@TOME V2.3
(Nov 2016)
Ref.
-
-
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 : T2R30_HUMAN: (2016-01-14 )
MITFLPIIFSILIVVIFVIGNFANGFIALVNSIEWVKRQKISFVDQILTALAVSRVGLLWVLLLHWYATQLNPAFYSVEVRITAYNVWAVTNHFSSWLATSLSMFYLLRIANFSNLIFLRIKRRVKSVVLVILLGPLLFLVCHLFVINMDETVWTKEYEGNVTWKIKLRSAMYHSNMTLTMLANFVPLTLTLISFLLLICSLCKHLKKMQLHGKGSQDPSTKVHIKALQTVTSFLLLCAIYFLSMIISVCNFGRLEKQPVFMFCQAIIFSYPSTHPFILILGNKKLKQIFLSVLRHVRYWVKDRSLRLHRFTRGALCVF
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)
--------------------------------M
I
T
F
L
P
I
I
F
----
S
I
L
I
-------
V
V
I
F
---------------------------
V
I
G
NFA------
N
G
F
----
I
A
L
V
N
---------
S
--------------
I
E
W
V
K
R
Q
-------
K
I
S
F
--------
V
D
Q
-
I
L
T
A
----
L
A
V
S
R
V
-
G
L
L
W
V
L
-
L
------
L
H
--------
W
Y
A
TQLN
P
A
-
F
-
Y
S
V
E
V
R
I
T
A
Y
N
V
W
-----------
A
V
T
-
N
H
F
---
S
S
-
W
L
A
----------
T
------------------
S
L
S
M
F
Y
L
L
R
IANF-----------------S
N
L
---------------
I
F
-
L
R
I
---
K
R
R
V
K
S
V
-----
V
L
V
--
I
L
L
-------------------
G
P
L
L
F
--
L
V
C
H
L
F
VINMD----E
T
V
W
T
K
E-YEG
N
V
T
----
W
-
K
I
K
L
---
R
S
---AMYHSN--------M
T
L
T
M
L
A
N
F
V
------
P
L
T
L
T
L
I
S
F
L
L
----------
L
I
C
S
----
L
C
K
H
L
--
K
K
M
Q
LHGK-------GS-Q-------------------DPST
K
V
H
I
K
A
L
Q
T
---
V
T
----
S
----
F
--
L
L
L
C
A
I
Y
--
F
L
S
M
I
I
S
V
CNFGR---------L---EK
Q
-------
P
V
F
M
F
C
-------
Q
A
----
I
I
FSYPSTH
P
--
F
I
L
I
L---GN
K
K
L
K
Q
I
F
L
S
V
L
R
H
V
R
Y
-
W
V
KDR--S
L
--
R
L
H
R
FTRGALCVF----------------------------------------------------------------------
37
Fugue
82.93
15%
-151
* C3 *
2I2X
3
MTAB_METBF
A:
[3-461]
-------------------AKRYTSMAYANAD
E
M
T
F
G
V
S
K
Y
----
P
V
K
A
-------
G
L
D
L
---------------------------
E
I
G
--
A
------
G
Y
T
----
I
P
E
I
N
Y
A
P
R
PEAGA
S
--------------
K
E
K
L
I
K
E
-------
Y
E
R
I
--------
T
T
D
-
V
M
E
R
----
M
V
Q
V
G
F
-
P
A
I
I
L
E
-
T
------
E
H
--------
V
Q
Q
M
S
N
N
P
S
-
W
-
G
A
E
V
A
H
A
Q
K
T
I
M
E
-----------
K
Y
H
-
D
E
Y
G
I
K
C
A
-
L
R
H
----------
T
I
G
DIRENREFLQLRGDK
Y
S
V
F
L
E
A
F
E
Q
C
A
E
N
G----------------
A
D
L
---------------
L
S
-
V
E
S
MGG
K
E
V
F
D
Y
A
-----
V
L
R
--
N
D
I
-------------------
P
G
L
L
Y
--
S
I
G
C
L
G
S
I
D
M
E
L
I
W
T
D
I
S
K
I
A
K
-
K
T
G
T
I
S
A
G
D
T
D
-
C
A
Q
A
---
N
T
---
A
M
F
I
G
G
GLLNKNLA
H
T
I
A
V
I
A
R
A
I
------
S
A
P
R
S
L
V
A
Y
E
A
GAVGPGKDCG
Y
E
N
I
----
I
V
K
A
I
TG
M
P
M
T
M
E
G
K
-------
T
S
-
T
CAHSDVMGNLVMQCCDCWS
N
E
S
V
E
Y
H
G
E
F
G
G
T
---
T
V
----
Q
----
C
--
W
S
E
T
L
A
Y
--
D
C
A
L
M
N
T
A
L
E
T
K
N
---------
D
---
K
V
L
-------
R
D
L
M
M
L
S
D
R
YRD
P
Q
A
----
Y
M
L
A
Y
D
N
A
Y
R
--
V
G
Q
S
I
V
K
D
G
D
N
I
Y
L
R
A
K
N
A
A
I
E
C
C
N
I
-
I
E
E
G
A
A
G
K
L
--
E
L
S
R
F
E
T
K
A
L
A
D
A
K
A
A
L
E
A
LPDD
M
D
K
F
M
D
D
C
L
T
K
Y
K
S
E
V
KVFKPENYGF----------------------------------
19
HHSearch
82.72
12%
-123
- C5 -
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
IS-
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
L
E
---------
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
Q
F
D
--
D
K
--
E
T
E
D
D
K
D
A
E
T
E
I
P
----------------------------------------------------------------------
30
Fugue
79.87
17%
-126
- C3 -
2CVH
-
RADB_THEKO
A:
[1-220]
--------------------------------
M
L
S
T
G
T
K
S
L
----
D
S
L
L
G
GGFAPG
V
L
T
Q
---------------------------
V
Y
G
P
Y
A
------
S
G
K
----
T
T
L
A
L
---------
Q
--------------
T
G
L
L
S
G
K
-------
K
V
A
Y
--------
V
D
T
-------------------------------------------------------
E
G
G
F
S
P
E
R
L
V
-----------
Q
M
A
-
E
T
R
---
G
L
-
N
P
E
----------
E
------------------
A
L
S
R
F
I
L
F
T
P
S
D
F
KE---------------
Q
R
R
---------------
V
I
-
G
S
L
---
K
K
T
V
D
S
N
-----
F
A
L
--
V
V
V
-------------------
D
S
I
-----------------------
T
A
H
-
Y
R
A
E
E
N
------
R
S
G
L
---
I
A
---
E
L
S
R
Q
L
--------
Q
V
L
L
W
I
A
R
K
H
------
N
I
P
V
I
V
I
N
-------------------------------
Q
V
H
F
D
-------
S
R
-
T
-------------------
E
M
T
K
P
V
A
E
Q
T
L
G
Y
--------------------------------
R
C
K
D
I
L
R
---------
L
---
D
K
L
-------
P
K
P
G
L
R
-------
V
A
----
V
L
E
R
H
-----------------
R
F
R
P
E
G
L
M
A
Y
F
R
I
T
E
R
-
G
I
E
D
V
--
E
--------------------------------------------------------------------------------------
34
Fugue
79.08
11%
-142
- C3 -
1N2S
2
RMLD_SALTY
A:
[1-298]
----------------------------------------------
M
N
I
-------
L
L
F
G
---------------------------
K
T
G
Q
V
G
------
W
E
L
----
Q
R
S
L
A
---------
P
--------------
V
G
N
L
I
A
L
D
VHSKEF
C
G
D
F
--------
S
N
P
-
K
G
V
A
----
E
T
V
R
K
L
-
R
P
--
D
V
-
I
------
V
N
--------
A
A
A
H
T
A
V
D
K
-
A
-
E
S
E
P
E
L
A
Q
L
L
N
A
T
-----------
S
V
E
-
A
I
A
---
K
A
-
A
N
E
----------
T
------------------
G
A
W
V
V
H
Y
S
T
D
Y
V
F
-----------------
P
G
T
G
D
I
P
W
Q
ET
D
A
T
S
P
LN
V
Y
-
G
K
T
---
K
L
A
G
E
K
A
-----
L
Q
D
--
N
C
P
-------------------
K
H
L
I
F
--
R
T
S
W
V
Y
--------------
A
G
-
K
G
N
N
--------
F
A
K
T
---
M
L
---
R
L
A
K
E
R
--------
Q
T
L
S
V
I
N
D
Q
Y
------
G
A
P
T
G
A
E
L
L
A
D
----------
C
T
A
H
----
A
I
R
V
A
--
L
N
--------------
K
-
P
-------------------
E
V
A
G
L
Y
H
L
V
A
G
G
T
---
T
T
----
W
----
H
--
D
Y
A
A
L
V
F
--
D
E
A
R
K
A
-----
G
I
---------
T
---
L
A
L
-------
T
E
L
N
A
V
-------
P
T
----
S
A
Y
P
T
P
A
S
R
P
--
G
N
S
R
L
---
N
T
E
K
F
Q
R
N
F
D
L
I
L
P
Q
W
E
L
-
G
V
K
R
M
--
L
T
--
E
M
F
T
T
T
T
----------------------------------------------------------------------------
16
HHSearch
78.86
12%
-120
- C5 -
2KS9
1
NK1R_HUMAN
A:
[34-326]
---------------------------------------
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
NKI
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
LKK
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
----------------------------------------------------------------------
32
Fugue
78.04
16%
-142
- C3 -
4FDT
2
?
A:
[21-425]
MQT
K
I
Q
K
Y
A
GTAMPYPNRTDGMTPF
Y
I
N
H
L
G
R
H
G
A
R
F
P
T
S
R
----
K
A
L
D
-------
K
V
E
K
---------------------------
V
L
V
S
A
Q
Q
E
NGLT
S
E
G
----
M
A
L
L
S
---------
M
--------------
I
R
R
L
S
R
L
F
DGQWG-
K
L
S
K
--------
L
G
E
-
T
E
Q
E
----
G
I
A
G
R
M
-
I
R
N
Y
P
Q
-
L
FSNS
A
K
I
E
--------
A
I
A
T
Y
V
P
R
S
-
I
-
N
S
M
D
A
F
L
S
C
M
I
R
H
NPA
L
Q
V
Q
R
S
E
G
K
Q
Y
-
N
H
I
---
L
R
-
F
F
D
----------
L
------------------
N
K
S
Y
V
N
Y
K
E
K
G
D
W
-----------------
L
P
I
---------------
Y
K
-
A
F
V
---
H
K
K
I
S
P
V
-----
P
I
M
K
K
F
L
L
-------------------
N
P
E
Q
Y
L
D
K
E
A
E
E
F
V
M
A
L
F
----
S
V
A
A
I
L
P
D
T
S
I
P
L
N
----
L
-
E
D
L
F
---
T
L
---
D
E
W
H
R
Y
--------
W
Q
T
Q
N
L
R
Q
Y
M
------
S
K
S
S
A
P
V
G
K
M
L
----------
P
V
A
I
A
W
P
L
L
S
E
F
I
--
R
S
A
Q
E
V
I
S
-------
G
K
-
S
-------------------
D
Y
Q
A
N
F
R
F
A
H
A
E
T
---
V
I
----
P
----
F
--
V
S
L
M
G
I
E
--
K
T
D
--
V
Q
V
C
R
P
D
S
---------
V
---
S
V
Y
WKDYEIS
P
M
A
A
N
V
-------
Q
W
----
L
F
Y
R
D
R
D
Q
R
I
--
W
V
K
I
L
---
L
N
E
E
A
A
A
L
P
I
S
T
A
C
F
P
Y
Y
S
W
E
K
T
R
--
I
F
F
N
Q
R
I
E
M
A
K
K
T
L
S
V
F
N---------------------------------------------------------------------
31
Fugue
77.10
15%
-131
- C1 -
4QUV
1
?
A:
[23-427]
--------------------------F
S
W
L
V
L
M
I
A
L
P
P
L
V
Y
----
Y
L
W
I
-------
C
V
T
Y
YQGELVFTSD
A
A
A
W
R
R
F
W
SHVAPPT
W
H
A
A
G
L
Y
A
------
A
W
F
----
L
G
Q
A
A
---------
L
--------------
Q
V
W
A
P
G
P
-------
T
V
Q
G
M
KLPDGS
R
L
D
Y
-
R
M
N
G
----
I
F
S
F
L
F
-
T
L
A
V
V
F
-
G
------
L
V
T
M
GWLDAT
V
L
Y
D
Q
L
G
P
L
-
L
-
T
V
V
N
I
F
T
F
V
F
A
G
F
-----------
L
Y
F
W
G
P
F
---
Y
D
-
Y
F
M
GTALNPRIGS
L
------------------
D
L
K
L
F
C
E
A
R
P
G
M
I
-----------------
F
W
L
---------------
L
M
N
L
S
M
---
A
A
K
Q
Y
E
L
HGTVT
V
P
M
--
L
L
V
-------------------
V
G
F
Q
S
--
F
Y
L
I
D
Y
F
I
H
E
E
----
A
V
L
T
T
W
D
-
I
K
H
E
K
F
----
G
-
W
M
L
C
---
W
G
---
D
L
V
W
L
P
--------
F
T
Y
T
L
Q
A
Q
Y
L
VHHT
H
D
L
P
V
W
G
I
I
A
I
V
A
----------
L
N
L
A
----
G
Y
A
I
F
--
R
G
A
N
I
Q
K
H
-------
H
F
R
R
-------------------
D
P
N
R
I
V
W
G
K
P
A
K
Y
---
I
K
----
T
----
K
QG
S
L
L
L
T
S
G
--
W
W
G
I
A
R
H
M
N
Y
F
G
D
---------
L
---
M
I
A
-------
L
S
W
C
L
P
-------
A
A
----
F
G
S
P
I
P
Y
F
H
I
V
Y
F
T
I
L
L
---
L
H
R
E
K
R
D
D
A
M
C
L
A
K
Y
G
E
D
-
W
L
Q
Y
R
--
K
K
--
V
P
W
R
I
V
P
K
I
Y
-------------------------------------------------------------------------
13
HHSearch
75.29
11%
-119
- C5 -
1U19
14
OPSD_BOVIN
A:
[42-329]
---------------------------------------
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
YTP
H
E
ET-
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
----------------------------------------------------------------------
36
Fugue
73.37
16%
-156
- C4 -
2W18
5
A:
[24-356]
-----------------N
L
Q
L
V
S
E
L
K
N
P
S
G
S
C
S
V
D
V
S
A
M
F
W
----
E
K
E
P
-------
C
I
I
T
---------------------------
A
C
E
D
V
V
------
S
L
W
----
K
A
L
-
D
---------
A
--------------
W
Q
W
E
K
L
Y
-------
T
W
H
F
--------
A
E
V
P
V
L
Q
I
----
V
P
V
P
D
V
Y
N
L
V
C
V
A
-
L
------
G
N
--------
L
E
I
R
E
I
R
A
L
-
F
-
C
E
K
Q
V
L
L
K
S
G
N
I
K
-----------
A
V
L
-
G
L
T
---
K
R
-
R
L
V
----------
S
------------------
S
S
G
T
L
------
S
D
-----------------
Q
Q
V
---------------
E
V
-
M
T
F
---
A
E
D
G
G
G
K
-----
E
N
Q
--
F
L
M
-------------------
P
P
E
E
T
--
I
L
T
F
A
E
V
Q
G
M
Q
----
E
A
L
L
G
T
T
-
I
M
N
N
I
V
----
I
--
W
N
L
---
K
T
---
G
Q
L
L
K
K
--------
M
H
I
D
D
-
A
S
V
C
------
H
K
A
Y
S
E
M
G
L
L
F
----------
I
V
L
S
----
P
V
--
F
--
Q
L
I
V
I
N
P
K
-------
T
T
---------------------------------
L
---
S
V
----
G
----
V
--
M
L
Y
C
----------
L
P
P
G
Q
A
G
R
---------
F
---
L
E
G
-------
D
V
K
D
H
C
-------
A
A
----
A
I
L
T
S
G
T
I
A
I
--
W
D
L
L
L
---
G
Q
C
T
A
L
L
P
P
V
Q
H
W
S
F
V
K
W
-
S
G
T
D
S
--
H
L
--
L
A
G
Q
-
K
D
G
N
I
F
V
Y
H
Y
S-------------------------------------------------------------------
4
PsiBlast_PDB
69.76
29%
-154
- C5 -
3OE0
1
CXCR4_HUMAN (first)
A:
[50-183]
-----------------------------------
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
--------------
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
----
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
M
--
G
E
T
G
V
A
G
F
T
N
S
L
R
----------------------------------------------------------------------
1
PsiBlast_PDB
69.73
29%
-142
- C5 -
3OE6
5
CXCR4_HUMAN (first)
A:
[50-183]
-----------------------------------
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
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
M
G
E
T
-
G
V
A
G
F
--
S
L
--
R
M
L
Q
Q
K
R
W
D
E
A
A
V
----------------------------------------------------------------------
3
PsiBlast_PDB
69.52
29%
-144
- C5 -
3OE8
1
CXCR4_HUMAN (first)
A:
[50-183]
-----------------------------------
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
L
D
A
V
R
R
-
A
A
L
I
N
--
M
V
--
F
Q
M
G
E
T
G
V
A
G
F
T
N
----------------------------------------------------------------------
2
PsiBlast_PDB
68.61
29%
-141
- C5 -
3ODU
4
CXCR4_HUMAN (first)
A:
[50-183]
-----------------------------------
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
L
D
A
V
R
R
-
A
A
L
I
N
--
M
V
--
F
Q
M
G
E
T
G
V
A
G
F
T
N
----------------------------------------------------------------------
18
HHSearch
68.13
15%
-112
- C5 -
2LNL
-
CXCR1_HUMAN
A:
[38-322]
------------------------------------
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
TAK
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
VIQE
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
------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
67.25
29%
-142
- C5 -
3OE9
1
CXCR4_HUMAN (first)
A:
[50-183]
-----------------------------------
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
----
N
I
F
E
M
--
L
R
I
D
E
G
L
R
-------
L
K
-
I
-------------------
Y
K
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
M
G
--
E
T
--
G
V
A
G
F
T
N
S
L
R
M
L
Q
----------------------------------------------------------------------
38
Fugue
67.14
11%
-154
- C6 -
1H74
2
KHSE_METJA
A:
[1-296]
----------------------------------------
M
----
K
V
R
V
-------
K
A
P
C
---------------------------
T
S
A
N
L
G
------
V
G
F
DV
F
G
L
C
L
K
E
---------
P
--------------
Y
D
V
I
E
V
E
-------
A
I
D
D
--------
K
E
I
-
I
I
E
V
DDKN
I
P
T
D
P
D
-
K
N
V
A
G
I
-
V
------
A
K
--------
K
M
I
D
D
F
N
I
G
---
K
G
V
K
I
T
I
K
K
G
----------------
V
-
K
A
G
---
S
G
-
L
G
S
----------
S
------------------
A
A
S
S
A
G
T
A
Y
A
I
N
E
-----------------
L
F
K
---------------
L
N
-
L
D
K
---
L
K
L
V
D
Y
A
-----
S
Y
G
--
E
L
A
-------------------
S
S
G
A
K
--
H
A
D
N
V
A
P
A
I
F
G
----
G
F
T
M
V
T
N
-
Y
E
P
L
E
V
----
L
-
H
I
P
I
---
D
F
---
K
L
------------
D
I
L
I
A
I
P
N
I
S
------
I
N
T
K
E
A
R
E
I
L
P
-------------------------
K
A
V
G
L
K
D
L
-------
V
N
-
N
-------------------
V
G
K
A
C
G
M
V
Y
A
L
Y
N
---
K
D
----
K
----
S
--
L
F
G
R
Y
M
M
SD
K
V
I
E
P
V
R
G
K
L
I
P
N
---------
Y
---
F
K
I
-------
K
E
E
V
K
D
-------
K
V
----
Y
G
I
T
I
S
G
S
G
P
--
S
I
I
A
F
---
P
K
E
E
F
I
D
E
V
E
N
I
L
R
D
Y
Y
------
E
--
N
T
--
I
R
T
E
V
G
K
G
V
E
V
V
-----------------------------------------------------------------------
33
Fugue
66.49
11%
-153
* C6 *
1H72
3
KHSE_METJA
C:
[1-296]
----------------------------------------
M
----
K
V
R
V
-------
K
A
P
C
---------------------------
T
S
A
N
L
G
------
V
G
F
DVFG
L
C
L
K
E
---------
P
--------------
Y
D
V
I
E
V
E
-------
A
I
D
D
--------
K
E
I
-
I
I
E
V
DDKN
I
P
T
D
P
D
-
K
N
V
A
G
I
-
V
------
A
K
--------
K
M
I
D
D
F
N
I
G
---
K
G
V
K
I
T
I
K
K
G
----------------
V
-
K
A
G
---
S
G
-
L
G
S
----------
S
------------------
A
A
S
S
A
G
T
A
Y
A
I
N
E
-----------------
L
F
K
---------------
L
N
-
L
D
K
---
L
K
L
V
D
Y
A
-----
S
Y
G
--
E
L
A
-------------------
S
S
G
A
K
--
H
A
D
N
V
A
P
A
I
F
G
----
G
F
T
M
V
T
N
-
Y
E
P
L
E
V
----
L
-
H
I
P
I
---
D
F
---
K
L
D
------------
I
L
I
A
I
P
N
I
S
------
I
N
T
K
E
A
R
E
I
L
P
-------------------------
K
A
V
G
L
K
D
L
-------
V
N
-
N
-------------------
V
G
K
A
C
G
M
V
Y
A
L
Y
N
---
K
D
----
K
----
S
--
L
F
G
R
Y
M
M
SD
K
V
I
E
P
V
R
G
K
L
I
P
N
---------
Y
---
F
K
I
-------
K
E
E
V
K
D
-------
K
V
----
Y
G
I
T
I
S
G
S
G
P
--
S
I
I
A
F
---
P
K
E
E
F
I
D
E
V
E
N
I
L
R
D
Y
Y
------
E
--
N
T
--
I
R
T
E
V
G
K
G
V
E
V
V
-----------------------------------------------------------------------
6
PsiBlast_PDB
65.83
29%
-146
- C5 -
4RWS
-
CXCR4_HUMAN (first)
A:
[49-182]
-----------------------------------
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
--------------
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
C
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
----
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
M
--
G
E
T
G
V
A
G
F
T
N
S
L
R
----------------------------------------------------------------------
35
Fugue
65.79
13%
-158
* C4 *
2CDQ
5
AK1_ARATH
A:
[25-494]
-------------KGIT
C
V
M
K
F
G
GSSVAS
A
E
R
M
K
E
V
A
D
L
I
L
T
F
P
E
E
S
P
V
-------
I
V
L
S
---------------------------
A
M
G
K
T
T
------
N
N
L
----
L
L
A
G
E
---------
K
A
V
SCGVSNASEI
E
E
L
S
I
I
K
E
L
-------
H
I
R
T
--------
V
K
E
-
L
N
I
D
----
P
S
V
I
L
T
-
Y
L
E
E
L
E
-
Q
------
L
L
--------
K
G
I
A
M
M
K
E
L
-
T
-
L
R
T
R
D
Y
L
V
S
F
G
E
C
-----------
L
S
T
-
R
I
F
---
A
A
-
Y
L
N
----------
T
------------------
I
G
V
K
A
R
Q
Y
D
A
F
E
I
GFITTDDFT
N
G
D
I
L
EA
T
Y
P
A
---------------
V
A
-
K
R
L
---
Y
D
D
W
M
H
D
-----
P
A
V
--
P
I
V
T
G
F
L
G
K
G
WKTGAVTTLGRG
G
S
D
L
T
--
A
T
T
I
G
K
A
L
G
L
K
----
E
I
Q
V
W
K
D
-
V
D
G
V
L
T
----
C
D
P
T
I
Y
---
K
R
---
A
T
P
V
P
Y
--------
L
T
F
D
E
A
A
E
L
A
------
Y
F
G
A
Q
V
L
H
P
Q
S
----------
M
R
P
A
----
R
E
G
E
I
--
P
V
R
V
K
N
S
Y
-------
N
P
-
K
-------------------
A
P
G
T
I
I
T
K
T
R
D
M
T
KSI
L
T
----
S
----
I
--
V
L
K
R
N
V
T
--
M
L
D
I
A
S
T
R
M
L
G
Q
V
---------
G
---
F
L
A
-------
K
V
F
S
I
F
-------
E
E
L
G
I
S
V
D
V
V
A
T
S
E
V
S
--
I
S
L
T
L
---
D
P
S
K
L
W
S
R
E
L
I
Q
Q
E
L
D
H
V
-
V
E
E
L
E
--
K
I
--
A
V
V
N
L
L
K
G
R
A
I
I
S
L
I
GNVQH
S
S
L
I
L
E
R
A
F
H
V
L
Y
T
K
GVNVQ
M
I
S
Q
G
ASKV
N
I
S
F
I
V
N
EAE
A
E
G
C
V
Q
A
L
H
K
S
F
FESGDLSELLIQ
9
HHSearch
63.56
15%
-129
- C5 -
3ODU
6
CXCR4_HUMAN (first)
A:
[47-243]
------------------------------------
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
PN-
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
L
D
A
-
V
R
R
A
A
--
L
I
--
N
M
V
F
Q
M
G
E
T
G
V
A
G
----------------------------------------------------------------------