@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 : OR5L1_HUMAN: (2016-01-13 )
MGKENCTTVAEFILLGLSDVPELRVCLFLLFLLIYGVTLLANLGMIALIQVSSRLHTPMYFFLSHLSSVDFCYSSIIVPKMLANIFNKDKAISFLGCMVQFYLFCTCVVTEVFLLAVMAYDRFVAICNPLLYTVTMSWKVRVELASCCYFCGTVCSLIHLCLALRIPFYRSNVINHFFCDLPPVLSLACSDITVNETLLFLVATLNESVTIMIILTSYLLILTTILKMGSAEGRHKAFSTCASHLTAITVFHGTVLSIYCRPSSGNSGDADKVATVFYTVVIPMLNSVIYSLRNKDVKEALRKVMGSKIHS
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)
--------------MGK
E
N
C
T
T
V
A
E
F
I
L
LGLSD
V
P
E
L
R
----------------
V
C
L
F
L
L
F
L
------
L
I
Y
G
V
T
L
L
A
N
L
G
M
I
A
L
I
---------
Q
V
S
SRLH
T
P
M
Y
F
F
L
S
H
L
S
S
V
D
F
C
Y
S
S
I
I
-
V
P
K
M
L
A
N
I
F-NK
D
K
A
I
S
F
L
G
C
--------
M
V
Q
F
Y
---------------------
L
F
C
T
C
V
V
T
E
V
F
L
L
A
V
M
A
Y
D
R
F
V
A
I
C
----
N
P
L
L
Y
T
V
T---M
S
W
K
V
R
V
-----------
E
L
A
S
C
C
Y
F
C
G
T
V
C
S
L
I
H
L
C
L
A
L
RI---------------P
F
Y
R
S
N
V
I
N
H
F
FC----DL
P
P
V
L
S
LAC-------S-------DIT--V
N
E
T
L
-----
L
F
L
V
A
TLNE
S
V
T
I
M
I
I
----
L
T
S
---
Y
L
L
I
L
------
T
T
I
L
KMG-S------------------------------------------------------------------------------------------------------------------------------------------------------------------A-------------------------------------------------------------------------------------------------------------------------------------------------------------------E
G
----
R
--------
H
K
A
F
S
T
C
A
S
H
L
T
A
I
T
V
FHG
T
V
L
S
I
Y
C
RPSS---G------------N------------S-------GD----------
A
D
K
V
A
T
V
F
Y
T
V
V
-
I
P
M
L
N
S
-----------
V
I
Y
S
L
R
N
K
D
V
K
E
A
L
R
K
V
MGSKIHS--------------------------------------------------------------------------------------------------------------------------
23
HHSearch
90.94
18%
-160
- C1 -
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
TGTWDAYKF-
C
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
K
----
E
--------
H
K
A
L
K
T
L
G
I
I
M
G
T
F
T
L
C
W
L
P
F
F
I
V
N
I
V
H
V
I
---
Q
DN----------
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
------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
89.59
16%
-168
- C1 -
3EML
13
ENLYS_BPT4
A:
[21-469]
-------------------------------------
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
-------
S
Q
G
C
----
G
E
G
Q
V
---
A
C
-------
L
-------
F
E
D
VV
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
PDCS--------
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
--------------------------------------------------------------------------------------------------------------------------
39
Fugue
86.12
14%
-146
- C1 -
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
V
R
SPFEAPQYYLAE
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
QGSDFGP---
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
STTVSKTETS
Q
V
A
P
A-----------------------------------------------------------------------------------------------------------
24
HHSearch
85.13
15%
-157
- C1 -
3RZE
5
ENLYS_BPT4 (first)
A:
[10-443]
-------------------------------------------------------
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
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
TGTWDAYLH-
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
R
----
E
--------
R
K
A
A
K
Q
L
G
F
I
M
A
A
F
I
L
C
W
I
P
Y
F
I
F
F
M
V
I
A
F
---
C
------------
K
NC----------
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
------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
83.27
15%
-151
- C1 -
3ODU
6
CXCR4_HUMAN (first)
A:
[46-496]
-----------------------------------
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
--------------------------------------------------------------------------------------------------------------------------
30
HHSearch
83.06
15%
-159
- C1 -
2Z73
5
OPSD_TODPA
A:
[32-332]
-----------------------------------
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
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
--------------------------------------------------------------------------------------------------------------------------
21
HHSearch
82.22
15%
-158
- C1 -
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
TGTWDAYPP-
P
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
R
----
E
--------
K
K
V
T
R
T
I
L
A
I
L
L
A
F
I
I
T
W
A
P
Y
N
V
M
V
L
I
N
T
F
---
C
AP----------
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
-------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
80.90
15%
-162
- C1 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
--------------------------------------------------------
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
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
GTWDAYGVP
L
R
----
E
--------
K
K
A
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
W
L
P
F
F
L
T
H
V
L
N
T
H
---
C
QTC---------
H
------------
V
-------
S
P
----------
E
L
Y
S
A
T
T
W
L
G
Y
V
-
N
S
A
L
N
P
-----------
V
I
Y
T
T
F
N
I
E
F
R
K
A
F
L
K
I
L
S
C
------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
80.56
22%
-170
- C1 -
2YCW
7
ADRB1_MELGA
A:
[16-231]
----------------------------------------------------------
L
L
M
A
------
L
V
V
L
L
I
V
A
G
N
V
L
V
I
A
A
I
---------
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
--------
E
L
W
T
S
---------------------
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
----
S
P
F
R
Y
Q
S
L
---
M
T
-
R
A
R
A
-----------
K
V
I
I
C
T
V
W
--
A
I
S
A
L
V
S
F
-
L
P
I
M
M
---------------
H
W
W
R
D
E
D
P
Q
A
L
K
C
----
Y
Q
D
P
----
G
C
-------
C
-------
D
F
V
--
T
N
R
A
Y
-----
A
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
---
Y
R
E
A
K
------
E
Q
I
R
K
I
D
-
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
----
R
KR
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
N
V
F
---
N
------------
R
------------
D
-------
L
V
----------
P
D
W
L
F
V
A
F
N
W
L
G
-
Y
A
N
S
A
M
-----------
N
P
I
I
Y
C
R
S
P
D
F
R
K
A
F
K
R
L
L
A
F
-----------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
80.37
22%
-169
- C1 -
2YCZ
2
ADRB1_MELGA
A:
[16-231]
----------------------------------------------------------
L
L
M
A
------
L
V
V
L
L
I
V
A
G
N
V
L
V
I
A
A
I
---------
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
--------
E
L
W
T
S
---------------------
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
----
S
P
F
R
Y
Q
S
L
---
M
T
-
R
A
R
A
-----------
K
V
I
I
C
T
V
W
--
A
I
S
A
L
V
S
F
-
L
P
I
M
M
---------------
H
W
W
R
D
E
D
P
Q
A
L
K
C
----
Y
Q
D
P
----
G
C
-------
C
-------
D
F
V
--
T
N
R
A
Y
-----
A
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
---
Y
R
E
A
K
------
E
Q
I
R
K
I
D
-
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
----
R
K
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
N
V
F
---
N
------------
R
------------
D
-------
L
V
----------
P
D
W
L
F
V
A
F
N
W
L
G
-
Y
A
N
S
A
M
-----------
N
P
I
I
Y
C
R
S
P
D
F
R
K
A
F
K
R
L
L
A
F
-----------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
79.73
22%
-162
- C1 -
2YCX
3
ADRB1_MELGA
A:
[16-231]
----------------------------------------------------------
L
L
M
A
------
L
V
V
L
L
I
V
A
G
N
V
L
V
I
A
A
I
---------
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
--------
E
L
W
T
S
---------------------
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
----
S
P
F
R
Y
Q
S
L
---
M
T
-
R
A
R
A
-----------
K
V
I
I
C
T
V
W
--
A
I
S
A
L
V
S
F
-
L
P
I
M
M
---------------
H
W
W
R
D
E
D
P
Q
A
L
K
C
----
Y
Q
D
P
----
G
C
-------
C
-------
D
F
V
--
T
N
R
A
Y
-----
A
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
---
Y
R
E
A
K
------
E
Q
I
R
K
I
D
-
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
----
R
K
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
N
V
F
---
N
------------
R
------------
D
-------
L
V
----------
P
D
W
L
F
V
A
F
N
W
L
G
-
Y
A
N
S
A
M
-----------
N
P
I
I
Y
C
R
S
P
D
F
R
K
A
F
K
----------------------------------------------------------------------------------------------------------------------------------
40
Fugue
78.35
15%
-127
- C1 -
1U19
15
OPSD_BOVIN
A:
[4-349]
MN
G
T
E
G
PNFYVPFS
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
G
M
Q
C
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
ESA
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
QGSDF
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
LGDDEA
S
T
T
V
S
K
TETSQVAPA-----------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
77.93
22%
-174
- C1 -
2Y03
9
ADRB1_MELGA
A:
[16-233]
----------------------------------------------------------
L
L
M
A
------
L
V
V
L
L
I
V
A
G
N
V
L
V
I
A
A
I
---------
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
--------
E
L
W
T
S
---------------------
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
----
S
P
F
R
Y
Q
S
L
---
M
T
-
R
A
R
A
-----------
K
V
I
I
C
T
V
W
--
A
I
S
A
L
V
S
F
-
L
P
I
M
M
---------------
H
W
W
R
D
E
D
P
Q
A
L
K
C
----
Y
Q
D
P
----
G
C
-------
C
-------
D
F
V
--
T
N
R
A
Y
-----
A
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
---
Y
R
E
A
K
------
E
Q
I
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------S
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
N
V
F
---
N
------------
R
------------
D
-------
L
V
----------
P
D
W
L
F
V
A
F
N
W
L
G
-
Y
A
N
S
A
M
-----------
N
P
I
I
Y
C
R
S
P
D
F
R
K
A
F
K
R
L
L
A
------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
77.42
22%
-171
- C1 -
2YCY
6
ADRB1_MELGA
A:
[16-231]
----------------------------------------------------------
L
L
M
A
------
L
V
V
L
L
I
V
A
G
N
V
L
V
I
A
A
I
---------
G
S
T
Q
R
L
Q
T
L
T
N
L
F
I
T
S
L
A
C
A
D
L
V
V
G
L
L
V
-
V
P
F
G
A
T
L
V
V
-
R
G
T
W
L
W
G
S
F
L
C
--------
E
L
W
T
S
---------------------
L
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
I
D
R
Y
L
A
I
T
----
S
P
F
R
Y
Q
S
L
---
M
T
-
R
A
R
A
-----------
K
V
I
I
C
T
V
W
--
A
I
S
A
L
V
S
F
-
L
P
I
M
M
---------------
H
W
W
R
D
E
D
P
Q
A
L
K
C
----
Y
Q
D
P
----
G
C
-------
C
-------
D
F
V
--
T
N
R
A
Y
-----
A
I
A
S
S
I
I
S
F
Y
I
P
L
L
I
M
I
F
V
A
L
R
V
---
Y
R
E
A
K
------
E
Q
I
R
--
D
-
R
------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
----
R
K
R
V
M
L
M
R
E
H
K
A
L
K
T
L
G
I
I
M
G
V
F
T
L
C
W
L
P
F
F
L
V
N
I
V
N
V
F
---
N
------------
R
------------
D
-------
L
V
----------
P
D
W
L
F
V
A
F
N
W
L
G
-
Y
A
N
S
A
M
-----------
N
P
I
I
Y
C
R
S
P
D
F
R
K
A
F
K
R
L
L
A
F
-----------------------------------------------------------------------------------------------------------------------------
48
Fugue
77.41
14%
-139
- C1 -
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
PN
D
L
W
V
V
V
F
Q
F
Q
H
I
M
V
GL--
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
T
EG
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
NAKLK
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
-
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
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
43
Fugue
76.32
16%
-145
- C1 -
1YT3
11
RND_ECOLI
A:
[1-375]
--------------
M
N
Y
Q
M
I
T
T
D
D
A
L
A
S
L
C
E
A
V
R
A
F
P
A
----------------
I
A
L
D
T
E
F
V
R
T
RTYY
P
Q
L
G
L
I
Q
L
F
D
G
E
H
L
A
L
I
D
PLGITDW
S
P
L
K
A
I
L
R
D
P
S
I
T
K
F
L
H
A
G
S
E
D
L
E
V
F
L
N
V
-
F
G
E
L
P
Q
P
L
I
-
D
T
Q
I
L
A
A
F
C
G
R
PMSWG
F
A
S
M
V
E
E
Y
SG
V
T
L
D
KSESRTDWLARPLT
E
R
Q
C
E
Y
A
A
A
D
V
W
Y
L
L
P
I
T
A
K
L
M
V
E
T
E
A
S
GW
L
P
A
A
L
D
E
C
---
R
L
M
Q
M
R
R
Q
E
V
V
A
PEDAWR
D
I
T
N
A
W
Q
L
R
T
R
Q
L
A
C
L
Q
L
L
A
D
W
R
L
---------------
R
K
A
R
E
R
D
L
A
V
N
F
V
VR
E
E
H
L
W
S
V
A
R
Y
M
P
-------
G
-------
S
L
G
--
E
L
D
S
L
-----
G
L
S
G
S
E
I
R
F
H
G
K
T
L
L
A
----
L
V
E
---
K
A
Q
T
L
PEDALP
Q
P
M
L
N
L
M
-
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
G
----
Y
--------
R
K
A
F
K
A
I
K
S
L
I
T
D
V
S
E
T
H
K
I
S
A
E
L
L
A
--------------------
S
------------
R
-------
R
Q
----------
I
N
Q
L
L
N
W
H
W
K
L
K
P
Q
N
N
L
P
E
-----------
L
I
S
G
W
R
G
E
L
M
A
E
A
L
H
N
L
L
Q
E
Y
P
Q
---------------------------------------------------------------------------------------------------------------------------
28
HHSearch
75.87
14%
-124
* C1 *
1U19
14
OPSD_BOVIN
A:
[38-327]
-----------------------------------
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
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
QQQESA
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
QG
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
--------------------------------------------------------------------------------------------------------------------------
29
HHSearch
75.32
15%
-151
- C1 -
3V2Y
1
ENLYS_BPT4
A:
[61-495]
-----------------------------------
N
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
VKTC--------
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
----------------------------------------------------------------------------------------------------------------------------
33
HHSearch
74.36
16%
-126
- C1 -
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
TQVIQE
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
----------------------------------------------------------------------------------------------------------------------------
32
HHSearch
74.29
12%
-159
- C1 -
2KS9
1
NK1R_HUMAN
A:
[34-324]
-------------------------------------------------------
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
PGDSSDRYH
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
LYLKKF-
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
--------------------------------------------------------------------------------------------------------------------------