@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 : OR5M9_HUMAN: (2016-01-13 )
MPNFTDVTEFTLLGLTCRQELQVLFFVVFLAVYMITLLGNIGMIILISISPQLQSPMYFFLSHLSFADVCFSSNVTPKMLENLLSETKTISYVGCLVQCYFFIAVVHVEVYILAVMAFDRYMAGCNPLLYGSKMSRTVCVRLISVPYVYGFSVSLICTLWTYGLYFCGNFEINHFYCADPPLIQIACGRVHIKEITMIVIAGINFTYSLSVVLISYTLIVVAVLRMRSADGRRKAFSTCGSHLTAVSMFYGTPIFMYLRRPTEESVEQGKMVAVFYTTVIPMLNPMIYSLRNKDVKEAVNKAITKTYVRQ
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)
--------------------------------------MPN-FTDVT
E
F
T
-
L
L
G
L
--
T
C
R
Q
E
L
Q
V
L
F
F
V
V
F
L
A
-------
V
Y
-----
M
I
T
L
LGNI---
G
M
I
I
L
I
SISPQLQ--------------S
P
M
Y
F
F
L
S
HL
S
----------
F
A
D
V
C
FSSNV-
T
P
K
M
L
E
N
L
L
S
ET
K
T
I
S
Y
V
G
C
L
V
Q
C
Y
F
F
I
A
V
V
H
V
------------
E
V
Y
I
L
A
-
V
M
A
F
D
R
Y
MAGCNPL-LY-----GSK--------MS
R
T
V
C
V
R
L
ISV-------------
P
Y
V
YG----F
S
V
S
L
-------
I
C
T
L
W
-----
T
Y
G
L
Y
F
C
GN
F
E
I
N
H
F
YCADP
P
L
I
Q
I
ACG-------
R
V
H
I
-
K
-
E
I
T
M
I
V
I
AGI
N
F
T
Y
------
S
L
S
V
V
L
I
S
Y
T
L
I
V
V
A
V
-----------
L
-
R
MRSA--------------------D--------G
R
R
K
A
F
S
T
C
G
S
H
L
T
A
V
S
M
F--YGT
P
I
F
M
Y
LRRP-----
T
---
E
---
E
----
S
V
-E---QG
K
-------
M
V
A
V
F
-
Y
--
T
T
V
I
-
P
M
L
N
P
M
I
Y
S
L
RN
K
D
V
K
E
A
V
N
K
-
A
I
----------------
T
K
T
Y
VRQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
85.68
17%
-135
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
----------------------MN
G
T
E
G
PNFYVPFSNK
T
G
V
-
V
R
S
P
F
E
A
P
-
Q
Y
Y
L
--
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
-------
I
------
M
L
G
F
P
I
N
F
---
L
T
L
Y
V
T
V
Q
H
K
K
L
R
--------------
T
P
L
N
Y
I
L
L
N
L
A
----------
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
------------
A
L
W
S
L
V
-
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
-
S
---------------------------
N
F
-------------
R
F
G
E
N
----
H
A
I
M
G
-------
V
A
F
T
W
-----
V
M
A
L
A
C
A
A
P
P
L
V
G
-
W
S
R
Y
I
P
E
G
M
Q
C
S
C
G
I
DYYTPH
E
E
T
N
-
N
-
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
------
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
-----------
K
-
E
A
A
A
S
--------------------
A
--------
T
T
Q
K
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
--
F
L
I
C
W
L
P
Y
A
G
V
A
-----
F
---
Y
---
I
----
F
T
-
H
---
Q
G
S
DFGPIFM
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
TTVSKTETS
Q
V
A
P
A------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
76.10
16%
-130
- C3 -
2Z73
5
OPSD_TODPA
A:
[34-334]
---------------------------------------------------------------
Y
Y
S
L
G
I
F
I
G
I
-------
C
G
-----
I
I
G
C
G
G
N
G
---
I
V
I
Y
L
F
T
K
T
K
S
L
Q
--------------
T
P
A
N
M
F
I
I
N
L
A
----------
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
C
F
L
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
------------
S
I
M
T
M
A
-
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
-
A
A
-----
S
K
K
--------
M
S
H
R
R
A
F
I
M
I
I
F
-------------
V
W
L
W
S
----
V
L
W
A
I
-------
G
P
I
F
G
-----
W
G
A
---
Y
T
L
-
E
G
V
L
C
N
C
S
F
D
Y
I
S
------------
R
D
S
T
-
T
-
R
S
N
I
L
C
M
F
I
L
G
F
F
G
------
P
I
L
I
I
F
F
C
Y
F
N
I
V
M
S
V
-----------
S
-
N
H
E
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
N
--------
A
E
M
R
L
A
K
I
S
I
V
I
V
S
Q
F
L
L
S
--
W
S
P
Y
A
V
V
A
L
L
A
Q
-----
F
---
G
PLE
W
----
V
T
-
P
---
Y
A
A
-------
Q
L
P
V
M
-
F
--
A
K
A
S
-
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
-
T
F
----------------
P
W
V
L
T
C
C
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
44
Fugue
76.04
17%
-102
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
----------------------MN
G
T
E
G
PNFYVPFSNK
T
G
V
-
V
R
S
P
F
E
A
P
-
Q
Y
Y
L
--
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
-------
I
------
M
L
G
F
P
I
N
F
---
L
T
L
Y
V
T
V
Q
H
K
K
L
R
--------------
T
P
L
N
Y
I
L
L
N
L
A
----------
V
A
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
S
L
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
------------
A
L
W
S
L
V
-
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
--
S
-----
N
F
R
--------
F
G
E
N
H
A
I
M
G
V
A
F
-------------
T
W
V
M
A
----
L
A
C
A
A
--------
P
P
L
V
-----
G
W
S
R
Y
-------------
I
P
E
G
M
Q
C
S
C
G
I
DYYTPH
E
E
T
N
-
N
-
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
------
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
KEAAAQQQESA
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
CGKNPLGDDEA
S
T
T
V
S
K
T
E
T
S
Q
VAPA----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
75.82
17%
-127
- C3 -
2KS9
1
NK1R_HUMAN
A:
[36-325]
-------------------------------------------------------------------
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
GDSSDRYH
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
NPD
L
---
Y
----
L
K
-
K
FI
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
72.40
16%
-123
- C3 -
4NDN
1
MAT2B_HUMAN
F:
[15-323]
--------------------------------------
I
P
N
R
R
V
L
V
T
G
A
T
G
L
L
G
R
--
A
V
H
K
E
F
Q
Q
N
N
W
H
A
V
G
C
-------
G
F
RRARP
K
F
E
Q
V
N
L
L
---
D
S
N
A
V
H
H
I
I
H
D
F
Q
--------------
P
H
V
I
V
H
C
A
A
E
R
----------
R
P
D
V
D
A
A
S
Q
L
-
N
V
D
A
S
G
N
L
A
K
E
A
A
A
V
G
A
---------
F
L
I
Y
I
S
S
------------
D
Y
V
F
D
G
-
T
N
P
P
Y
R
E
E
D
I
P
A
P
L
N
L
Y
-----
G
K
T
KLDGEKAV
L
E
N
N
L
G
A
A
V
L
R
I
-------------
P
I
L
Y
G
EVEK
L
E
E
S
A
-------
V
T
V
M
F
-----
D
K
V
Q
F
S
N
K
S
A
N
M
D
H
W
Q
Q
R
F
P
----------------
T
H
V
-
K
-
D
V
A
T
V
C
R
Q
L
A
E
K
R
M
------
L
D
P
S
I
K
G
T
F
H
W
S
G
N
E
Q
-----------
M
T
K
Y
E
M
A
--------------------
C
--------
A
I
A
D
A
F
N
L
P
S
S
H
L
R
P
I
T
-----
D
S
P
V
-
L
G
A
Q
R
P
-----
R
---
N
---
A
----
Q
L
-
D
---
C
S
K
-------
L
E
T
L
G
-
I
--
G
Q
R
T
-
P
F
R
I
G
I
K
E
S
L
W
P
F
L
I
D
K
R
W
R
Q
-
T
V
----------------
F
H
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
52
Fugue
72.36
16%
-131
- C3 -
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
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
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
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
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---------------------
33
HHSearch
69.82
14%
-113
- C3 -
1U19
14
OPSD_BOVIN
A:
[42-327]
-----------------------------------------------------------------
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
QESA
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
65.00
21%
-172
- C3 -
3EML
8
ENLYS_BPT4
A:
[22-221]
----------------------------------------------------------------
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
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
Fugue
64.77
21%
-143
- C1 -
4XGC
-
?
D:
[5-457]
D
R
E
L
V
S
I
R
R
F
L
K
E
R
L
Q
RDYTTLRGY
A
K
E
R
S
N
V
R
L
L
L
Q
R
T
A
E
-
M
G
E
S
N
S
L
L
-
L
L
G
P
RG
S
G
K
T
T
L
I
N
S
V
L
A
D
L
L
P
NK
S
F
G
E
N
T
L
-----
I
V
H
L
D
G
N
L
HTD
D
R
V
A
L
K
S
I
T
V
Q
M
Q
LENAADGKVFGS
F
A
E
N
L
A
F
L
L
Q
C
L
K
S
K
S
V
I
F
I
L
E
E
F
D
L
F
C
A
H
H
N
Q
---
T
L
L
Y
N
L
F
D
V
S
Q
S
A
Q
A
P
I
C
V
L
G
V
T
C
R
L
D
V
I
E
L
LE
K
R
V
K
S
R
FSHR
Q
V
F
L
F
P
S
L
R
R
F
E
D
Y
V
D
L
C
R
D
L
-
L
S
L
P
T
G
N
S
L
L
--------
L
A
A
E
K
I
Y
N
L
Q
N
I
QSGALYFSRNHFD
P
G
E
Y
G
----
F
S
P
R
L
R
D
A
W
N
K
Q
I
C
K
V
L
A
T
Q
Q
A
R
S
T
L
Q
A
L
H
D
F
D
I
S
E
A
Y
L
K
N
F
L
F
R
L
V
A
H
L
-------
R
P
Q
S
-
P
-
H
I
T
A
E
K
M
A
A
V
G
S
Q
F
E
GD
D
K
I
E
L
L
C
G
L
S
V
L
E
L
C
L
I
I
A
-----------
I
-
K
H
H
S
Q
--------------------
I
--------
Y
D
R
D
S
F
N
-
F
E
I
I
Y
A
R
F
S
K
F
A
K
V
S
T
T
M
Q
A
V
E
R
S
I
-----
V
---
L
---
K
----
A
F
-
E
---
H
L
R
-------
I
A
E
L
I
-
M
P
L
T
K
V
Q
-
K
E
F
E
M
H
K
L
A
L
T
Y
S
Q
I
H
H
C
M
Q
R
Y
Q
A
----------------
L
P
T
E
V
A
Q
W
A
QSS---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
64.67
15%
-122
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[39-323]
---------------------------------------------------------------
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
RTQ
V
---
I
---
Q
E
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
62.93
23%
-164
- C3 -
3VGA
1
AA2AR_HUMAN
A:
[8-166]
-----------------------------------------------------------------
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
62.53
23%
-166
- C3 -
4EIY
19
AA2AR_HUMAN (first)
A:
[33-191]
-----------------------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
62.22
15%
-113
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
---------------------------------------
P
C
-
F
R
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
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
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
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
5
PsiBlast_PDB
60.84
23%
-156
- C3 -
3RFM
1
AA2AR_HUMAN
A:
[8-166]
-----------------------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
60.65
23%
-158
- C3 -
3UZA
1
AA2AR_HUMAN
A:
[8-166]
-----------------------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
60.59
23%
-160
- C3 -
3EML
8
ENLYS_BPT4
A:
[23-181]
-----------------------------------------------------------------
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
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
60.49
23%
-172
- C3 -
3VG9
4
?
A:
[8-166]
-----------------------------------------------------------------
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
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
60.46
23%
-156
- C3 -
3PWH
1
?
A:
[8-166]
-----------------------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
60.28
23%
-164
- C3 -
3QAK
2
ENLYS_BPT4
A:
[23-181]
-----------------------------------------------------------------
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
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
--------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
60.21
23%
-161
- C3 -
3REY
1
AA2AR_HUMAN
A:
[8-166]
-----------------------------------------------------------------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------