@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 : MCHR1_HUMAN: (2016-01-11 )
MSVGAMKKGVGRAVGLGGGSGCQATEEDPLPNCGACAPGQGGRRWRLPQPAWVEGSSARLWEQATGTGWMDLEASLLPTGPNASNTSDGPDNLTSAGSPPRTGSISYINIIMPSVFGTICLLGIIGNSTVIFAVVKKSKLHWCNNVPDIFIINLSVVDLLFLLGMPFMIHQLMGNGVWHFGETMCTLITAMDANSQFTSTYILTAMAIDRYLATVHPISSTKFRKPSVATLVICLLWALSFISITPVWLYARLIPFPGGAVGCGIRLPNPDTDLYWFTLYQFFLAFALPFVVITAAYVRILQRMTSSVAPASQRSIRLRTKRVTRTAIAICLVFFVCWAPYYVLQLTQLSISRPTLTFVYLYNAAISLGYANSCLNPFVYIVLCETFRKRLVLSVKPAAQGQLRAVSNAQTADEERTESKGT
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....--..-------.350.--------.--------.....360-........370.......380....--...390........400.......410.......420-
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MS
V
G
A
M
K
K
GVGRAVGLGGGSGCQATEEDPLPNCGACAPGQGGRRWRLPQPAWVEGSSA
R
L
W
EQATGTG
W
M
D
L
E
A
SLLPTGPNASNTSDGPDNLTSAGSP-PRTG-S
I
S
Y
I
N
-
I
I
M
P
S
V
F
G
T
I
C
L
L
G
IIGN
S
T
V
I
F
A
V
V
KKSK
L
H
WCNNVP
D
I
F
I
I
N
L
S
V
V
D
L
L
F
-
L
-LG
M
P
F
M
-
I
H
Q
L
MGNG
V
W
H
F
G
E
T
M
C
T
L
I
TAMDANSQ
F
T
S
T
Y
I
L
T
A
M
A
I
D
R
Y
L
A
TVHPISSTKF---RK
P
S
V
A
T
L
V
I
C
L
L
W
A
L
S
-
F
I
SI
T
P
V
W
L
-
Y
-
A
R
LIPF--PGGA
V
-----
G
CGI--RL--PN----P-DT
D
L
Y
--
W
---
F
T
L
Y
Q
---
F
F
L
A
F
A
L
P
F
V
V
I
T
A
A
Y
V
R
I
L
Q
---
R
M
-------
T
-------------------
S
SV---------------------------------APAS-----------------------------------------------------------------------------------------------------------------------------------------------------------Q------------------------------------------------------------------------------------------------------------------------------------------------------------
R
-
S
I
R
-----
L
R
T
K
R
V
T
R
T
A
I
A
I
C
L
V
F
F
V
C
WA
P
Y
Y
V
L
Q
L
--
T
Q
-------LSISR--------P--------
T
L
T
F
V
Y
-
L
-YNAAISLG
Y
A
N
S
C
L
N
P
F
V
Y
I
V
L
C
E
T
--
F
R
K
R
-
L
V
L
S
VKPAAQG
Q
L
R
AVSNAQTA
D
E
ERTESKGT-
36
HHSearch
85.06
27%
-136
- 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
GTWDA
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
--------------------------
27
HHSearch
84.64
27%
-130
- 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
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
TGTWD-
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
---------------------------
32
HHSearch
82.74
25%
-124
- 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
TGTWDA--
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
--------------------------
25
HHSearch
82.58
25%
-127
- C4 -
3ODU
6
CXCR4_HUMAN (first)
A:
[43-498]
---------------------------------------------------------------------------------------------------------
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
TGTWDAY
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
--------
E
I
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
-----------------
1
PsiBlast_PDB
81.89
32%
-146
- C4 -
4N6H
23
C562_ECOLX (first)
A:
[112-403]
------------------------------------------------------------------------------------------------
G
S
P
G
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
-----------------------
3
PsiBlast_PDB
81.28
31%
-143
- C4 -
4RWD
7
C562_ECOLX (first)
A:
[114-400]
-----------------------------------------------------------------------------------------------------
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
----------------------------
21
PsiBlast_CBE
81.07
31%
-143
- C4 -
4RWD
6
C562_ECOLX (first)
B:
[114-400]
-----------------------------------------------------------------------------------------------------
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
ICV
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
VW
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
-----------------------------
2
PsiBlast_PDB
80.99
31%
-150
- C4 -
4RWA
2
C562_ECOLX (first)
A:
[114-400]
-----------------------------------------------------------------------------------------------------
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
----------------------------
35
HHSearch
80.71
24%
-121
- C4 -
3EML
13
ENLYS_BPT4
A:
[21-472]
--------------------------------------------------------------------------------------------------------------
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
CLFE
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
---------------------
22
PsiBlast_CBE
80.66
31%
-149
- C4 -
4RWA
1
C562_ECOLX (first)
B:
[114-400]
-----------------------------------------------------------------------------------------------------
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
-------------------------------------------------------------------
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
-------------------------------
49
Fugue
78.59
24%
-129
- C4 -
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
T
V
CG
Y
I
Y
N
PEDGDPDNGVNPGTDFKDIVCPLCGVG
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
DFQTPAM
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
----------------------------------
4
PsiBlast_PDB
77.08
31%
-155
- C4 -
5C1M
7
?
A:
[7-294]
----------------------------------------------------------------------------------------------------
P
Q
T
G
-
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
--------------------------------
10
PsiBlast_PDB
77.03
23%
-149
- C4 -
4MBS
8
CCR5_HUMAN (first)
A:
[34-366]
-----------------------------------------------------------------------------------------------------------------
L
L
P
P
L
Y
S
L
V
F
I
F
G
F
V
G
N
M
L
V
I
L
I
L
I
N
Y
K
R
L
---
K
S
M
T
D
I
Y
L
L
N
L
A
I
S
D
L
F
F
-
L
-
L
T
V
P
F
W
-
A
H
--
Y
A
A
A
Q
W
D
F
G
N
T
M
C
Q
L
L
T
G
L
Y
F
I
G
F
F
S
G
I
F
F
I
I
L
L
T
I
D
R
Y
L
A
V
V
H
A
V
F
A
L
K
A
---
R
T
V
T
F
G
V
V
T
S
V
I
T
W
V
V
A
-
V
F
A
S
L
P
N
I
I
-
F
-
T
R
S
Q
K
---
E
G
L
H
Y
-----
T
C
S
S
--
H
F
--
P
Y
----
S
-
Q
Y
Q
F
W
K
N
F
---
Q
T
L
K
I
---
V
I
L
G
L
V
L
P
L
L
V
M
V
I
C
Y
S
G
I
L
K
T
L
L
R
M
-------
K
K
Y
T
C
TVCG
Y
I
Y
N
PEDGDPD
N
G
V
---------------------------------
N
P
G
T
DFKDIPDDWVCPLCGVGKDQ
F
E
-------------------------------------------------------------------------------------------------------------------------------------
E
------------------------------------------------------------------------------------------------------------------------------------------------------------
V
-
E
E
E
-----
K
K
R
H
R
D
V
R
L
I
F
T
I
M
I
V
Y
F
L
F
W
A
P
Y
N
I
V
L
L
--
L
N
T
FQEFFG
L
N
N
C
S
--------
S
--------
S
N
R
L
D
Q
-
A
-
M
Q
V
T
E
T
L
G
M
T
H
C
C
I
N
P
I
I
Y
A
F
V
G
E
E
--
F
R
N
Y
L
L
V
F
F
Q
----------------------------
23
PsiBlast_CBE
76.54
31%
-153
- C4 -
4EA3
3
C562_ECOLX (first)
B:
[124-401]
-------------------------------------------------------------------------------------------------------------
L
K
-
V
T
I
V
G
L
Y
L
A
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
-----------------------------
28
HHSearch
75.85
22%
-122
- C4 -
2RH1
16
ADRB2_HUMAN (first)
A:
[39-477]
-------------------------------------------------------------------------------------------------------------
W
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
TGTWDA--
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
--------------------------
47
Fugue
75.70
21%
-103
- C4 -
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
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
YT
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
T
E
T
S
Q
V
A
P
A
-
48
Fugue
73.00
21%
-92
- C4 -
1U19
15
OPSD_BOVIN
A:
[4-349]
------------------------------------
M
N
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
DY
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
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
T
E
T
S
Q
V
A
P
A
15
PsiBlast_PDB
72.86
26%
-125
- C4 -
2YCZ
2
ADRB1_MELGA
A:
[14-291]
------------------------------------------------------------------------------------------------------------------
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
-
W
W
R
D
E
D
--
P
Q
A
L
K
C
Y
Q
DP
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
IDR----------------------------
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
--------------------------
19
PsiBlast_PDB
72.80
26%
-132
- C4 -
2Y01
12
ADRB1_MELGA
A:
[14-293]
------------------------------------------------------------------------------------------------------------------
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
-
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
---------------------------
18
PsiBlast_PDB
72.76
26%
-132
- C4 -
2Y00
13
ADRB1_MELGA
A:
[14-293]
------------------------------------------------------------------------------------------------------------------
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
-
W
W
R
D
E
D
--
P
Q
A
L
K
C
Y
Q
DP
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
---------------------------