@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 : ETBR2_HUMAN: (2016-01-09 )
MRWLWPLAVSLAVILAVGLSRVSGGAPLHLGRHRAETQEQQSRSKRGTEDEEAKGVQQYVPEEWAEYPRPIHPAGLQPTKPLVATSPNPGKDGGTPDSGQELRGNLTGAPGQRLQIQNPLYPVTESSYSAYAIMLLALVVFAVGIVGNLSVMCIVWHSYYLKSAWNSILASLALWDFLVLFFCLPIVIFNEITKQRLLGDVSCRAVPFMEVSSLGVTTFSLCALGIDRFHVATSTLPKVRPIERCQSILAKLAVIWVGSMTLAVPELLLWQLAQEPAPTMGTLDSCIMKPSASLPESLYSLVMTYQNARMWWYFGCYFCLPILFTVTCQLVTWRVRGPPGRKSECRASKHEQCESQLNSTVVGLTVVYAFCTLPENVCNIVVAYLSTELTRQTLDLLGLINQFSTFFKGAITPVLLLCICRPLGQAFLDCCCCCCCEECGGASEASAANGSDNKLKTEVSSSIYFHKPRESPPLLPLGTPC
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.-..---------------------------------------------------------------------------------------------------------------------------------------------------------....350.......360.------......370...-....380......------.-390----.........400...---....410.......420.......430.......440.......450.......460.......470.......480
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MR
W
L
W
P
L
A
V
S
L
A
V
I
L
A
V
G
L
S
RVSGGAPLHLGRHR
A
E
T
Q
E
Q
Q
S
RSKRGT
E
D
E
E
A
K
G
V
Q
Q
Y
V
P
E
E
W
AEYPRPIHPAGLQPTK
P
L
V
ATSPNPGKDGGTPDS
G
Q
E
L
RGNLTGAPG
Q
R
L
Q
IQNPLYPVTESS
Y
S
A
Y
A
I
M
L
L
A
L
V
V
F
A
V
G
I
VGN
L
S
V
M
C
I
V
W
H
S
Y
Y
L
K
S
A
W
N
S
I
---
L
A
S
L
A
L
W
D
F
L
V
L
F
F
C
L
P
I
V
I
F
N
E
I
T
-
K
Q
R
--
L
LGDVSCRAV
P
F
M
E
VSSL
G
V
T
T
F
S
L
C
A
L
G
I
D
R
F
H
VATSTLPKVR
P
I
--
E
R
C
Q
S
I
L
A
K
L
A
V
I
WVG
S
M
T
L
A
V
P
E
L
L
---
L
-
W
Q
L
AQEPAPTM
G
T
L
D
S
C
IMKPS--A----SL---
P
E
S
L
Y
S
L
-
V
M
T
YQNA
R
M
W
W
Y
F
G
C
Y
F
C
---------
L
P
I
L
F
T
V
T
C
Q
L
V
T
W
-
R
-
V
-RGPPGR
K
S
-
E
C
---------------------------------------------------------------------------------------------------------------------------------------------------------RA
S
K
H
E
Q
C
E
S
Q
L
N
S
T
V
V
G
------
L
T
V
V
Y
A
F
CTL
P
E
-
N
V
C
N
I
V
V
A
Y
L
S
T
E
------
L
-
T
------
R
Q
T
L
D
L
L
G
L
I
N
Q
F
S
T
---
F
F
KG
A
I
T
P
V
L
L
L
C
I
C
R
P
L
G
Q
A
F
L
D
C
C
C
C
C
C
C
E
ECGGASEASAANGSDN
K
L
K
T
EVSS
S
I
Y
F
HKPRESPPLLPLGTPC
22
HHSearch
81.95
18%
-125
- C2 -
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
TGTW--
D
A
Y
P
P
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
P
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
-------------------------------------------------
27
HHSearch
80.91
18%
-119
- C2 -
3EML
13
ENLYS_BPT4
A:
[22-472]
----------------------------------------------------------------------------------------------------------------------------------
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
CLFE
D
V
---
V
P
M
N
Y
----------
M
V
Y
F
N
F
F
A
C
V
L
---------
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
-
L
-
A
A
R
R
Q
L
N
I
F
E
-
M
L
R
I
D
E
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
D
C
---------------
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
---
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
-------------------------------------------
5
PsiBlast_PDB
80.35
23%
-128
- C2 -
4BV0
1
NTR1_RAT
A:
[7-326]
---------------------------------------------------------------------------------------------------------------------
N
S
D
L
D
V
N
T
D
I
Y
S
K
V
L
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
G
V
T
L
F
T
L
A
R
K
-------
S
R
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
F
A
L
P
V
D
V
Y
N
F
I
W
-
V
H
H
PW
A
F
G
D
A
G
C
K
G
Y
Y
F
L
R
E
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
R
H
P
-----
L
M
--
S
R
S
R
T
-
K
K
F
I
S
A
I
W
L
A
S
A
L
L
A
I
P
M
L
F
T
V
G
L
-
Q
N
L
S
G
D
G
T
H
P
G
G
L
V
C
T
P
I
V
D
-
T
--
A
----
T
L
---
K
-------
V
V
I
Q
L
N
T
F
M
S
F
L
F
P
M
-
L
V
---------
A
S
I
L
N
T
V
I
A
R
R
L
T
V
-
M
-
V
-
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
G
R
V
Q
A
L
R
R
G
V
L
V
L
R
A
------
M
V
I
A
F
V
V
C
W
L
P
Y
-
H
V
R
R
L
M
F
V
Y
I
S
D
E
------
Q
W
T
------
T
A
L
F
D
F
Y
H
Y
F
Y
M
L
S
N
A
L
V
Y
V
S
A
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
A
C
L
-----------------------------------------------
10
PsiBlast_PDB
79.90
23%
-134
- C2 -
4BWB
1
NTR1_RAT
A:
[7-327]
---------------------------------------------------------------------------------------------------------------------
N
S
D
L
D
V
N
T
D
I
Y
S
K
V
L
V
T
A
I
Y
L
A
L
F
V
V
G
T
V
G
N
G
V
T
L
F
T
L
A
-----
Q
S
L
Q
S
R
V
D
Y
Y
L
G
S
L
A
L
S
D
L
L
I
L
L
F
A
L
P
V
D
L
Y
N
F
I
W
-
V
H
H
PW
A
F
G
D
A
G
C
K
G
Y
Y
F
L
R
E
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
-
L
Y
L
A
I
C
H
P
F
K
A
K
T
L
--
M
S
R
S
R
T
K
K
F
I
S
A
I
W
L
A
S
A
L
L
A
I
P
M
L
F
T
M
G
L
-
Q
N
L
S
G
D
G
T
H
P
G
G
L
V
C
T
P
I
V
D
-
T
--
A
----
T
L
---
R
-------
V
V
I
Q
L
N
T
F
M
S
F
L
F
P
M
-
L
V
---------
A
S
I
L
N
T
V
A
A
R
R
L
T
V
-
M
-
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
P
G
R
V
Q
A
L
R
R
G
V
L
V
L
R
A
------
V
V
I
A
F
V
V
C
W
L
P
Y
-
H
V
R
R
L
M
F
V
Y
I
S
D
E
Q-----
W
-
T
------
T
A
L
F
D
F
Y
H
Y
F
Y
M
L
S
N
A
L
V
Y
V
S
A
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
L
A
C
L
C
----------------------------------------------
43
Fugue
77.79
18%
-99
- C2 -
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
-----------------
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
P
S
T
T
V
S
K
T
E
T
--------------
S
Q
V
A
P
A
--------
26
HHSearch
76.60
16%
-120
- C2 -
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
TGTW--
D
A
Y
L
H
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
N
C
------
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
------------------------------------------------
23
HHSearch
76.58
15%
-114
- C2 -
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
CC
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
TGTW--
D
A
Y
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
L
L
C
L
------------------------------------------------
32
HHSearch
76.44
18%
-119
- C2 -
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
GTW
D
A
Y
G
V
P
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
T
C
----------------
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
------------------------------------------------
44
Fugue
75.11
19%
-84
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
--------------------------------------------
M
N
G
T
E
G
P
N
-----
F
Y
V
P
---------------
F
S
N
K
T
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
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
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
--------
A
P
A
--------
21
HHSearch
71.64
15%
-106
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[41-497]
--------------------------------------------------------------------------------------------------------------------------
E
E
N
A
N
F
N
K
I
F
L
P
T
I
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
T
D
K
Y
---
R
L
H
L
S
V
A
D
L
L
F
V
-
I
T
L
P
F
W
A
V
D
A
V
--
A
N
W
--
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
R
--
K
L
-
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
---
F
-
A
N
V
S
E
-----
A
D
D
R
Y
I
C
D
R
F
Y
P
--
N
----
D
L
---
W
V
V
V
F
Q
-----------
F
Q
H
I
M
V
G
L
I
---------
L
P
G
I
V
I
L
S
C
Y
C
I
I
I
S
K
-
L
-
S
H
S
G
S
N
I
F
-
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
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
TGTWD
A
Y
G
S
K
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
E
I
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
---------------------------------------
31
HHSearch
69.54
16%
-117
- C2 -
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
EET
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
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
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
-----------------------
33
HHSearch
69.06
18%
-109
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[40-322]
----------------------------------------------------------------------------------------------------------------------------------
Y
V
V
I
I
A
Y
A
L
V
F
L
L
S
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
Y
---
L
L
N
L
A
L
A
D
L
L
F
A
L
T
-
L
P
I
W
A
A
S
K
-
V
-
N
G
W
--
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
Y
L
A
I
V
H
A
T
R
T
L
T
Q
---
K
R
-
H
L
V
K
F
V
C
L
G
C
W
G
L
S
M
N
L
S
L
P
F
F
L
---
F
-
R
Q
A
Y
H
P
----
N
N
S
S
P
V
C
Y
E
V
L
G
--
N
----
D
T
---
A
K
W
R
---------
M
V
L
R
I
L
P
H
T
F
G
F
I
---------
V
P
L
F
V
M
L
F
C
Y
G
F
T
L
-
R
-
T
-
L
F
K
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
M
G
Q
K
H
R
A
M
R
V
I
F
A
------
V
V
L
I
F
L
L
C
W
L
P
Y
-
N
L
V
L
L
A
D
T
L
M
R
T
Q
------
V
-
I
QE
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
----------------------------------------------
30
HHSearch
68.92
15%
-121
- C2 -
2KS9
1
NK1R_HUMAN
A:
[33-325]
----------------------------------------------------------------------------------------------------------------------------------
V
L
W
A
A
A
Y
T
V
I
V
V
T
S
V
V
G
N
V
V
V
M
W
I
I
L
A
H
K
R
M
R
T
V
T
N
Y
F
---
L
V
N
L
A
F
A
E
A
S
M
A
A
F
N
T
V
V
N
F
T
Y
A
V
H
-
N
E
W
--
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
R
L
S
A
-----
T
A
T
K
V
V
I
C
V
I
W
V
L
A
L
L
L
A
F
P
Q
G
Y
---
Y
-
S
T
T
E
T
-----
M
P
S
R
V
V
C
M
I
E
W
P
--
E
----
H
P
---
N
K
-
I
Y
E
-------
K
V
Y
H
I
C
V
T
V
L
I
Y
F
---------
L
P
L
L
V
I
G
Y
A
Y
T
V
V
G
-
I
-
T
L
W
A
S
E
I
P
G
D
S
S
D
---------------------------------------------------------------------------------------------------------------------------------------------------------
R
Y
H
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
L
------
Y
-
L
------
K
K
F
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
E
G
L
E
M
K
S
T
R
Y
L
Q
T
Q
G
S
V
Y
K
V
S
R
L
E
T
T
I
S
T
V
V
G
A
------
17
PsiBlast_PDB
67.48
24%
-109
- C2 -
4UHR
1
AA2AR_HUMAN
A:
[7-253]
--------------------------------------------------------------------------------------------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
I
P
F
A
I
--
A
I
S
-
T
G
F
--
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
A
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
-
I
A
I
R
I
P
L
R
Y
N
G
L
--
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
---
G
-
W
N
N
C
G
Q
P
K
E
G
K
A
---
G
C
G
E
G
Q
V
--
A
----
C
L
---
F
E
D
V
V
P
M
N
Y
M
V
Y
F
N
-----
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
K
Q
M
-
E
-
S
-
Q
P
L
P
G
E
R
A
-
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
D
C
------
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
Q
E
P
F
K
A
A
A
A
-------------------------------------
15
PsiBlast_PDB
67.12
24%
-114
- C2 -
2YDV
6
?
A:
[7-253]
--------------------------------------------------------------------------------------------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
I
P
F
A
I
--
A
I
S
-
T
G
F
--
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
A
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
-
I
A
I
R
I
P
L
R
Y
N
G
L
--
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
---
G
-
W
N
N
C
G
Q
P
K
E
G
K
A
H
S
Q
G
C
G
E
G
Q
V
--
A
----
C
L
---
F
E
D
V
V
P
M
N
Y
M
V
Y
F
N
-----
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
K
Q
M
-
E
-
S
-
Q
---------
S
---------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
Q
K
E
V
H
A
A
K
S
L
-
A
I
I
V
G
------
L
---
F
A
L
C
W
L
P
L
-
H
I
I
N
C
F
T
F
F
C
P
D
C
------
S
-
H
------
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
---
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
Q
E
P
F
K
A
A
A
A
E
N
L
Y
F
Q
------------------------------
14
PsiBlast_PDB
66.63
24%
-113
- C2 -
2YDO
3
?
A:
[7-253]
--------------------------------------------------------------------------------------------------------------------------------
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
A
A
A
A
D
I
L
V
G
V
L
A
I
P
F
A
I
--
A
I
S
-
T
G
F
--
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
A
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
-
I
A
I
R
I
P
L
R
Y
N
G
L
--
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
---
G
-
W
N
N
C
G
Q
P
K
E
G
K
A
H
S
Q
G
C
G
E
G
Q
V
--
A
----
C
L
---
F
E
D
V
V
P
M
N
Y
M
V
Y
F
N
-----
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
K
Q
M
-
E
-
S
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
Q
K
E
V
H
A
A
K
S
L
-
A
I
I
V
G
------
L
---
F
A
L
C
W
L
P
L
-
H
I
I
N
C
F
T
F
F
C
P
D
C
------
S
-
H
------
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
---
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
Q
E
P
F
K
A
A
A
A
E
N
L
Y
F
-------------------------------
29
HHSearch
66.20
15%
-109
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[59-495]
-----------------------------------------------------------------------------------------------------------------------------
K
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
TGTWD--
A
Y
A
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
K
------
T
---------
C
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
----------------------------------------------
19
PsiBlast_PDB
64.42
23%
-115
- C2 -
3REY
1
AA2AR_HUMAN
A:
[7-253]
--------------------------------------------------------------------------------------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
-
I
A
I
A
I
P
L
R
Y
N
G
L
--
V
T
G
T
R
A
A
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
--------
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
-
A
-
A
-
A
R
R
Q
L
K
Q
M
-
E
S
---------------------------------------------------------------------------------------------------------------------------------------------------------
Q
P
L
P
G
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
-
H
I
I
N
C
F
T
F
F
C
P
D
C
------
S
-
H
------
A
P
L
W
L
M
Y
L
A
I
V
L
A
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
--------------------------------------------------
20
PsiBlast_PDB
64.37
23%
-112
- C2 -
3RFM
1
AA2AR_HUMAN
A:
[7-253]
--------------------------------------------------------------------------------------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
-
I
A
I
A
I
P
L
R
Y
N
G
L
--
V
T
G
T
R
A
A
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
--------
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
-
A
-
A
-
A
R
R
Q
L
K
Q
M
-
E
S
---------------------------------------------------------------------------------------------------------------------------------------------------------
Q
P
L
P
G
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
-
H
I
I
N
C
F
T
F
F
C
P
D
C
------
S
-
H
------
A
P
L
W
L
M
Y
L
A
I
V
L
A
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
--------------------------------------------------
18
PsiBlast_PDB
63.85
23%
-114
- C2 -
3PWH
1
?
A:
[7-253]
--------------------------------------------------------------------------------------------------------------------------------
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
L
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
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
-
I
A
I
A
I
P
L
R
Y
N
G
L
--
V
T
G
T
R
A
A
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
--------
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
-
A
-
A
-
A
R
R
Q
L
K
Q
M
-
E
S
---------------------------------------------------------------------------------------------------------------------------------------------------------
Q
P
L
P
G
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
-
H
I
I
N
C
F
T
F
F
C
P
D
C
------
S
-
H
------
A
P
L
W
L
M
Y
L
A
I
V
L
A
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
--------------------------------------------------