@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 : GNRR2_HUMAN: (2016-01-10 )
MSAGNGTPWDATWNITVQWLAVDIACRTLMFLKLMATYSAAFLPVVIGLDRQAAVLNPLGSRSGVRKLLGAAWGLSFLLAFPQLFLFHTVHCAGPVPFTQCVTKGSFKAQWQETTYNLFTFCCLFLLPLTAMAICYSRIVLSVSRPQTRKGSHAPAGEFALPRSFDNCPRVRLRALRLALLILLTFILCWTPYYLLGMWYWFSPTMLTEVPPSLSHILFLLGLLNAPLDPLLYGAFTLGCRRGHQELSIDSSKEGSGRMLQEEIHAFRQLEVQKTVTSRRAGETKGISITSI
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------------------------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----------------------------------------------------MSAGNGTPWD
A
T
W
N
I
T
-
V
Q
W
L
A
V
D
I
A
C
R
T
L
M
F
L
K
---
L
M
A
T
Y
S
A
A
F
L
P
V
V
IGLDR
Q
A
A
V
LNP-----L---G-----
S
R
S
G
-------
V
-----
R
K
--
L
L
G
A
A
W
G
L
S
F
L
L
A
F
P
Q
L
F
L
-
F
-------HTVHCAGP------V
P
---
F
T
Q
C
VTKGS
F
---
K
A
-
Q
W
Q
E
T
T
----
Y
N
L
F
T
F
C
C
L
F
L
L
P
L
T
A
M
A
I
C
Y
S
R
I
V
--LSVSRPQTRKGSHAPAGE----------------------------------------------------------------------------------------------------------------------------------F-----------------------------------------------------------------------------------------------------------------------------------------------A----------------------------------------------------------------------------------------------------L-P-------------RSFDN
C
P
R
V
R
L
R
A
L
R
L
A
L
L
I
L
----
L
T
F
I
L
C
W
T
P
Y
Y
L
L
G
-
M
W
Y
WFS
P
T
M
-------L-TEVP
P
S
L
S
H
I
L
F
L
L
G
----
L
L
NAP
L
D
P
L
L
Y
G
A
F
T
L
G
CRRGH
Q
E
LSIDSSKEGSG
R
M
L
Q
E
E
I
H
A
F
R
Q
L
E
V
Q
K
T
V
T
SRRAGETK
G
I
S
ITSI------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
93.33
23%
-141
- C1 -
3PBL
2
DRD3_HUMAN (first)
A:
[88-472]
------------------------------------------------------
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
SS
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
---------------------------------------------------------------------------------------
G
-
T
-------------
W
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
87.70
19%
-129
* C1 *
2RH1
15
ADRB2_HUMAN (first)
A:
[90-477]
------------------------------------------------------
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
TEGYYTIGIGHLLTK-----------------------------------------------------------------------------------------------------------
S
PS
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---------------------------------------------------------------------------------------
G
-
T
-------------
W
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
84.84
25%
-153
- C1 -
4XEE
3
?
A:
[103-346]
-----------------------------------------------------------------------
W
A
F
G
D
A
G
C
R
G
Y
Y
F
L
R
---
D
A
C
T
Y
A
T
A
L
N
V
A
S
L
S
V
E
R
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
RSA
D
G
T
H
P
G
G
L
------
V
C
----
T
P
I
V
D
T
A
T
V
---
K
V
-
V
I
Q
V
N
T
----
F
M
S
F
L
F
P
M
L
V
I
S
I
L
N
T
V
I
A
N
K
L
T
V
M
--
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
G
---
R
V
Q
A
L
R
H
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
C
Y
I
S
D
E
Q
-------
W
-
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
F
Y
A
S
S
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
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
------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
84.58
25%
-149
- C1 -
4XES
4
?
A:
[103-346]
-----------------------------------------------------------------------
W
A
F
G
D
A
G
C
R
G
Y
Y
F
L
R
---
D
A
C
T
Y
A
T
A
L
N
V
A
S
L
S
V
A
R
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
RSA
D
G
T
H
P
G
G
L
------
V
C
----
T
P
I
V
D
T
A
T
V
---
K
V
-
V
I
Q
V
N
T
----
F
M
S
F
L
F
P
M
L
V
I
S
I
L
N
T
V
I
A
N
K
L
T
V
M
--
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
G
---
R
V
Q
A
L
R
H
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
C
Y
I
S
D
E
Q
-------
W
-
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
N
A
L
F
Y
A
S
S
A
I
N
P
I
L
Y
N
L
V
S
A
N
F
R
Q
V
F
L
S
T
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
------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
83.36
24%
-162
- C1 -
4BWB
1
NTR1_RAT
A:
[90-317]
-----------------------------------------------------------------------
W
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
FKAKT
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
GTHPGG
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
82.72
19%
-125
- C1 -
3UON
4
ACM2_HUMAN (first)
A:
[73-457]
------------------------------------------------------
G
V
F
S
M
N
L
Y
T
L
Y
T
V
I
-
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
---
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
-----
L
---
T
-----
Y
P
V
K
-------
R
T
T
K
M
A
G
M
--
M
I
A
A
A
W
V
L
S
F
I
L
W
A
P
A
I
L
F
-
W
-------
Q
F
I
V
G
V
R
T
------
V
E
---
D
G
E
C
Y
I
Q
F
F
S
---------
N
A
A
----
V
T
F
G
T
A
I
A
A
F
Y
L
P
V
I
I
M
T
V
L
Y
W
H
I
S
--
R
A
S
K
S
R
I
N
I
F
E
M
L
R
I
D
E
G
LRL
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
T--------
G
-
T
-------------
W
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
82.51
24%
-162
- C1 -
2YDO
3
?
A:
[73-289]
-----------------------------------------------------------------------------
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
82.51
24%
-169
- C1 -
4BV0
1
NTR1_RAT
A:
[90-317]
-----------------------------------------------------------------------
W
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
GTHPGG
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
82.49
25%
-168
- C1 -
4BUO
9
NTR1_RAT
A:
[89-314]
-----------------------------------------------------------------------
W
A
F
G
D
A
G
C
R
G
Y
Y
F
L
R
---
D
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
GTHPGG
L
V
---
C
T
P
I
V
D
T
A
T
L
---
K
V
-
V
I
Q
V
N
T
----
F
------
M
S
F
L
F
P
M
L
V
A
S
I
L
N
T
V
I
A
N
K
L
T
V
M
V
H
Q
--------
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
C
Y
I
S
D
E
Q
-------
W
-
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
81.69
15%
-76
- C1 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
D
E
V
W
V
V
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
FERLQT
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
YQSLL
T
K
N
K
-------
A
-----
R
V
--
I
I
L
M
V
W
I
V
S
G
L
T
S
F
L
P
I
Q
M
-
H
-------
W
--
Y
R
A
T
H
------
Q
E
---
A
I
N
C
Y
A
E
E
T
C
---
C
D
-
F
F
T
N
Q
A
----
Y
A
I
A
S
S
I
V
S
F
Y
V
P
L
V
I
M
V
F
V
Y
S
R
V
F
--
Q
E
A
K
R
Q
L
N
I
F
E
M
L
R
I
D
E
G
----------------------------------------------------------------------------------------------------------------------------------
L
-----------------------------------------------------------------------------------------------------------------------------------------------
R
----------------------------------------------------------------------------------------------------
L
-
K
-------------
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
--------------------------------------------
H
L
L
T
K
S
P
S
----------------------------
L
N
A
A
K
S
E
L
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
L
D
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
TGTWDAYKFCL
K
E
H
K
A
L
K
T
L
G
I
I
M
G
T
F
T
L
C
W
L
P
F
F
I
V
N
I
V
H
V
I
QDNLIR
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
PLIYCRS
P
D
F
R
I
A
F
Q
E
L
L
CL
29
HHSearch
81.26
21%
-126
- C1 -
3RZE
5
ENLYS_BPT4 (first)
A:
[58-443]
------------------------------------------------------
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
TGT
W
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
81.01
24%
-165
- C1 -
3ZEV
3
NTR1_RAT
A:
[90-317]
-----------------------------------------------------------------------
W
A
F
G
D
A
G
C
R
G
Y
Y
F
L
R
---
D
A
C
T
Y
A
T
A
L
N
V
V
S
L
S
V
E
L
Y
L
A
I
C
H
P
FKAKT
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
GTHPGG
L
V
---
C
T
P
I
V
D
T
A
T
L
---
K
V
-
V
I
Q
V
N
T
----
F
M
S
F
L
F
P
M
L
V
A
S
I
L
N
T
V
I
A
N
K
L
T
V
M
--
V
H
Q
-----------
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
C
Y
I
S
D
E
Q
-------
W
-
T
T
F
L
F
D
F
Y
H
Y
F
Y
M
L
T
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
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
81.00
19%
-129
- C1 -
3EML
13
ENLYS_BPT4
A:
[71-472]
------------------------------------------------------
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
CLF
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
N
I
F
E
M
L
R
I
D
E
G
LRL
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
TG---------------------------------------------------------------------------------------
T
-
W
-------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
80.61
24%
-159
- C1 -
2YDV
6
?
A:
[73-289]
-----------------------------------------------------------------------------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
80.09
24%
-159
- C1 -
4UG2
3
?
A:
[73-289]
-----------------------------------------------------------------------------
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
-
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
79.71
24%
-150
- C1 -
3VGA
1
AA2AR_HUMAN
A:
[73-289]
-----------------------------------------------------------------------------
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
-----
L
R
Y
N
G
-----
L
V
T
G
-------
T
-----
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
G
-
W
-------
N
--
N
C
G
Q
-------------
S
Q
G
C
G
E
G
Q
V
---
A
C
-
L
F
E
D
V
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
-
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
79.09
17%
-120
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[98-497]
-------------------------------------------------------
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
T
G
----------------------------------------------------------------------------------------------------
T
-
W
-------------
D
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
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
78.46
16%
-132
- C1 -
2KS9
1
NK1R_HUMAN
A:
[83-326]
-------------------------------------------------------
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
------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
78.40
24%
-147
- C1 -
4UHR
1
AA2AR_HUMAN
A:
[73-289]
-----------------------------------------------------------------------------
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
GKA---
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
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
78.38
24%
-156
- C1 -
3VG9
7
?
A:
[73-289]
-----------------------------------------------------------------------------
A
C
H
G
C
L
F
I
A
CFV
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
RYN
G
-----
L
V
T
G
-------
T
-----
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
G
-
W
-------
N
--
N
C
G
Q
-------------
S
Q
G
C
G
E
G
Q
V
---
A
C
-
L
F
E
D
V
V
PMNY
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
-
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------