V
L
T
C
C
Q
F
D
D
----------------
46
Fugue
74.65
15%
-136
- C3 -
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
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
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
QGSDFG
P
I
F
M
T
I
P
A
-------
F
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
TETSQVAPA
47
Fugue
74.28
19%
-147
- C3 -
1ZY7
2
RED1_HUMAN
A:
[8-402]
----
S
R
Q
P
I
P
S
E
G
L
Q
L
H
L
P
Q
V
L
A
D
A
V
S
R
L
V
L
G
K
F
G
D
L
T
D
N
F
S
---------
S
--
P
H
A
R
R
K
V
L
A
G
V
V
M
T
T
G
TDVKDA
K
V
I
S
V
S
T
G
T
K
C
I
N
G
---
E
Y
M
S
D
R
G
L
A
---
L
N
D
C
H
A
E
I
I
S
-
R
R
S
L
L
R
F
L
Y
T
Q
---
L
E
L
Y
L
N
N
K
D
-
D
Q
K
R
S
I
F
Q
K
SERG
G
F
R
L
K
E
N
V
Q
F
H
L
Y
I
S
T
S
P
C
--
G
D
A
R
I
F
K
A
R
G
Q
L
R
T
-
K
I
E
S
G
E
G
---
T
I
P
VRS
N
A
S
I
Q
T
W
D
G
V
L
Q
G
E
R
L
L
T
M
S
C
S
D
K
-
I
A
R
W
N
-----
V
V
G
I
Q
G
S
L
L
S
I
F
V
E
----------
P
I
Y
-------
F
--
S
S
I
I
L
G
S
L
Y
H
G
-
D
H
L
S
R
A
-----------------------
M
Y
Q
R
I
S
N
I
E
D
L
PPLYTLNK
P
L
L
S
G
I
S
N
------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
A
RQP
G
K
A
P
N
F
S
V
N
W
T
VGDS
A
I
E
V
----
I
N
A
T
T
G
K
DELGRASRLC
K
H
A
L
Y
C
R
-
W
M
R
V
H
------------
G
------------
K
-------
V
P
S
H
L
L
R
S
-------
K
I
T
K
P
N
V
Y
H
E
S
K
L
A
A
K
E
Y
Q
A
A
K
A
R
L
F
T
A
F
I
K
A
G
L
G
A
W
V
E
K
PTEQDQFSLT------
35
HHSearch
74.10
18%
-168
- C3 -
3V2Y
1
ENLYS_BPT4
A:
[60-495]
---------------------------------------------------------
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
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
------------
V
KTC
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
-----------------------
37
HHSearch
71.29
15%
-163
- C3 -
2KS9
1
NK1R_HUMAN
A:
[32-325]
------------------------------------------------------------
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
G
D
Y
----------------
36
HHSearch
69.94
14%
-144
- C3 -
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
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
Q
GSD---------
F
------------
G
-------
P
I
F
M
T
I
P
A
-------
F
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
L
G
D
D
E
----------------
38
HHSearch
69.44
16%
-156
- 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
Q
TCH---------
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
-------------------------
39
HHSearch
66.94
15%
-157
- 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
------------
T
QVIQE
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
66.77
16%
-154
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[44-499]
--------------------------------------------------------
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
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
L
F
Q
----------------
51
Fugue
65.17
15%
-162
* C2 *
1ZEL
11
?
A:
[2-297]
A
M
V
V
S
P
A
G
A
D
R
R
I
P
T
W
A
S
R
V
V
S
G
L
A
R
D
R
P
V
V
V
T
K
E
D
L
T
Q
R
L
T
E
A
GCGRD
P
D
S
A
I
R
E
L
R
R
I
G
W
L
V
Q
L
P
V
--------
K
G
T
W
A
F
I
P
P
G
E
A
A
I
SDP
Y
L
P
L
R
S
W
L
A
---
R
D
Q
N
A
G
F
M
L
A
G
A
S
A
A
W
H
L
G
Y
L
D
R
Q
-
P
D
G
R
I
P
I
W
L
-
P
P
A
K
R
L
P
------------------------------
D
G
L
A
S
Y
V
S
V
V
R
I
P
W
N
A
A
D
T
---
A
L
L
---
A
P
R
P
A
L
L
V
R
R
R
-------
L
D
L
V
A
W
-
A
T
G
L
P
-----
A
L
G
-
P
E
A
L
L
V
Q
I
A
T
----------------
R
P
A
S
F
--
G
P
W
A
D
L
V
P
H
L
D
-
D
L
V
A
D
----------------------------
C
S
D
E
R
L
E
--------
R
L
L
S
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
P
T
S
A
W
----
Q
R
A
S
----
Y
L
L
D
S
G
G
----------
E
P
A
R
G
Q
A
-
L
L
A
K
R
-----------------------------------
H
T
E
V
M
P
-------
V
T
R
F
T
T
A
H
S
G
E
S
V
W
A
P
E
Y
Q
L
V
D
E
L
V
V
P
L
L
R
V
I
G
K
----------------------
54
Fugue
55.49
14%
-146
- C2 -
1LLQ
1
MAOM_ASCSU
A:
[2-295]
----
S
V
A
H
H
E
D
V
Y
S
H
N
L
P
P
M
D
E
K
E
M
A
L
Y
K
L
Y
R
P
E
R
V
------------------
T
P
K
K
R
S
A
E
L
L
K
E
P
R
--------
L
--------------------
N
K
G
M
G
---
F
S
L
Y
E
R
Q
Y
L
G
-
L
H
G
L
L
P
--
P
A
F
M
T
-
Q
E
Q
Q
A
Y
R
V
I
-
T
K
L
R
E
Q
P
------
N
D
L
A
R
Y
I
Q
L
D
G
L
Q
D
R
N
E
K
L
--
F
Y
R
V
V
C
D
H
V
K
E
L
M
P
-
I
V
Y
T
P
-----
T
V
G
---
L
A
C
Q
N
F
-------
G
Y
I
Y
R
K
P
K
G
L
Y
-
I
T
I
N
D
-----
N
-
S
-
V
S
K
I
Y
Q
I
L
S
N
W
H
--------
E
------
E
D
V
R
--
A
I
V
V
T
D
G
-----
E
R
I
L
G
L
-----------------------
G
D
L
G
A
Y
G
I
G
I
P
--------
V
G
K
L
A
L
Y
V
------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
----
G
G
V
Q
P
K
W
C
L
P
V
----
L
L
D
V
GTNN
M
D
L
L
N
D
P
----------
F
Y
I
G
L
R
H
-
K
R
V
R
G
------------
K
------------
D
-------
Y
D
T
L
L
D
N
F
-------
M
K
A
C
T
K
K
Y
G
Q
K
T
L
I
Q
F
E
D
F
A
N
P
N
A
F
R
L
L
D
K
Y
Q
D
K
Y
T
M
F
N
D
D---------------
53
Fugue
54.77
11%
-152
- C1 -
1NNW
3
?
A:
[2-252]
V
Y
V
A
V
L
A
N
I
A
---------------------
G
N
L
P
A
L
T
A
A
L
S
---------
R
I
E
E
M
R
E
E
G
Y
E
----------------
I
E
K
Y
Y
I
L
G
N
I
V
G
---
L
-----------------------------
F
P
Y
P
K
E
-
V
I
E
V
I
K
D
L
T
-
K
K
E
N
V
K
I
I
R
----
G
K
Y
D
Q
I
I
A
M
S
D
P
H
A
T
D
P
G
Y
--
I
D
K
L
E
L
P
G
H
V
K
K
A
L
-
K
F
T
W
E
K
L
--------------------------
G
H
E
G
R
E
Y
-
L
R
D
L
P
----------
I
Y
L
V
D
K
I
G
G
N
E
--------
V
F
G
V
Y
G
S
P
I
N
P
--
F
D
G
E
V
L
A
E
Q
P
T
-
S
Y
Y
E
A
I
-----------------------
M
R
P
V
K
D
Y
E
-----------
M
L
I
V
A
S
P
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
----
V
D
A
M
T
R
Y
G
---------------
R
V
V
C
P
G
S
----------
V
G
F
P
P
G
K
E
H
K
A
T
F
------------
A
------------
L
-------
V
D
V
D
T
L
K
P
-------
K
F
I
E
V
E
Y
D
K
K
I
I
E
E
R
I
R
A
E
G
L
P
E
E
I
I
K
I
L
Y
H
G
G
R
P
---------------------
12
PsiBlast_PDB
53.01
30%
-165
- C3 -
4EIY
13
AA2AR_HUMAN (first)
A:
[30-137]
-----------------------------------------------------------
G
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
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
A
Y
I
----------------
49
Fugue
50.92
13%
-132
- C3 -
1W5C
9
PSBD_THEEB
D:
[1-350]
M
T
I
A
I
G
R
A
P
A
E
R
G
-------
W
F
D
I
L
D
D
W
L
K
R
D
R
F
V
F
V
G
W
S
G
I
---------
L
L
F
P
C
A
Y
L
A
L
G
G
W
L
T
G
T
--------
T
F
V
T
S
W
Y
T
H
G
------------
L
A
S
S
---
Y
L
E
G
C
N
F
L
T
V
-
A
V
S
T
P
A
N
S
M
G
H
S
L
-
L
L
L
W
G
P
E
A
Q
-
G
D
F
T
R
W
C
Q
L
----
G
G
L
W
T
F
I
A
L
H
G
A
F
G
L
I
G
F
M
--
L
R
Q
F
E
I
A
R
L
V
G
V
-
R
-
P
Y
N
A
I
A
F
---
S
A
P
---
I
A
V
F
V
S
V
F
------
L
I
Y
P
L
G
Q
S
S
W
-
F
F
A
P
S
-----
F
-
G
-
V
A
A
I
F
R
F
L
L
F
F
Q
G
F
HNWTLN
P
F
H
M
M
G
V
A
G
V
L
--
G
G
A
L
L
C
A
I
H
G
A
-
T
V
E
N
T
L
FQDGEGASTFRAFNPTQAEETYS
M
V
T
A
N
R
F
W
S
Q
I
-------------
F
G
I
------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
----
S
N
K
R
W
L
H
F
F
M
L
----
F
V
P
V
----
T
G
L
W
M
S
A
----------
I
G
V
V
G
L
A
-
L
N
L
R
S
------------
Y
------------
D
-------
F
I
S
Q
E
I
R
A
A
E
D
P
EFE
T
F
Y
T
K
N
L
L
L
N
E
G
I
R
A
W
M
A
P
Q
D
Q
P
H
--
E
N
F
V
F
P
E
E
V
L
P
R
G
N
----------------
1
PsiBlast_PDB
48.77
23%
-130
- C3 -
3RZE
2
ENLYS_BPT4 (first)
A:
[26-146]
--------------------------------------------------------------------------------------
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
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
----------------