@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 : O52I1_HUMAN: (2016-01-12 )
MLGPAYNHTMETPASFLLVGIPGLQSSHLWLAISLSAMYITALLGNTLIVTAIWMDSTRHEPMYCFLCVLAAVDIVMASSVVPKMVSIFCSGDSSISFSACFTQMFFVHLATAVETGLLLTMAFDRYVAICKPLHYKRILTPQVMLGMSMAVTIRAVTFMTPLSWMMNHLPFCGSNVVVHSYCKHIALARLACADPVPSSLYSLIGSSLMVGSDVAFIAASYILILRAVFDLSSKTAQLKALSTCGSHVGVMALYYLPGMASIYAAWLGQDIVPLHTQVLLADLYVIIPATLNPIIYGMRTKQLLEGIWSYLMHFLFDHSNLGS
Atome Classification :
(20 SA)
-------------.........10...----.....20..--......30-........--------------.40.------------------------------.......50........60.-------.......70..-----......80-.......---.-------90--------.........100.......110..--------.....120.......130.---.---.....---140.....-..150........160-....-...170----...-------...-..180.....----..190--...--....----.----.-200...--....210..------.....220-.........230-----------....-------------------------------------------------------------------------------------------------------------------------------------------------------------------....240....------...250.....-----------------------..260.......270--------.---------.-..--....280--...----....290...------....300......--.310....-------------...320..-------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-------------MLGPAYNHTMETPA----
S
F
L
L
V
GIPG--LQSS
H
L
W
--
L
A
I
S
L
S
A
M
--------------
Y
I
T
A
------------------------------
L
LGN
T
L
I
V
T
A
I
W
MDSTRHE
P
-------
M
Y
C
F
L
C
V
L
A
A
V
-----
D
I
V
M
A
S
S
V
-
V
P
K
M
V
S
I
---
F
-------C---------SGDSSI
S
F
S
A
C
F
T
Q
M
F
F
V
H
L
A
T
A
V
--------ET
G
L
L
L
T
M
A
F
D
R
Y
V
A
I
CKP---
L
---
H
Y
K
RI---L
T
P
Q
V
M
LG-M
S
M
-
A
V
T
I
R
A
V
T
FMT
P
-
L
S
W
M
-
M
NHLP-----FCG-------S
N
V
-
V
V
H
S
Y
C
K
H
I
A
----
L
A
R
----
L
AC--ADPV----
P
----
S
-
S
L
Y
S
L
I
--
G
S
S
LMVG
S
D
------
V
A
F
I
A
A
---
S
Y
I
L
I
L
R
A
V
F
D------------LSSK-------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
A
Q
L
K
A
L
S
T
C
G
------
S
H
V
G
V
M
A
L
Y
YL-----------------------P
G
M
A
S
I
Y
A
A
W
LGQD---------
I
---------
V
-
P
L
--
H
T
Q
V
L
L
A
--
D
L
Y
----
V
I
IPAT
L
N
P
I
------
I
Y
G
M
R
T
K
Q
L
L
E
G
I
--
W
S
Y
L
M
H
F
L
-------------FDHSNLGS-------------------------------------------------------------------------------------------------------------------------------------
24
HHSearch
92.98
20%
-144
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[40-477]
----------------------------------------------
V
V
G
--
M
G
I
V
M
S
L
I
--------------
V
L
A
I
------------------------------
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
-------
T
N
Y
F
I
T
S
L
A
C
A
-----
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
---
I
-------
L
---------
M
K
M
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
--------
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
---
F
---
K
Y
Q
S
L
---
L
T
K
N
K
A
R
V
-
I
I
L
-
M
V
W
I
V
S
G
L
T
S
F
L
-
P
I
Q
M
H
W
Y
R
A
T
-----
H
Q
-------------
E
A
I
N
C
Y
A
E
------------
E
T
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
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
TGTWDAYKFC--
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
28
HHSearch
91.13
20%
-154
- C2 -
3EML
13
ENLYS_BPT4
A:
[22-472]
-----------------------------------------------
S
V
--
Y
I
T
V
E
L
A
I
--------------
A
V
L
A
------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
-------
T
N
Y
F
V
V
S
L
A
A
A
-----
D
I
A
V
G
V
L
A
-
I
P
F
A
I
T
I
---
S
-------
T
-----------
G
F
C
A
A
C
H
G
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
--------
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
---
L
---
R
Y
N
G
L
---
V
T
G
T
R
A
K
G
-
I
I
A
-
I
C
W
V
L
S
F
A
I
G
L
T
-
P
M
L
G
-
W
N
N
C
G
-----
Q
---------------
S
Q
G
C
G
E
G
Q
----
V
-------
A
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
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTW
D
A
Y
R
S
T
L
-
Q
K
E
V
H
A
A
K
S
L
A
------
I
I
V
G
L
F
A
L
C
W
L
-----------------------
P
L
H
I
I
N
C
F
T
F
F
C
P
D
---------
C
S--------
H
-
A
P
--
L
W
L
M
Y
L
A
--
I
V
L
----
S
H
T
N
S
V
V
N
P
F
------
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
--
R
K
I
I
R
S
H
V
-------------
L
R
Q
------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
86.93
16%
-140
- C2 -
2Z73
5
OPSD_TODPA
A:
[32-333]
--------------------------------------------
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
D
D
K
-------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
86.71
15%
-142
- C2 -
3UON
4
ACM2_HUMAN (first)
A:
[24-457]
-----------------------------------------------
V
F
--
I
V
L
V
A
G
S
L
--------------
S
L
V
T
------------------------------
I
I
G
N
I
L
V
M
V
S
I
K
V
N
R
H
L
Q
T
V
-------
N
N
Y
F
L
F
S
L
A
C
A
-----
D
L
I
I
G
V
F
S
-
M
N
L
Y
T
L
Y
---
T
-------
V
---------
I
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
A
--------
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
---
L
---
T
Y
P
V
K
---
R
T
T
K
M
A
G
M
-
M
I
A
-
A
A
W
V
L
S
F
I
L
W
A
P
-
A
I
L
F
-
W
Q
F
I
V
-----
G
V
R
---------
T
-
V
E
D
G
E
C
Y
I
Q
F
----
F
-------------------
S
----
N
-
A
A
V
T
F
G
--
T
A
I
A
A
F
Y
L
P
------
V
I
I
M
T
V
---
L
Y
W
H
I
S
R
A
S
K
S
------------
R
I
N
I
F
E
M
L
R
I
D
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYPPP--
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
-------------------------------------------------------------------------------------------------------------------------------------------------------------
41
Fugue
86.63
16%
-119
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
---MN
G
T
E
G
PNFY
V
P
F
S
N
K
T
G
V
V
R
S
P
F
----
E
A
P
Q
Y
Y
L
-
A
--
E
P
W
Q
F
S
M
--
L
A
A
Y
M
F
L
L
--------------
I
M
L
G
------------------------------
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
-------
L
N
Y
I
L
L
N
L
A
V
A
-----
D
L
F
M
V
F
G
G
-
F
T
T
T
L
Y
T
---
S
-------
L
---------
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
--------
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
---
M
---
S
N
F
R
F
---
G
E
N
H
A
I
M
G
-
V
A
F
-
T
W
V
M
A
L
A
C
A
A
P
P
-
L
V
G
W
-
S
R
Y
I
P
E
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
K
E
A
A
A
---
S
A
----------------------
T
T
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
A
E
K
E
V
T
R
M
V
I
------
I
M
V
I
A
F
L
I
C
W
L
-----------------------
P
Y
A
G
V
A
F
Y
I
F
T
H
Q
G
---------
S
---------
D
-
F
G
--
P
I
F
M
T
I
P
--
A
F
F
----
A
K
T
S
A
V
Y
N
P
V
------
I
Y
I
M
M
N
K
Q
F
R
N
C
M
--
V
T
T
L
C
C
G
K
-------------
N
P
S
T
T
V
S
K
TETS
Q
V
A
P
A----------------------------------------------------------------------------------------------------------------------------
31
HHSearch
83.54
17%
-146
- C2 -
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
---------
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
A
G
D
Y
E
-------------------------------------------------------------------------------------------------------------------------------------
23
HHSearch
82.86
16%
-146
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[11-443]
---------------------------------------------------
L
V
V
V
L
S
T
I
--------------
C
L
V
T
------------------------------
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
-------
G
N
L
Y
I
V
S
L
S
V
A
-----
D
L
I
V
G
A
V
V
-
M
P
M
N
I
L
Y
---
L
-------
L
---------
M
S
K
W
S
L
G
R
P
L
C
L
F
W
L
S
M
D
Y
V
A
S
T
A
--------
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
---
L
---
R
Y
L
K
Y
---
R
T
K
T
R
A
S
A
-
T
I
L
-
G
A
W
F
L
S
F
L
W
V
I
P
-
I
L
-
G
-
W
N
H
---------------------
R
R
E
D
K
C
E
T
D
F
----
Y
-------------------
D
----
V
-
T
W
F
K
V
M
--
T
A
I
I
N
F
Y
L
P
------
T
L
L
M
L
W
---
F
Y
A
K
I
Y
K
A
V
R
Q
------------
H
C
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYLHM--
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
------------------------------------------------------------------------------------------------------------------------------------------------------------
42
Fugue
81.87
16%
-101
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
----------MN
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
GVVR
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
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
---------------------
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
TETSQVAPA----------------------------------------------------------------------------------------------------------------------
47
Fugue
77.87
20%
-124
* C3 *
2IQH
-
?
A:
[21-489]
--NAT
E
I
R
A
S
V
G
K
M
I
D
G
I
G
R
F
Y
I
Q
M
C
T
----
E
L
K
L
S
D
Y
E
G
R
L
I
Q
N
S
L
T
I
--
E
R
M
V
L
S
A
F
DT
G
G
P
I
Y
R
R
V
DG
K
W
R
R
E
L
------------------------------
I
L
Y
D
K
E
E
I
R
R
I
W
R
Q
A
N
N
G
D
D
A
T
A
G
L
T
H
M
M
I
W
H
S
N
L
N
D
A
T
Y
QR
T
R
A
L
V
R
T
G
M
-
D
P
R
M
C
S
L
---
M
QGSTLPR
R
---------
S
G
A
A
G
A
A
V
K
G
V
G
T
M
V
M
E
L
I
R
M
I
K
R
--------
G
I
N
R
R
T
R
I
A
Y
E
R
M
C
N
I
L
K
G
K
FQ
T
---
A
A
Q
R
T
---
M
V
D
Q
V
R
E
S
-
R
N
P
G
N
A
E
F
E
D
L
I
F
L
A
R
-
S
A
L
I
-
L
R
G
S
V
-----
A
H
K
-------
S
C
L
-
P
A
C
V
Y
G
S
A
V
A
S
GYD
F
E
R
EGYS
L
V
G
--
I
D
P
F
----
R
L
L
Q
N
S
-
Q
V
Y
S
L
I
R
P
N
E
N
P
A
H
K
S
Q
------
L
V
W
M
A
C
H
SA
A
F
E
D
L
R
V
S
S
F
I
------------
R
G
T
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
V
P
R
G
K
L
S
T
R
G
VQIASN
E
N
M
E
T
M
E
S
S
T
L
E
LRSRYWAIRTRSGGNTS-----
S
G
Q
I
S
I
Q
P
T
F
S
V
Q
R
---------
N
---------
L
-
P
F
--
D
R
P
T
I
M
A
AS
D
M
R
----
T
E
I
I
R
L
M
E
S
A
RPEDVS
F
Q
G
R
G
V
F
E
L
S
D
E
K
--
A
T
S
P
I
V
P
S
-------------
F
D
M
S
N
E
G
S
YFF----------------------------------------------------------------------------------------------------------------------------------
25
HHSearch
76.47
15%
-136
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-499]
--------------------------------------------
F
N
K
I
F
--
L
P
T
I
Y
S
I
I
--------------
F
L
T
G
------------------------------
I
V
G
N
G
L
V
I
L
V
M
G
Y
Q
K
K
L
R
S
M
-------
T
D
K
Y
R
L
H
L
S
V
A
-----
D
L
L
F
V
-
I
T
-
L
P
F
W
A
V
D
---
A
-------
V
----------
A
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
--------
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
---
T
---
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
-
V
Y
V
-
G
V
W
I
P
A
L
L
L
T
I
P
-
D
F
I
F
-
A
N
V
S
E
-----------------
A
-
D
D
R
Y
I
C
D
R
F
Y
----
P
N
------------
D
L
----
W
----
V
-
V
V
F
Q
F
Q
--
H
I
M
V
G
L
I
L
P
------
G
I
V
I
L
S
---
C
Y
C
I
I
I
S
K
L
S
H
------------
S
G
S
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
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
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
--------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
74.93
15%
-136
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[38-323]
---------------------------------------------
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
---------
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
----------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
72.96
15%
-138
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[62-495]
---------------------------------------------
S
I
K
L
--
T
S
V
V
F
I
L
I
--------------
C
C
F
I
------------------------------
I
L
E
N
I
F
V
L
L
T
I
W
K
T
K
K
F
H
R
P
-------
M
Y
Y
F
I
G
N
L
A
L
S
-----
D
L
L
A
G
V
A
Y
-
T
A
N
L
L
L
S
---
G
-------
A
----------
T
T
Y
K
L
T
P
A
Q
W
F
L
R
E
G
S
M
F
V
A
L
S
A
--------
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
-----------------
N
N
F
R
L
F
L
-
L
I
S
-
A
C
W
V
I
S
L
I
L
G
G
L
-
P
I
M
G
-
W
N
C
I
--------------------
S
A
L
S
S
C
S
T
V
L
----
P
L
------------------
Y
----
H
-
K
H
Y
-
I
L
--
F
C
T
T
V
F
T
L
L
------
L
L
S
I
V
I
---
L
Y
C
R
I
Y
S
L
V
R
T
------------
R
N
I
F
E
M
L
R
IDEGLRL
K
I
Y
K
D
TE
G
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYA
S
R
S
--
S
E
N
V
A
L
L
K
T
V
I
------
I
V
L
S
V
F
I
A
C
W
A
-----------------------
P
L
F
I
L
L
L
L
D
V
G
C
K
V
---------
K
T--------
C
-
D
I
--
L
F
R
A
E
Y
F
--
L
V
L
----
A
V
L
N
S
G
T
N
P
I
------
I
Y
T
L
T
N
K
E
M
R
R
A
F
--
I
R
I
M
G
R
P
L
----------------------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
71.49
16%
-120
* C2 *
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
QQESA
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
-------------------------------------------------------------------------------------------------------------------------------------
49
Fugue
70.19
19%
-141
- C3 -
2Q06
-
?
A:
[22-496]
A
T
E
I
R
A
S
V
G
R
M
V
G
G
I
G
R
F
Y
I
Q
M
C
T
E
L
----------
K
L
S
D
--
Q
E
G
R
L
I
Q
--
N
S
I
T
I
E
R
M
--------------
V
L
S
A
F
DERRNRYKDPK
K
T
G
G
PIYRRRD
G
K
W
V
R
E
L
I
L
Y
D
K
E
E
I
R
R
I
W
R
Q
A
N
N
G
E
D
AT
A
G
L
T
H
M
M
I
W
H
S
N
L
N
D
A
T
YQR
T
R
A
L
V
R
T
G
M
-
D
P
R
M
C
S
L
---
M
-------
Q
GSTLPRRSG
A
A
G
A
A
I
K
G
V
G
T
M
V
M
E
L
I
R
M
I
K
R
G
I
NDRNFWRG
E
N
G
R
R
T
R
I
A
Y
E
R
M
C
N
I
L
K
G
---
K
FQT
A
A
Q
K
A
---
M
M
D
Q
V
R
E
S
-
R
N
P
G
N
A
E
I
E
D
L
I
F
L
A
R
-
S
A
L
I
-
L
R
G
S
I
-----
A
H
K
-------
S
C
L
-
P
A
C
V
Y
G
L
A
V
A
S
GYD
F
E
R
E
G
Y
S
L
V
G
--
I
D
P
F
R
L
L
Q
N
----
S
-
Q
V
F
S
L
I
R
P
N
E
N
P
A
H
K
S
Q
------
L
V
W
M
A
C
H
SA
A
F
E
D
L
R
V
S
S
F
I
------------
R
G
T
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
I
P
R
G
Q
L
S
T
R
G
VQIASN
E
N
V
E
A
M
D
S
S
T
L
ELRSR
Y
W
A
I
R
T
RSG
G
N
T
N
Q
Q
RA
S
A
G
Q
I
S
V
Q
P
T
F
S
V
Q
R
---------
N
---------
L
-
P
F
--
E
R
A
T
I
M
A
--
A
F
K
GNTE
G
R
T
S
D
M
R
T
E
I
------
I
R
M
M
E
S
A
R
P
E
D
V
S
--
F
Q
G
R
G
V
F
E
LSDEKAT
N
P
I
V
P
S
F
D
M
S
N
E
G
S
YFFGDNAEEY---------------------------------------------------------------------------------------------------------------------------
45
Fugue
67.84
12%
-141
- C2 -
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
GIGHL
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
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
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
1
PsiBlast_PDB
67.28
30%
-158
- C2 -
3EML
8
ENLYS_BPT4
A:
[18-188]
------------------------------------------
I
M
G
S
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
STG
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
LF
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
-------------
K
P
V
Y
D
S
L
D
-------------------------------------------------------------------------------------------------------------------------------------
48
Fugue
64.39
16%
-138
- C1 -
4TVS
-
TOIP1_HUMAN
A:
[8-231]
--------------
V
E
T
T
A
V
Q
E
F
Q
N
Q
M
----
N
Q
L
K
N
K
Y
Q
G
---
Q
D
E
K
L
W
--
K
R
-
S
Q
T
F
L
--------------
E
K
H
L
------------------------------
N
S
S
H
P
R
S
Q
P
A
I
L
L
L
T
A
A
R
D
A
-------
E
E
A
L
R
C
L
S
E
Q
I
-----
A
D
A
Y
S
S
F
R
-
S
V
R
A
I
R
I
---
D
-------
G
---------
T
D
K
A
T
Q
D
-----------
S
D
T
V
K
L
--------
E
V
D
Q
E
L
S
N
G
F
K
N
-----------------------------
G
-
Q
N
A
-
A
V
V
H
R
-------------
F
E
S
F
P
------
A
G
-------
S
T
L
-
I
F
Y
K
Y
C
D
H
-------------------------------------------------------------------------------------------
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
A
A
F
K
D
V
--------------
A
L
V
L
T
V
L
-----------------------
L
E
E
E
T
L
G
T
S
L
G
L
K
E
---------
V
---------
E
-
E
K
--
V
R
D
F
L
K
V
--
K
F
T
----
N
----
S
N
T
P
N
------
S
Y
N
H
M
D
P
D
K
L
N
G
L
--
W
S
R
I
S
H
L
V
-------------
L
P
V
Q
P
E
N
A
LKRGICL------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
64.07
20%
-153
- C2 -
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
P
V
Y
D
S
-------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
63.91
30%
-159
- C2 -
3QAK
2
ENLYS_BPT4
A:
[18-188]
------------------------------------------
I
M
G
S
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
TG
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
LF
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
-------------
K
P
V
Y
D
S
L
D
-------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
63.49
30%
-161
- C2 -
4EIY
19
AA2AR_HUMAN (first)
A:
[24-179]
------------------------------------
G
A
P
P
--
I
M
G
S
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
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
T
R
N
A
Y
-------------
I
Q
K
Y
L
E
R
A
-------------------------------------------------------------------------------------------------------------------------------------