@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 : O51E1_HUMAN: (2016-01-12 )
MVDPNGNESSATYFILIGLPGLEEAQFWLAFPLCSLYLIAVLGNLTIIYIVRTEHSLHEPMYIFLCMLSGIDILISTSSMPKMLAIFWFNSTTIQFDACLLQMFAIHSLSGMESTVLLAMAFDRYVAICHPLRHATVLTLPRVTKIGVAAVVRGAALMAPLPVFIKQLPFCRSNILSHSYCLHQDVMKLACDDIRVNVVYGLIVIISAIGLDSLLISFSYLLILKTVLGLTREAQAKAFGTCVSHVCAVFIFYVPFIGLSMVHRFSKRRDSPLPVILANIYLLVPPVLNPIVYGVKTKEIRQRILRLFHVATHASEP
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)
---------------------------------------------------MVDPNGNES
S
A
T
Y
F
I
------
L
I
GL-----PGL--------------EEA
Q
F
W
L
A
F
P
L
C
S
L
Y
L
----
I
A
V
LGN
L
--
T
I
I
Y
------------------
I
VRTEHSLHE
P
M
Y
I
F
L
C
M
LSG
I
D
I
L
I
STS-S-M
P
K
M
L
A
I
F
W
-F-NS
T
------
T
I
Q
---
F
D
A
C
L
L
Q
M
F
A
I
H
SL---SGM
E
S
T
V
L
L
A
M
A
F
---------
D
R
Y
V
A
I
C
HPLRH
A
T
-----
V
---LTLPR---V-
T
K
I
G
V
A
A
V
VRG
A
A
LMA
P
L
-----
P
V
F
I
K
QLP-----
F
C
---------
R
S
N
I
LSH
S
Y
C
L
H
Q
D
V
M
K
LACD----
D
I
--
R
V
N
V
----------
V
-----
Y
G
L
I
V
----
I
I
S
A
-----------------------------
I
-
G
L
D
S
L
L
I
S
F
S
Y
-
L
L
I
L
K
T
V
-----LG----------L-
T
R
-----------
E
--------------------
A
Q
A
K
A
F
G
T
C
V
S
------
H
V
C
---------------------
A
V
F
I
F
Y
V
P
F
I
G
L
S
M
V
H
R
F
-------
S
K-R----------RD--SPL
P
V
I
L
A
N
I
Y
L
LVPP
V
L
N
P
I
V
Y---------GV
K
T
K
E
I
R
Q
R
I
L
R
L
F
H
V
A
---------------THASEP----------------------------------------------------------------------------------------------------
40
Fugue
91.35
17%
-121
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
------------------------------------------------------
M
N
G
T
E
G
P
N
F
Y
V
P
------
F
S
N
K
-----
T
G
V
VRSPFEAPQYYLAE
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
----
L
G
F
P
I
N
F
--
L
T
L
Y
------------------
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
-
G
-
F
T
T
T
L
Y
T
S
L
-
H
-
G
Y
F
------
V
F
G
---
P
T
G
C
N
L
E
G
F
F
A
T
L
G
---
G
E
I
A
L
W
S
L
V
V
L
A
I
---------
E
R
Y
V
V
V
C
K
P
M
S
N
F
R
-----
F
---
G
E
N
H
A
---
I
-
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
-----
V
G
W
S
R
Y
I
P
E
GMQC
S
C
---------
G
I
D
Y
Y
T
P
H
E
E
T
N
-------------------
N
E
----------
S
-----
F
V
I
Y
M
----
F
V
V
H
-----------------------------
F
-
I
I
P
L
I
V
I
F
F
C
Y
-
G
Q
L
V
F
T
V
KEAAA
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
VSKTETS
Q
V
A
P
A----------------------------------------------------------------------------------------
41
Fugue
90.05
17%
-118
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
---------------------------------------MN
G
T
E
G
PNFYVP
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
------
Q
Y
Y
L
-----
A
E
P
--------------
W
Q
F
S
M
L
A
A
Y
-
M
F
L
L
I
M
----
L
G
F
P
I
N
F
--
L
T
L
Y
------------------
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
-
G
-
F
T
T
T
L
Y
T
S
L
-
H
-
G
Y
F
------
V
F
G
---
P
T
G
C
N
L
E
G
F
F
A
T
L
G
---
G
E
I
A
L
W
S
L
V
V
L
A
I
---------
E
R
Y
V
V
V
C
K
P
M
S
N
F
R
-----
F
---
G
E
N
H
A
---
I
-
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
-----
V
G
W
S
R
Y
I
P
E
GMQC
S
C
G
I
DYYTP--
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
KNPLGDDEA
S
T
T
V
S
K
T
E
T
S
Q
V
APA-------------------------------------------------------------------------------------------------
34
HHSearch
87.77
17%
-135
- C3 -
2Z73
5
OPSD_TODPA
A:
[32-334]
---------------------------------------------------------------------------------------------------
A
V
Y
Y
S
L
G
I
F
I
G
I
C
G
I
----
I
G
C
G
G
N
G
--
I
V
I
Y
------------------
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
-
N
G
F
P
L
M
T
I
S
C
F
-
L
-
K
K
W
------
I
F
G
---
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
---
G
F
M
S
I
M
T
M
A
M
I
S
I
---------
D
R
Y
N
V
I
G
R
P
M
A
A
S
K
-----
K
---
M
S
H
R
R
---
A
-
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
-----
I
F
G
W
G
A
Y
T
-----
L
-------------
E
G
V
L
C
N
C
S
F
D
Y
I
S
R
---------
D
--
S
T
T
R
----------
S
-----
N
I
L
C
M
----
F
I
L
G
-----------------------------
F
-
F
G
P
I
L
I
I
F
F
C
Y
-
F
N
I
V
M
S
V
-----
S
N
----------
H
E
K
E
-----------
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
N
A
E
M
R
L
A
K
I
S
I
V
------
I
V
S
---------------------
Q
F
L
L
S
W
S
P
Y
A
V
V
A
L
L
A
Q
F
-------
G
P
-
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
----------------------------------------------------------------------------------------------------
28
HHSearch
87.40
17%
-135
- C3 -
2KS9
1
NK1R_HUMAN
A:
[34-325]
-------------------------------------------------------------------------------------------------------
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
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
-------
N
P
-
D
LY--------
L
K
KF
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
----------------------------------------------------------------------------------------------------
32
HHSearch
79.62
16%
-123
- C3 -
1U19
14
OPSD_BOVIN
A:
[41-328]
------------------------------------------------------------------------------------------------------
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
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
G
D
----------------------------------------------------------------------------------------------------
44
Fugue
78.70
18%
-140
- 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
DD
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
HSGSN
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
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
IGRNTNGV
I
-
T
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
M
G
E
T
G
V
A
G
F
----------------------
T
--
N
S
L
R
M
L
Q
Q
K
R
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
SK
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
43
Fugue
76.00
16%
-143
- C2 -
3ZPJ
-
?
A:
[1-356]
-------------------------------------------M
T
T
L
E
E
I
N
L
L
V
E
R
G
Y
Y
E
E
A
L
A
K
V
------
Y
E
I
E
-----
D
P
I
--------------
E
Q
V
Q
V
-
L
T
K
I
V
V
T
I
Y
Q
H
DGP
M
E
W
I
P
S
I
M
E
D
A
M
Y
------------------
I
A
K
K
L
R
D
P
A
N
K
A
V
A
Y
S
I
I
A
S
T
L
A
I
M
E
Y
E
E
-
D
-
A
M
D
F
F
N
R
A
I
-
D
-
E
A
N
------
E
I
E
S
P
I
E
K
G
M
V
L
S
T
L
A
Y
H
L
A
I
A
G
Y
P
D
N
A
L
E
I
F
N
I
A
F
---------
D
T
I
I
G
A
E
T
S
Y
T
H
K
V
-----
D
---
G
I
L
R
I
---
G
-
D
L
L
E
K
A
G
D
T
L
P
S
N
E
A
M
D
F
Y
K
M
A
F
D
I
F
D
K
L
H
V
-----
N
Q
---------
R
A
A
I
V
E
K
K
I
E
L
A
K
T
V
Y
D
V
G
L
P
----
Q
I
--
R
A
A
L
----------
L
K
GK
N
H
Y
A
L
A
I
----
I
K
K
K
-----------------------------
Y
S
G
V
M
R
L
I
G
E
L
E
V
-
A
L
W
M
K
R
V
-----
N
N
----------
M
E
Y
L
-----------
D
--------------------
V
V
D
K
A
F
E
C
C
E
S
PRFT
D
V
N
V
Q
---------------------
H
I
A
R
L
L
T
E
L
G
N
L
R
R
A
L
K
F
A
K
E
IQN
I
H
K
-
R
----------
S
E
--
A
L
K
A
I
A
L
E
L
V
R
R
K
K
F
E
E
V
K
K
I
I
E
---------
S
I
P
D
P
K
I
R
E
E
A
L
N
E
I
G
T
I
---------------
E
---------------------------------------------------------------------------------------------------------
49
Fugue
70.16
14%
-141
- C1 -
4P0G
9
MLTF_PSEAE
A:
[7-435]
APT
A
L
E
R
V
Q
K
E
G
V
L
R
V
I
T
R
NSPA
T
Y
F
Q
D
RN
G
E
T
G
F
E
Y
E
L
A
K
R
F
A
E
R
L
G
V
E
L
K
I
E
T
A
D
N
L
D
D
L
Y
A
Q
L
S
REGGP
A
L
A
A
-----
A
G
L
--------------
T
P
G
R
E
D
D
A
S
V
R
Y
S
H
T
Y
----
L
D
V
--
T
P
--
Q
I
I
Y
R
N
GQQRPTRPEDLVGKR
I
M
V
L
K
G
S
S
H
A
E
Q
L
A
E
L
K
K
Q
Y
P
E
L
K
Y
E
E
S
D
A
V
E
-
V
V
D
L
L
R
M
V
D
-
V
-
G
D
I
D
L
T
L
V
D
S
N
E
---
L
A
M
N
Q
V
Y
F
P
N
V
R
V
A
---
F
D
F
G
E
A
R
G
L
A
W
A
L
P
G
G
DDD
S
L
M
N
E
V
N
A
F
L
D
Q
A
K
K
E
G
-----
L
---
L
Q
R
L
K
---
D
-
R
Y
Y
G
H
V
D
V
L
G
Y
V
G
A
Y
T
F
A
-----
Q
H
L
Q
Q
R
L
P
-----
R
Y
---------
E
S
H
F
K
Q
S
G
K
Q
L
D
T
D
W
R
L
L
A
A
I
----
G
Y
--
Q
E
S
L
WQPGATSKTG
V
-----
R
G
L
M
M
LT
N
R
T
A
Q
A
-----------------------------
M
-
G
V
S
N
R
L
D
P
K
Q
S
-
I
Q
G
G
S
K
Y
-----
F
V
----------
Q
-
I
R
-----------
S
--------------------
E
L
P
E
S
I
K
E
P
D
R
------
S
W
F
---------------------
A
L
A
A
Y
N
I
G
G
A
H
L
E
D
A
R
K
M
-------
A
E
-
K
----------
E
G
--
L
N
-
P
N
K
W
L
D
V
K
K
M
L
P
R
L
A
Q
K
Q
W
Y
AKTRYGYAR
G
G
E
T
V
H
F
V
Q
N
V
R
R
Y
Y
D
I
L
---------------
T
W
V
T
Q
P
Q---------------------------------------------------------------------------------------------------
30
HHSearch
68.69
16%
-129
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[37-323]
---------------------------------------------------------------------------------------------------
L
N
K
Y
V
V
I
I
A
Y
A
L
V
F
L
----
L
S
L
L
G
N
S
--
L
V
M
L
------------------
V
I
L
Y
S
R
V
G
R
S
V
T
D
V
Y
L
L
N
L
A
L
A
D
L
L
F
A
L
--
T
-
L
P
I
W
A
A
S
K
--
V
-
N
G
W
------
I
F
G
---
T
F
L
C
K
V
V
S
L
L
K
E
V
N
---
F
Y
S
G
I
L
L
L
A
C
I
S
V
---------
D
R
Y
L
A
I
V
H
A
T
R
T
L
T
---------
Q
K
R
H
L
---
V
-
K
F
V
C
L
G
C
W
G
L
S
M
N
L
S
L
P
F
-----
F
L
F
R
Q
A
Y
H
-----
P
-------------
N
N
S
S
P
V
C
Y
E
V
L
G
N
D
--------
T
A
--
K
W
R
M
----------
V
-----
L
R
I
L
P
----
H
T
F
G
-----------------------------
F
-
I
V
P
L
F
V
M
L
F
C
Y
-
G
F
T
L
R
T
L
-----
F
K
----------
A
-
H
M
-----------
G
--------------------
Q
K
H
R
A
M
R
V
I
F
A
------
V
V
L
---------------------
I
F
L
L
C
W
L
P
Y
N
L
V
L
L
A
D
T
L
-------
M
R
-
T
QVIQE
S
C
E
R
R
N
N
--
I
G
R
A
L
D
A
T
E
I
L
G
F
L
H
S
C
L
N
P
I
I
Y
---------
A
F
I
G
Q
N
F
R
H
G
F
L
K
I
L
A
M
H
---------------
G
---------------------------------------------------------------------------------------------------------
48
Fugue
68.21
12%
-138
- C4 -
2DSK
5
?
A:
[1-300]
----------------------------------------------------
G
P
N
A
N
P
I
P
E
H
F
F
A
P
------
Y
I
D
M
SLSVH
K
P
L
--------------
V
E
Y
A
K
L
T
G
T
K
Y
F
T
L
A
F
----
I
L
Y
S
S
V
Y
--
N
G
P
A
------------------
W
A
G
S
I
P
L
E
K
F
V
D
E
V
R
E
L
R
E
I
G
G
E
V
I
I
A
F
G
-
G
-
A
V
G
P
Y
L
C
Q
Q
-
A
-
S
T
-------
P
E
Q
---
L
A
E
W
Y
I
K
V
I
D
T
Y
N
A
---
T
Y
L
D
F
D
I
E
A
G
I
D
A
---------
D
K
L
A
D
A
L
L
I
V
Q
R
E
R
PW
V
K
F
S
---
F
T
L
P
S
---
D
-
P
G
I
G
L
A
G
G
Y
G
I
I
E
T
M
A
K
K
-----
G
V
R
V
D
R
V
N
-----
P
M
TMDYYWTPS
N
A
E
N
A
I
K
V
A
E
N
V
F
R
Q
L
K
Q
I
Y
P
----
E
K
--
S
D
E
E
----------
I
-----
W
K
M
I
G
----
L
T
P
M
-----------------------------
I
-
G
V
N
D
D
K
S
V
F
T
-----
L
E
D
A
-----
Q
Q
----------
L
-
V
D
-----------
W
--------------------
A
I
Q
H
-----------------------------------------------
K
I
G
S
L
A
F
W
-------
S
V
-
D
----------
R
D
--
H
P
G
P
----------
T
G
E
V
S
P
L
H
R
---------
G
T
N
D
P
D
--
W
A
F
S
H
V
F
V
K
F
---------------
M
E
A
F
G
Y
TF--------------------------------------------------------------------------------------------------
22
HHSearch
66.32
21%
-143
- C3 -
3UON
2
ACM2_HUMAN (first)
A:
[24-215]
------------------------------------------------------------------------------------------------------
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
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
----------------------------------------------------------------------------------------------------
26
HHSearch
65.73
21%
-149
- C3 -
3EML
8
ENLYS_BPT4
A:
[22-222]
------------------------------------------------------------------------------------------------------
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
DV
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
K
P
V
----------------------------------------------------------------------------------------------------
24
HHSearch
63.43
16%
-129
- C3 -
2RH1
6
ADRB2_HUMAN (first)
A:
[41-236]
------------------------------------------------------------------------------------------------------
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
----------------------------------------------------------------------------------------------------
31
HHSearch
63.17
19%
-135
* C3 *
3PBL
1
DRD3_HUMAN (first)
A:
[41-227]
--------------------------------------------------------------------------------------------------------
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
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
----------------------------------------------------------------------------------------------------
23
HHSearch
61.74
20%
-131
- C3 -
3RZE
2
ENLYS_BPT4 (first)
A:
[10-201]
-------------------------------------------------------------------------------------------------------
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
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
----------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
61.27
28%
-135
- C3 -
4U15
1
ACM3_RAT
A:
[15-152]
--------------------------------------------------------------------------------------------------------
I
A
F
L
T
G
F
L
A
L
----
V
T
I
I
G
N
I
--
L
V
I
V
------------------
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
L
A
C
A
D
L
I
I
G
V
I
-
S
-
M
N
L
F
T
T
Y
I
I
-
M
-
N
R
W
------
A
L
G
---
N
L
A
C
D
L
W
L
S
I
D
Y
V
A
---
S
N
A
S
V
M
N
L
L
V
I
S
F
---------
D
R
Y
F
S
I
T
R
P
L
T
Y
R
A
-----
K
---
R
T
T
K
R
---
A
G
V
M
I
G
L
A
W
V
I
-
S
F
V
L
W
A
P
A
-----
I
L
F
W
Q
Y
F
V
-----
G
K
---------
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
T
F
G
----
T
A
--
I
A
A
F
----------
Y
-----
M
P
V
T
I
----
M
T
I
L
-----------------------------
Y
-
W
R
I
Y
K
E
T
E
K
M
N
-
I
F
E
M
L
R
I
-----
D
E
----------
G
-
G
G
-----------
S
--------------------
G
G
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
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
---------------
R
W
Y
N
Q
T
----------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
60.83
28%
-142
- C3 -
4U14
1
ENLYS_BPT4
A:
[15-152]
--------------------------------------------------------------------------------------------------------
I
A
F
L
T
G
F
L
A
L
----
V
T
I
I
G
N
I
--
L
V
I
V
------------------
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
L
A
C
A
D
L
I
I
G
V
I
-
S
-
M
N
L
F
T
T
Y
I
I
-
M
-
N
R
W
------
A
L
G
---
N
L
A
C
D
L
W
L
S
I
D
Y
V
A
---
S
N
A
S
V
M
N
L
L
V
I
S
F
---------
D
R
Y
F
S
I
T
R
P
L
T
Y
R
A
-----
K
---
R
T
T
K
R
---
A
G
V
M
I
G
L
A
W
V
I
-
S
F
V
L
W
A
P
A
-----
I
L
F
W
Q
Y
F
V
-----
G
K
---------
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
T
F
G
----
T
A
--
I
A
A
F
----------
Y
-----
M
P
V
T
I
----
M
T
I
L
-----------------------------
Y
-
W
R
I
Y
K
E
T
E
K
M
N
-
C
F
E
M
L
R
I
-----
D
E
----------
G
-
L
R
-----------
L
--------------------
K
I
Y
K
D
C
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
C
A
L
----------------------------------------------------------------------------------------------------
46
Fugue
60.19
13%
-149
* C4 *
1K3R
-
?
A:
[1-262]
--------------------------------------------------------
M
N
R
V
D
L
S
L
F
I
------
P
D
S
L
-----
T
A
E
--------------
T
G
D
L
K
I
K
T
Y
K
V
V
L
I
A
R
----
A
A
S
I
F
G
V
--
K
R
I
V
------------------
I
Y
H
D
D
A
D
G
E
---------
A
R
F
I
R
D
I
L
T
Y
M
-
D
-
T
P
Q
Y
L
R
R
K
V
-
F
P
I
M
R
------
E
L
K
---
H
V
G
I
L
P
P
L
R
T
P
H
H
P
---
T
G
K
P
V
T
-----------------------
G
E
Y
R
Q
G
L
-----
T
---
V
K
R
V
K
K
G
T
L
-
V
D
I
G
A
D
K
L
A
L
C
R
E
K
L
T
V
N
-----
R
I
M
S
F
R
V
V
-----
R
L
---------
G
K
E
I
L
I
E
P
D
E
P
E
D
R
Y
----------------------------------
W
G
Y
E
V
----
L
D
T
R
-----------------------------
R
-
N
L
A
E
S
L
K
T
V
G
A
D
V
V
V
A
T
S
R
-----
N
A
----------
S
-
P
I
-----------
T
--------------------
S
I
L
D
E
V
K
T
R
M
R
------
G
A
R
---------------------
E
A
A
I
L
F
G
G
-------------------------------
P
Y
--
K
G
L
P
E
I
D
A
D
I
W
V
N
T
L
P
G
-----
Q
---------
C
T
E
T
V
R
T
E
E
A
V
L
A
T
L
S
V
F
---------------
N
M
L
T
Q
-----------------------------------------------------------------------------------------------------
25
HHSearch
60.14
17%
-137
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[48-239]
-----------------------------------------------------------------------------------------------------
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
----------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
60.07
28%
-136
- C3 -
4U16
1
?
A:
[15-152]
--------------------------------------------------------------------------------------------------------
I
A
F
L
T
G
F
L
A
L
----
V
T
I
I
G
N
I
--
L
V
I
V
------------------
A
F
K
V
N
K
Q
L
K
T
V
N
N
Y
F
L
L
S
L
A
C
A
D
L
I
I
G
V
I
-
S
-
M
N
L
F
T
T
Y
I
I
-
M
-
N
R
W
------
A
L
G
---
N
L
A
C
D
L
W
L
S
I
D
Y
V
A
---
S
N
A
S
V
M
N
L
L
V
I
S
F
---------
D
R
Y
F
S
I
T
R
P
L
T
Y
R
A
-----
K
---
R
T
T
K
R
---
A
G
V
M
I
G
L
A
W
V
I
-
S
F
V
L
W
A
P
A
-----
I
L
F
W
Q
Y
F
V
-----
G
K
---------
R
T
V
P
P
G
E
C
F
I
Q
F
L
S
E
P
T
I
T
F
G
----
T
A
--
I
A
A
F
----------
Y
-----
M
P
V
T
I
----
M
T
I
L
-----------------------------
Y
-
W
R
I
Y
K
E
T
E
K
M
N
-
I
F
E
M
L
R
I
-----
D
E
----------
G
-
G
G
-----------
S
--------------------
G
G
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
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
---------------
R
W
Y
N
Q
T
----------------------------------------------------------------------------------------------------