@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 : O56B1_HUMAN: (2016-01-12 )
MNHMSASLKISNSSKFQVSEFILLGFPGIHSWQHWLSLPLALLYLSALAANTLILIIIWQNPSLQQPMYIFLGILCMVDMGLATTIIPKILAIFWFDAKVISLPECFAQIYAIHFFVGMESGILLCMAFDRYVAICHPLRYPSIVTSSLILKATLFMVLRNGLFVTPVPVLAAQRDYCSKNEIEHCLCSNLGVTSLACDDRRPNSICQLVLAWLGMGSDLSLIILSYILILYSVLRLNSAEAAAKALSTCSSHLTLILFFYTIVVVISVTHLTEMKATLIPVLLNVLHNIIPPSLNPTVYALQTKELRAAFQKVLFALTKEIRS
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)
-----------------------------------------------------------------------------------------------------------------------------MN-HM
S
A
S
L
K
ISNSS
K
-------
F
Q
--
V
S
E
F
I
-------------
L
LGFP
G
I
H
-
S
W
Q
H
W
L
S
L
P
------
L
A
L
L
Y
L
S
A
LAAN
T
L
I
---
L
I
I
I
WQN--PSLQ
Q
P
M
Y
I
F
L
G
I
L
C
M
V
DM
G
L
A
T
T
I
-
I
P
K
I
L
A
---
I
F
W-FD-----
A
K
-
V
I
S
---------
L
P
E
C
F
A
Q
I
Y
-
A
I
H
---
F
F
VGMES
G
I
--
L
L
C
M
A
F
D
R
Y
V
A
I
CHPL---RY
P
S
I
---
V
T
S
S
L
I
L
K
A
T
L
F
M
V
L
RNG
L
F
VTP
V
P
V
L
-
A
A
Q
R
DYC
S
K
N
E
I
E
H
C
L
CSNLGV
T
S
LACDDRR--
P
N
S
I
C
Q
L
V
L
A
W
LGMGS
D
L
S
L
I
I
L
S
Y
I
L
I
L
Y
S
V
L
RLN
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
----
A
A
A
K
A
L
S
T
C
S
S
H
L
T
L
I
-
L
F
F
Y
T
I
V
V
V
I
S
V
T
H
L
T
E
M
-----------
K
-----------
A
------
T
------
L
I
P
V
L
L
--
N
V
L
H
N
IIPPS--------LNP
T
V
Y
A
L
Q
T
K
---------
E
L
R
A
A
F
Q
K
---
V
L
F
A
L
T
K
E
IRS------------------------------
30
HHSearch
88.27
18%
-165
- C4 -
3EML
13
ENLYS_BPT4
A:
[21-471]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
P
-----------
D
CSH--------
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
--------------------------------
26
HHSearch
87.87
18%
-153
- C4 -
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
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
85.08
16%
-149
* C4 *
2Z73
5
OPSD_TODPA
A:
[29-334]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
P
D
-
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
EW---------
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
------------------------------
27
HHSearch
84.63
15%
-161
- C4 -
3RZE
5
ENLYS_BPT4 (first)
A:
[9-443]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
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
-----------
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
80.10
15%
-127
- C4 -
1F88
8
OPSD_BOVIN
A:
[1-348]
-----------------------------------------------------------------------------------------------------------------------------
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
TGVVRSP
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
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
QGSDFG
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------------------
24
HHSearch
77.88
17%
-155
- C4 -
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
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
--------------------------------------
32
HHSearch
77.61
15%
-148
- C4 -
3V2Y
1
ENLYS_BPT4
A:
[59-495]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
E
-
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
-----------
V
KTC--------
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
-----------------------------------
34
HHSearch
75.42
15%
-155
- C4 -
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
Q
-----------
T
CH---------
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
-------------------------------------
44
Fugue
74.90
19%
-164
- C3 -
3THI
1
THI1_PANTH
A:
[1-362]
----------------------------------------------------------------------------------------------------------------------------I
T
L
-
K
V
A
I
Y
P
Y
V
P
D
P
A
R
-------
F
Q
A
A
V
L
D
Q
W
-------------
Q
R
Q
E
P
G
V
K
L
E
F
T
D
W
D
S
Y
S
ADPPDD
L
D
V
F
V
L
D
S
I
F
L
S
H
F
V
D
A
G
Y
L
L
P
F
G
S
--
Q
D
I
D
Q
A
E
D
V
L
P
F
A
L
Q
G
A
K
R
N
G
E
V
Y
G
-
L
P
Q
I
L
C
T
N
L
L
F
Y
-
R
K
GD
L
K
I
G
Q
-
V
D
N
---------
I
Y
E
L
Y
K
K
I
G
-
T
S
H
SEQ
I
P
P
P
Q
N
K
G
L
--
L
I
N
M
A
----------------
G
G
T
---
T
K
A
S
M
Y
L
E
A
L
I
D
V
T
G
Q
Y
T
E
Y
-
D
L
L
P
P
L
-
D
P
L
N
D
K
V
I
R
G
L
R
L
L
I
N
M
A
G
E
K
P
S
Q
Y
V
P
E
D
G
D
--
A
Y
----
V
R
A
S
W
F
A
Q
G
S
G
R
A
F
I
G
Y
S
E
-----
S
M
M
R
M
G
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
----
E
Q
V
R
F
K
P
I
S
S
S
A
G
Q
D
I
P
L
F
Y
S
D
V
V
S
V
N
S
K
T
A
H
P
E
L
-----------
A
-----------
K
------
K
------
L
A
N
V
M
A
S
A
D
T
V
E
Q
A
L
R
P
Q
ADGQYPQY
L
L
P
A
R
H
Q
V
Y
E
A
L
MQDYP
I
Y
S
E
L
A
Q
I
V
N
K
PSN
R
V
F
R
L
G
P
E
V
R
T
W
L
K
D
A
K
Q
V
LPEALG----------------
43
Fugue
74.11
15%
-98
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
----------------------------------------------------------------------------------------------------------------------MN
G
T
E
G
P
N
F
-
Y
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
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
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
L
G
D
DEA
S
T
T
V
S
K
TETSQVAPA------------
31
HHSearch
73.81
16%
-114
- C4 -
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
Q
-----------
G
SD---------
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
------------------------------
33
HHSearch
71.85
13%
-145
- C4 -
2KS9
1
NK1R_HUMAN
A:
[31-324]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
I
V
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
-----------
L
YLKKF-
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
------------------------------
35
HHSearch
71.30
16%
-132
- C4 -
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
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
-----------------------------------
23
HHSearch
66.00
14%
-140
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[43-499]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
A
N
-
F
N
K
I
F
L
P
T
I
------
Y
S
I
I
F
L
T
G
I
V
G
N
G
L
V
---
I
L
V
M
G
Y
Q
--
K
K
L
R
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
-
I
T
-
L
P
F
W
A
V
---
D
A
V
--
A
-----
N
W
-
Y
F
G
---------
N
F
L
C
K
A
V
H
V
-
I
Y
T
---
V
N
L
Y
S
S
V
W
I
--
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
---
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
F
-
A
N
V
S
E
-----
A
D
D
R
Y
I
C
D
R
F
Y
P
------
N
D
L
--
W
V
V
V
F
Q
F
Q
H
I
M
V
G
L
I
L
P
G
I
V
I
L
S
C
Y
C
I
I
I
S
K
L
S
H
S
G
S
------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
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
------------------------------
47
Fugue
63.48
16%
-159
- C2 -
4K70
22
?
A:
[2-483]
PG
S
M
E
A
L
V
R
A
L
E
EADHAV
A
T
V
V
Q
S
R
I
L
E
F
F
M
AA
G
R
E
T
P
A
G
V
R
G
L
W
A
R
A
L
R
L
A
C
R
A
Y
V
E
TGT
C
E
A
A
V
L
A
E
N
L
A
G
L
A
L
W
RLRHDWDEGT
A
P
L
L
E
L
L
G
V
V
N
G
D
D
T
T
A
A
L
T
E
A
GLRTSAEFG
P
D
A
M
F
R
L
V
S
-
E
W
C
A
A
F
D
E
A
L
A
G
A
-------
R
S
--
A
D
D
V
L
A
A
P
R
V
V
P
PEQTAR
A
L
V
Q
P
R
F
A
-
T
L
Y
D
M
D
F
V
Q
------
D
G
L
R
Y
V
A
Q
H
T
N
W
A
L
P
---
L
A
L
A
V
R
Q
M
Q
N
E
G
L
K
P
L
T
R
A
L
F
A
L
T
I
A
D
E
F
F
H
D
R
Q
-
N
P
T
L
R
E
---
Q
F
A
-
E
A
-----
A
R
-
A
V
D
----------
E
A
A
L
V
P
V
G
-
E
V
N
---
A
T
P
R
T
A
V
E
V
--
R
V
S
A
A
L
A
H
G
D
A
Y
V
R
E
L
---
R
-
P
G
T
---
V
A
R
R
L
R
T
D
Q
G
V
L
A
L
L
D
P
G
A
Q
A
V
H
V
A
A
A
-
A
---------
D
L
D
H
T
---
Q
V
D
A
T
G
V
W
E
A
V
Q
A
--
S
A
S
P
L
Q
V
V
E
A
L
V
T
A
G
F
T
R
R
H
C
D
L
L
E
R
A
V
L
D
R
A
P
R
L
T
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
----
R
A
V
G
C
T
A
V
V
G
G
V
V
H
R
L
-
L
D
D
Y
G
P
G
L
D
Y
-
V
R
A
Y
T
D
V
-----------
A
-----------
D
------
T
------
L
E
P
L
Y
G
--
D
V
T
A
A
L
G
L
P
E
K
G
V
-----
E
H
V
V
R
H
C
M
A
P
R
---------
P
P
T
E
H
V
G
A
---
A
R
A
A
L
L
R
E
V
A
A
A
E
R
R
A
GLAHS
A
A
R
E
A
L
N
T
W
L
A
F
R
A
Q
S
R
WGL
4
PsiBlast_PDB
61.41
25%
-182
- C4 -
4NC3
9
C562_ECOLX
A:
[30-180]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
W
A
A
L
L
------
I
L
M
V
I
I
P
T
I
G
G
N
T
L
V
---
I
L
A
V
S
L
E
--
K
K
L
Q
Y
A
T
N
Y
F
L
M
S
L
A
V
A
D
L
L
V
G
L
F
V
-
M
P
I
A
L
L
---
T
I
M
-
F
E
-----
A
M
W
P
L
P
---------
L
V
L
C
P
A
W
L
F
-
L
D
V
---
L
F
S
T
A
S
I
W
H
--
L
C
A
I
S
V
D
R
Y
I
A
I
K
K
P
I
QAN
Q
Y
N
S
R
---
A
T
A
--
F
I
K
I
T
V
V
W
L
I
S
I
G
I
A
I
-
P
V
P
I
K
-
G
I
E
T
-
V
D
N
P
N
N
I
T
C
V
L
T
K
E
R
F
G
D
F
M
L
F
G
S
L
A
--
A
F
F
T
P
L
A
I
M
I
V
T
Y
F
L
T
I
H
A
L
Q
K
K
A
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
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
Q
T
I
S
---
N
E
Q
R
A
S
K
V
L
G
I
------------------------------
7
PsiBlast_PDB
55.16
25%
-165
- C4 -
2Y01
4
ADRB1_MELGA
A:
[8-126]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-
Q
W
E
A
G
M
S
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
GTWLWG
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
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
-----------------------------------------------
16
PsiBlast_PDB
54.96
25%
-172
- C4 -
2YCW
3
ADRB1_MELGA
A:
[8-126]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-
Q
W
E
A
G
M
S
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
RGTWLWG
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
---------------------------------
14
PsiBlast_PDB
54.83
25%
-164
- C4 -
3ZPR
5
ADRB1_MELGA
A:
[8-126]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
-
Q
W
E
A
G
M
S
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
RGTWLWG
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
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
---------------------------------------------------
1
PsiBlast_PDB
54.56
29%
-173
- C4 -
3EML
8
ENLYS_BPT4
A:
[18-134]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
S
Q
G
C
G
E
G
Q
V
A
C
L
F
E
D
V
V
P
M
N
Y
M
V
Y
F
--
N
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
N
I
F
E
M
L
R
I
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
----
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
-
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
S
E
L
-----------
D
-----------
K
------
A
------
I
G
R
N
T
N
--
G
V
I
T
K
D
E
A
E
K
--------
L
F
N
Q
D
V
D
A
A
V
R
---------
G
I
L
R
N
A
K
L
---
K
P
V
Y
D
S
L
D
A
V
R
------------------------------