@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 : MCHR2_HUMAN: (2016-01-11 )
MNPFHASCWNTSAELLNKSWNKEFAYQTASVVDTVILPSMIGIICSTGLVGNILIVFTIIRSRKKTVPDIYICNLAVADLVHIVGMPFLIHQWARGGEWVFGGPLCTIITSLDTCNQFACSAIMTVMSVDRYFALVQPFRLTRWRTRYKTIRINLGLWAASFILALPVWVYSKVIKFKDGVESCAFDLTSPDDVLWYTLYLTITTFFFPLPLILVCYILILCYTWEMYQQNKDARCCNPSVPKQRVMKLTKMVLVLVVVFILSAAPYHVIQLVNLQMEQPTLAFYVGYYLSICLSYASSSINPFLYILLSGNFQKRLPQIQRRATEKEINNMGNTLKSHF
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.......330.......340
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MNPFHASCWN
T
S
A
E
L
L
N
K
SW
N
K
E
F
A
Y
Q
T
A
S
V
V
D
T
V
I
L
P
S
M
I
G
I
I
CSTGLV
G
N
I
L
I
V
F
T
I
I
R
-
S
R-K-K-TVP
D
I
Y
I
C
N
L
A
V
A
D
L
V
-
H
I
VG--
M
P
F
L
I
H
Q
WARGG
E
W
V
FGG
P
L
C
T
I
I
T
S
L
D
T
C
N
Q
F
A
C
S
A
I
M
T
V
M
S
V
D
R
Y
F
A
L
V
Q
P
F
R
L
T
R
W
---
R
T
R
Y
K
T
I
R
I
N
L
G
L
W
A
A
S
F
I
L
A
-
L
P
V
W
V
Y
------
S
K
V
I
K
F
--KD
G
V
E
--
S
C
AFDLT--SP--D-
D
V
L
W
---
Y
-----
T
L
Y
---
L
T
I
T
T
F
F
F
P
L
P
L
I
L
V
C
Y
I
L
I
---
L
C
Y
T
W
E
M
Y
-----------Q-----------------------QNKDA-R-------------------------------C------------------------------------------------------------------------------------------------------------------------------------------C------------------------------------------------------------------------------------------------------------------------------------------------------N-----------------P----------------SV
P
K
Q
R
-
V
M
--------
K
L
T
K
--------
M
V
L
V
L
V
V
V
F
I
LSAA
P
Y
H
V
I
----
Q
L
V
N
LQ----MEQ--------P---------
T
L
-
A
F
----
Y
-
V
G
Y
Y
L
S
I
C
--
L
S
Y
A
SSSIN
P
F
L
Y
I
L
LSG
N
F
Q
---
K
R
L
P
Q
I
Q
R
R
A
T
E
K
E
I
N
N
M
G
N
T
L
K
SHF
2
PsiBlast_PDB
91.08
29%
-142
- C2 -
4RWD
7
C562_ECOLX (first)
A:
[113-406]
------------------------
A
R
S
A
S
S
L
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
-
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
-
A
T
S
T
--
L
P
F
Q
S
A
K
Y
L
M
E
-
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
M
------
A
-
V
T
R
P
--
R
D
G
A
V
--
V
C
M
L
Q
F
P
--
S
P
--
S
----
W
---
Y
W
D
T
--
V
T
K
---
I
C
V
F
L
F
A
F
V
V
P
I
L
----
I
I
T
---
V
C
Y
G
L
M
L
L
-----------
R
-----------------------
L
R
S
V
R
-
L
-------------------------------
L
------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------
G
-----------------
S
----------------
K
E
K
D
R
S
-
L
R
--------
R
I
T
R
--------
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
T
L
V
D
I
D
----
R
R
D
--------
P
---------
L
V
-
V
-------
A
A
L
H
L
C
I
A
--
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
---
R
C
F
R
Q
L
C
-------------------
1
PsiBlast_PDB
90.57
29%
-144
- C2 -
4RWA
2
C562_ECOLX (first)
A:
[113-406]
------------------------
A
R
S
A
S
S
L
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
-
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
-
A
T
S
T
--
L
P
F
Q
S
A
K
Y
L
M
E
-
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
M
------
A
-
V
T
R
P
--
R
D
G
A
V
--
V
C
M
L
Q
F
P
--
S
P
--
S
----
W
---
Y
W
D
T
--
V
T
K
---
I
C
V
F
L
F
A
F
V
V
P
I
L
----
I
I
T
---
V
C
Y
G
L
M
L
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
-----------------
S
----------------
K
E
K
D
R
S
-
L
R
--------
R
I
T
R
--------
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
T
L
V
D
I
D
----
R
R
D
--------
P
---------
L
V
-
V
-------
A
A
L
H
L
C
I
A
--
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
---
R
C
F
R
Q
L
C
-------------------
25
HHSearch
90.43
25%
-126
- 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
VR
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
TGTW------------------------------------------------------------------------------------------------------------------------------------------
D
-----------------
A
----------------
Y
P
P
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
------------------
4
PsiBlast_PDB
89.81
32%
-147
- C2 -
5C1M
7
?
A:
[11-294]
---------------------------
S
P
S
M
V
T
A
I
T
I
M
A
L
Y
S
I
V
C
V
V
G
L
F
G
N
F
L
V
M
Y
V
I
V
R
Y
T
K
-
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
-
A
T
S
T
--
L
P
F
Q
S
V
N
Y
L
M
G
-
T
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
R
N
A
K
I
V
N
V
C
N
W
I
L
S
S
A
I
G
-
L
P
V
-
M
F
------
M
A
T
T
K
Y
--
R
Q
G
S
I
--
D
C
T
L
T
F
S
--
H
P
--
T
----
W
---
Y
W
E
N
L
L
K
I
C
---
V
F
I
F
A
F
I
M
P
V
L
I
I
T
V
C
Y
G
L
----------
M
I
-----------
L
-----------------------
R
L
K
S
V
-
R
-------------------------------
M
------------------------------------------------------------------------------------------------------------------------------------------
L
------------------------------------------------------------------------------------------------------------------------------------------------------
S
-----------------
G
----------------
S
K
E
K
D
R
N
L
R
--------
R
I
T
R
--------
M
V
L
V
V
V
A
V
F
I
V
C
W
T
P
I
H
I
Y
----
V
I
I
K
A
L
----
I
T
I
--------
P
---------
E
T
-
T
F
----
Q
T
V
S
W
H
F
C
I
A
--
L
G
Y
T
N
S
C
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
---
R
C
F
-----------------------
43
Fugue
89.79
26%
-137
- C2 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
----
S
F
K
C
A
L
T
K
T
G
F
-----------------
Q
F
Y
Y
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
-
H
M
-
K
-
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
-
Y
V
L
T
--
L
P
A
L
I
F
Y
Y
F
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
K
S
L
G
R
L
---
K
K
K
-
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
-
S
P
I
L
F
Y
------
S
G
T
G
V
R
--
K
N
K
T
I
--
T
C
Y
D
T
T
S
--
D
E
Y
L
R
-
S
Y
F
I
---
Y
-----
S
M
C
---
T
T
V
A
M
F
C
V
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
I
Y
K
M
K
K
Y
-----------
T
C
TVCG
Y
I
Y
N
PEDGDPDNGVNPGT
D
F
K
D
I
-
V
-------------------------------
C
------------------------------------------------------------------------------------------------------------------------------------------
P
------------------------------------------------------------------------------------------------------------------------------------------------------
L
-----------------
C
----------------
G
V
G
K
D
Q
-
F
E
E
V
EE
P
L
R
R
K
S
I
Y
--------
L
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
----
K
T
M
N
L
R
----
A
R
L
--------
D
FQTPAM
C
A
F
N
D
-
R
V
----
Y
-
A
T
Y
Q
V
T
R
G
--
L
A
S
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
D
T
F
R
---
R
R
------------------------
3
PsiBlast_PDB
89.67
29%
-140
- C2 -
4N6H
23
C562_ECOLX (first)
A:
[116-411]
------------------------
A
R
S
A
S
S
L
A
L
A
I
A
I
T
A
L
Y
S
A
V
C
A
V
G
L
L
G
N
V
L
V
M
F
G
I
V
R
Y
T
K
-
M
-
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
A
L
-
A
T
S
T
--
L
P
F
Q
S
A
K
Y
L
M
E
-
T
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
-
V
P
I
M
V
M
------
A
-
V
T
R
P
--
R
D
G
A
V
--
V
C
M
L
Q
F
P
--
S
P
--
S
----
W
---
Y
W
D
T
--
V
T
K
---
I
C
V
F
L
F
A
F
V
V
P
I
L
----
I
I
T
---
V
C
Y
G
L
M
L
L
-----------
R
-----------------------
L
R
S
V
R
-
L
-------------------------------
L
------------------------------------------------------------------------------------------------------------------------------------------
S
------------------------------------------------------------------------------------------------------------------------------------------------------
G
-----------------
S
----------------
K
E
K
D
R
S
-
L
R
--------
R
I
T
R
--------
M
V
L
V
V
V
G
A
F
V
V
C
W
A
P
I
H
I
F
V
I
V
W
T
L
V
D
I
D
----
R
R
D
--------
P
---------
L
V
-
V
-------
A
A
L
H
L
C
I
A
--
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
F
L
D
E
N
F
K
---
R
C
F
R
Q
L
C
R
K
P
C
G
--------------
10
PsiBlast_PDB
88.29
24%
-143
- C2 -
4XNW
2
RUBR_CLOPA
A:
[53-382]
------------------------------------
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
-
H
M
-
K
-
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
-
Y
V
L
T
--
L
P
A
L
I
F
Y
Y
F
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
L
K
S
L
G
R
---
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
-
S
P
I
L
F
Y
------
S
G
T
G
V
R
--
K
N
K
T
I
--
T
C
-
Y
D
T
T
--
S
D
--
E
-
Y
L
R
S
---
Y
-----
F
I
Y
S
M
C
T
T
V
A
M
F
C
V
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
I
Y
K
M
K
K
Y
T
C
TVCG
Y
I
Y
N
P
E
-----------------------
D
G
D
P
D
-
N
-------------------------------
G
------------------------------------------------------------------------------------------------------------------------------------------
V
------------------------------------------------------------------------------------------------------------------------------------------------------
N
-----------------
P
GTDFKDIPDDWVCPLC
G
V
G
K
D
Q
-
F
E
--------
E
V
E
E
P
L
R
R
K
S
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
----
K
T
M
N
L
R
A
R
L
D
F
Q
T
--------
P
---------
A
M
C
A
F
N
D
R
V
Y
-
A
T
Y
Q
V
T
R
G
--
L
A
S
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
D
T
F
R
---
R
R
------------------------
33
HHSearch
88.17
20%
-130
* C2 *
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
GTW------------------------------------------------------------------------------------------------------------------------------------------
D
-----------------
A
----------------
Y
G
V
P
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
--------
C
---------
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
-----------------
26
HHSearch
88.16
22%
-128
- 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
CC
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
TGTWD
A
----------------
Y
K
F
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
-----------------
9
PsiBlast_PDB
87.41
24%
-141
- C2 -
4XNV
15
P2RY1_HUMAN (first)
A:
[53-382]
------------------------------------
L
P
A
V
Y
I
L
V
F
I
I
G
F
L
G
N
S
V
A
I
W
M
F
V
F
-
H
M
-
K
-
P
W
S
G
I
S
V
Y
M
F
N
L
A
L
A
D
F
L
-
Y
V
L
T
--
L
P
A
L
I
F
Y
Y
F
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
-
K
S
L
G
R
---
L
K
K
K
N
A
I
C
I
S
V
L
V
W
L
I
V
V
V
A
I
-
S
P
I
L
F
Y
------
S
G
T
G
V
R
--
K
N
K
T
I
--
T
C
-
Y
D
T
T
--
S
D
--
E
-
Y
L
R
S
---
Y
-----
F
I
Y
S
M
C
T
T
V
A
M
F
C
V
P
L
V
L
I
L
G
C
Y
G
L
I
V
R
A
L
I
Y
K
M
K
K
Y
T
C
TVCG
Y
I
Y
N
P
E
-----------------------
D
G
D
P
D
-
N
-------------------------------
G
------------------------------------------------------------------------------------------------------------------------------------------
V
------------------------------------------------------------------------------------------------------------------------------------------------------
N
-----------------
P
GTDFKDIVCPLC----
G
V
G
K
D
Q
-
F
E
--------
E
V
E
E
P
L
R
R
K
S
I
Y
L
V
I
I
V
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
----
K
T
M
N
L
R
A
R
L
D
F
Q
T
--------
P
---------
A
M
C
A
F
N
D
R
V
Y
-
A
T
Y
Q
V
T
R
G
--
L
A
S
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
D
T
F
R
---
R
R
------------------------
5
PsiBlast_PDB
86.88
32%
-148
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[135-401]
-------------------------------------------
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
-
H
T
-
K
M
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
L
-
V
L
L
T
--
L
P
F
Q
G
T
D
I
L
L
G
F
-
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
-
V
P
V
A
I
M
------
G
S
A
-
Q
V
--
E
D
E
E
I
--
E
C
L
V
E
I
P
--
T
P
--
Q
-
D
-
Y
W
G
P
V
F
-----
A
I
C
---
I
F
L
F
S
F
I
V
P
V
L
V
I
S
V
C
Y
S
L
----------
M
I
-----------
R
-----------------------
R
L
R
G
V
-
R
-------------------------------
L
------------------------------------------------------------------------------------------------------------------------------------------
L
------------------------------------------------------------------------------------------------------------------------------------------------------
S
-----------------
G
----------------
S
R
E
K
D
R
N
L
R
--------
R
I
T
R
--------
L
V
L
V
V
V
A
V
F
V
G
C
W
T
P
V
Q
V
F
----
V
L
A
Q
G
L
----
G
V
Q
--------
P
---------
S
S
-
E
T
----
A
-
V
A
-
I
L
R
F
C
T
A
L
G
Y
V
N
S
C
L
N
P
I
L
Y
A
F
L
D
E
N
F
K
---
A
C
F
R
----------------------
27
HHSearch
86.53
25%
-126
- 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
TGTWD
A
----------------
Y
L
H
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
-----------------
21
PsiBlast_CBE
86.25
32%
-151
- C2 -
4EA3
3
OPRX_HUMAN
B:
[135-401]
-------------------------------------------
V
C
V
G
G
L
L
G
N
C
L
V
M
Y
V
I
L
R
-
H
T
-
K
M
K
-
T
A
T
N
I
Y
I
F
N
L
A
L
A
D
T
L
-
V
L
L
T
--
L
P
F
Q
G
T
D
I
L
L
G
F
-
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
I
R
A
L
D
V
---
R
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
-
V
P
V
A
I
M
------
G
S
A
--------
E
I
--
E
C
L
V
E
I
P
--
T
P
--
Q
-
D
-
Y
W
G
P
V
F
-----
A
I
C
---
I
F
L
F
S
F
I
V
P
V
L
V
I
S
V
C
Y
S
L
----------
M
I
-----------
R
-----------------------
R
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
K
D
R
N
L
R
--------
R
I
T
R
--------
L
V
L
V
V
V
A
V
F
V
G
C
W
T
P
V
Q
V
F
----
V
L
A
Q
G
L
----
G
V
Q
--------
P
---------
S
S
-
E
T
----
A
-
V
A
-
I
L
R
F
C
T
A
L
G
Y
V
N
S
C
L
N
P
I
L
Y
A
F
L
D
E
N
F
K
---
A
C
F
R
K
F
--------------------
24
HHSearch
84.45
21%
-134
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[44-498]
-----------------------------
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
TGTWD
A
-----------------
Y
----------------
G
S
K
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
--------
18
PsiBlast_PDB
84.13
26%
-146
- C2 -
4MQT
2
ACM2_HUMAN
A:
[48-331]
-----------------------------------------
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
DG
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
CI------
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
C
-----------------
19
PsiBlast_PDB
84.06
25%
-144
- C2 -
2Y00
13
ADRB1_MELGA
A:
[3-300]
------------
A
E
L
L
S
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
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
WWRDED
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
LV------
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
---------------------
12
PsiBlast_PDB
83.47
26%
-134
- C2 -
2YCW
7
ADRB1_MELGA
A:
[3-299]
------------
A
E
L
L
S
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
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
WWRDED
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
LV------
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
--------------------
20
PsiBlast_PDB
83.38
25%
-143
- C2 -
2Y01
12
ADRB1_MELGA
A:
[3-300]
------------
A
E
L
L
S
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
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
WWRDED
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
LV------
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
---------------------
17
PsiBlast_PDB
83.35
26%
-143
- C2 -
4MQS
1
?
A:
[48-331]
-----------------------------------------
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
DG
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
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
P
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
CI------
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
------------------
35
HHSearch
83.32
21%
-126
- C2 -
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
P
L
--------
E
----------
W
-
V
T
----
P
-
Y
A
A
Q
L
P
V
M
--
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
---
E
A
I
S
Q
T
F
P
W
V
L
T
C
C
Q
F
D
D
K
E
T
E
D
D
K
D