@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 : T2R39_HUMAN: (2016-01-14 )
MLGRCFPPDTKEKQQLRMTKLCDPAESELSPFLITLILAVLLAEYLIGIIANGFIMAIHAAEWVQNKAVSTSGRILVFLSVSRIALQSLMMLEITISSTSLSFYSEDAVYYAFKISFIFLNFCSLWFAAWLSFFYFVKIANFSYPLFLKLRWRITGLIPWLLWLSVFISFSHSMFCINICTVYCNNSFPIHSSNSTKKTYLSEINVVGLAFFFNLGIVTPLIMFILTATLLILSLKRHTLHMGSNATGSNDPSMEAHMGAIKAISYFLILYIFNAVALFIYLSNMFDINSLWNNLCQIIMAAYPASHSILLIQDNPGLRRAWKRLQLRLHLYPKEWTL
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----......--------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----MLGRCFPPD
T
K
E
K
Q
Q
L
R
M
T
KLCD
P
-------
A
E
SE
L
S
P
F
L
I
T
L
I
-
L
A
V
L
L
A
E
Y
L
I
G
I
IAN
G
F
I
M
A
I
H
A
A
E
W
V
Q
-----NKAVS---------TS
G
R
I
L
V
F
-
L
S
V
------
S
R
I
A
L
Q
S
L
M
-
M
L
E
I
T
----ISST-
S
L
S
F
YSE
D
A
V
--------
Y
Y
A
F
K
I
S
----
F
I
F
L
N
F
C
S
L
W
F
A
A
W
L
S
F
F
Y
F
-----
V
KIANFS
Y
P
L
F
---
L
K
L
R
--
W
R
I
T
G
L
I
P
W
L
L
W
L
S
V
F
I
S
---FSH
S
M
F
C
-
I
N
I
C
T
V
Y
CNNSFPIHS-S---NST
K
-----
K
T
Y
L
--
S
E-I--
N
----
V
--
V
G
L
-
A
--------------
F
F
F
NL
G
I
V
T
P
L
I
M
F
I
L
T
A
T
L
L
I
L
S
L
K
R
H
T
L
HMGSNA-------T-----------------------------------------------------------------------------------------------------------------------------------------------------G------------------------------------------------------------------------------------------------------------------------------------------------------S--------------NDP
S
M
E
A
H
M
G
A
I
K
A
----
I
S
Y
F
--
L
I
L
Y
I
----
F
N
A
V
A
L
F
I
Y
-----
L
----
S
N
---M----F------------
D
----
I
N
S
L
W
N
N
L
C
Q
I
I
M
A
AYPAS----
H
S
I
L
L
I
QDNP
G
-
L
R
R
A
W
K
----
R
L
Q
L
R
L
H
LY----PKEWTL--------------------
32
Fugue
76.09
16%
-112
- C2 -
2GOP
-
?
A:
[10-347]
-----------------
T
F
A
K
F
A
Y
L
S
D
P
R
------
T
K
G
E
L
V
A
Y
V
L
T
K
A
-
N
L
K
D
N
K
Y
E
N
T
I
V
I
E
N
L
K
N
N
A
R
R
F
I
E
N
A
T
-----
M
P
R
I
S
---------
P
D
G
K
K
I
A
F
-
M
R
A
NEEKK
V
S
E
I
W
V
A
D
L
E
-
T
L
S
S
K
----
K
I
L
E
-
A
K
N
I
R
S
L
E
W
N
--------
E
D
S
R
K
L
L
----
I
V
G
F
K
R
R
E
V
P
A
W
E
K
T
T
F
W
I
F
D
TESE
E
V
I
E
E
F
E
K
P
R
F
---
S
S
G
I
--
W
H
R
D
---------
K
I
V
V
N
---
V
P
H
R
E
-----
I
I
P
Q
Y
-
F
K
F
W
D
I
Y
I
-
W
---
E
D
G
K
-----
E
E
K
M
--
F
E
-------------
K
V
-
S
--------------
F
Y
A
V
D
S
D
G
E
R
I
L
L
Y
G
K
P
E
K
K
Y
M
S
E
H
N
K
L
Y
I
Y
D
G
K
E
V
-------
M
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
------------------------------------------------------------------------------------------------------------------------------------------------------
I
L-------------
D
E
V
D
R
G
V
G
Q
A
K
I
K
D
----
G
K
V
Y
--
F
T
L
F
E
----
E
G
S
V
N
L
Y
I
W
-----
D
----
G
----------------------
E
----
I
K
P
I
A
K
G
R
H
W
I
M
--
G
F
D
V
D
----
E
I
V
V
Y
L
K
E
T
A
T
R
L
R
E
L
F
T
W
DG
E
E
K
Q
L
T
D
Y
N
D
----
P
I
F
A
K
L
--------------------
9
HHSearch
67.80
12%
-152
- C5 -
3EML
13
ENLYS_BPT4
A:
[20-472]
-------------------------------------------
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
EGQVA
C
L
F
E
--
D
V
-
V
--
P
----
M
--
N
Y
M
V
Y
--------------
F
N
F
F
A
C
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
N
I
F
E
M
L
R
-------
I
D
E
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTW
D
------------------------------------------------------------------------------------------------------------------------------------------------------
A
--------------
Y
R
S
T
L
Q
K
E
V
H
A
A
K
S
----
L
A
I
I
--
V
G
L
F
A
----
L
C
W
L
P
L
H
I
I
N
----
C
----
F
T
---
F
----
F
CPDCS-------
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
-------------------------
26
Fugue
67.29
16%
-156
- C4 -
1DMU
5
T2B1_BACIU
A:
[1-299]
---------
M
Y
N
L
H
R
E
K
I
F
M
S
Y
N
Q
N
K
Q
Y
-------
L
E
D
N
P
E
I
Q
E
K
I
E
L
-
Y
G
L
N
L
L
N
E
V
I
S
D
N
E
E
E
I
R
A
D
Y
N
E
A
N
F
L
H
-----
P
F
W
M
N
YPPLDRGKM
P
K
G
D
Q
I
P
W
-
I
E
V
------
G
E
K
A
V
G
S
K
L
-
T
R
L
V
S
Q
RED
I
T
V
R
-
E
I
G
L
P
T
G
P
D
E
--------
R
Y
L
L
T
-
S
----
P
T
I
Y
S
L
T
N
G
F
T
D
S
I
M
M
F
V
D
I
K
S
---
V
G
P
R
D
S
D
Y
D
L
V
---
L
S
-
P
--
N
Q
V
S
G
N
G
D
W
A
--------------------
Q
L
E
G
G
I
Q
N
N
Q
Q
T
I
Q
G
-
P
---
R
S
-
S
-----
Q
I
F
L
--
P
T
-
I
--
P
----
P
--
L
Y
I
------------------
L
S
D
G
T
I
A
P
V
V
H
L
F
I
K
P
I
Y
A
M
R
S
L
T
K
-------
G
D
-------
T
-----------------------------------------------------------------------------------------------------------------------------------------------------
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
S
----
L
Y
K
I
--
K
L
A
S
V
----
P
N
G
L
G
L
F
C
N
-----
P
----
G
Y
---
A
----
F
------------
D
------
S
A
Y
K
F
L
F
R
P
G
-----------------
K
D
D
R
T
-
K
S
L
L
Q
K
----
R
V
R
V
D
L
R
V
L
D
K
I
G
P
R
V
M
T
I
D
MDK----------------
14
HHSearch
66.87
13%
-136
- C5 -
2Z73
5
OPSD_TODPA
A:
[29-335]
---------------------------------------
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
GPLE--------
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
--------------------
12
HHSearch
66.78
13%
-135
- C5 -
2KS9
1
NK1R_HUMAN
A:
[32-325]
--------------------------------------------
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
KIY
E
K
--
V
Y
H
-
I
--------------
C
V
T
V
L
I
Y
F
L
P
L
L
V
I
G
Y
A
Y
T
V
V
G
I
T
L
W
A
S
E
I
P
G
D
S
S
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
--------------
Y
H
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
YLKK
F
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
D
Y
E
--------------------
13
HHSearch
65.85
12%
-140
- C5 -
1U19
14
OPSD_BOVIN
A:
[34-327]
--------------------------------------
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
TP
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
--------------------
11
HHSearch
65.15
11%
-135
- C5 -
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
CQT
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
----------------------------------
5
HHSearch
64.49
12%
-141
- C5 -
3ODU
6
CXCR4_HUMAN (first)
A:
[42-498]
--------------------------------------
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
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
---------------------
10
HHSearch
64.28
12%
-136
- C5 -
3V2Y
1
ENLYS_BPT4
A:
[58-495]
---------------------------------------
D
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
I
-------
D
EGLRL
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
TGTW-
D
------------------------------------------------------------------------------------------------------------------------------------------------------
A
--------------
Y
A
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
CKVKT-------
C
----
D
I
L
F
R
A
E
Y
F
L
V
L
A
V
L
N
S
G
T
----
N
P
I
I
Y
T
L
T
N
K
E
-
M
R
R
A
F
I
----
R
I
M
G
R
P
L
--------------------------------
6
HHSearch
64.10
11%
-141
- C5 -
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
TGTW--------------------------------------------------------------------------------------------------------------------------------------
D
--------------
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
CK----------
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
----------------------------------
3
HHSearch
63.26
13%
-135
- C5 -
3UON
4
ACM2_HUMAN (first)
A:
[23-457]
--------------------------------------------
V
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
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
CAP---------
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
Fugue
63.21
14%
-146
- C1 -
4TNW
-
?
A:
[1-342]
S
D
S
K
I
L
A
H
L
F
T
S
G
Y
D
F
R
V
R
P
P
T
D
N
-
G
G
P
-------
V
V
V
S
V
N
M
L
L
R
T
I
S
K
I
D
V
V
N
M
E
Y
S
A
Q
L
T
L
R
E
S
W
I
D
K
R
L
S
Y
G
V
K
GDGQP
D
F
V
I
L
---------
T
V
G
H
Q
I
W
M
-
P
D
T
------
F
F
P
N
E
K
Q
A
Y
-
K
H
T
I
D
----
K
P
N
V
-
L
I
R
I
H
N
D
G
T
V
--------
L
Y
S
V
R
I
S
----
L
V
L
S
--
C
P
M
Y
L
Q
Y
Y
P
M
D
V
Q
Q
-----
C
S
I
D
L
A
S
Y
A
Y
T
TKD
I
E
Y
L
--
W
K
E
H
S
P
L
Q
L
K
V
G
L
S
S
S
L
P
------
S
F
Q
L
-
T
N
T
S
T
T
Y
C
T
S
V
----
T
-
N
---
T
G
I
Y
-----
S
C
L
R
--
T
T
-
I
--
Q
----
L
--
K
R
E
-
F
--------------
S
F
Y
L
L
Q
L
Y
I
P
S
C
M
L
V
I
V
S
W
V
-
S
F
W
F
D
R
T
A
I
P
A
R
V
T
L
-------
G
-----------------------------------------------------------------------------------------------------------------------------------------------------
V
------------------------------------------------------------------------------------------------------------------------------------------------------
T
--------------
T
L
L
T
M
T
A
Q
S
A
G
I
N
S
Q
LPP
V
S
Y
I
K-
A
I
D
V
W
----
I
G
A
C
M
T
F
I
F
-----
C
----
A
L
---
L
E
---
F
------------
A
----
L
V
N
H
I
A
N
A
G
T
T
E
W
N
D
I
S
K
R
----
V
D
L
I
S
R
A
L
F
P
V
-
L
F
F
V
F
N
----
I
L
Y
W
S
R
F
G
H
----
H
H
------------------------
2
PsiBlast_PDB
60.44
22%
-147
- C5 -
4DJH
1
ENLYS_BPT4 (first)
A:
[18-225]
----------------------------------------
S
P
A
I
P
V
I
I
-
T
A
V
Y
S
V
V
F
V
V
G
L
V
G
N
S
L
V
M
F
V
----
I
I
R
-----
Y
T
K
M
K
---------
T
A
T
N
I
Y
I
F
N
L
A
L
------
A
D
A
L
V
T
T
T
M
-
P
F
Q
S
T
----
V
Y
L
M
-
N
-
S
W
P
F
G
D
V
L
C
K
I
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
-------
L
K
--
A
K
I
I
N
I
C
I
W
L
L
S
S
S
V
G
I
S
A
I
V
L
G
G
T
K
V
R
-
E
D
V
D
V
I
E
C
S
L
Q
F
P
--
D
-
D
---
D
Y
S
W
-----
W
D
L
F
--
M
K
-
I
--
C
----
V
--
F
I
F
-
A
--------------
F
------
V
I
P
V
L
I
I
I
V
C
Y
T
L
M
I
L
R
L
K
S
V
R
L
L
S
G
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
R
--------------------
15
HHSearch
57.37
9%
-139
- C5 -
2LNL
-
CXCR1_HUMAN
A:
[37-322]
------------------------------------------
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
---
T
Q---
V
IQE
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
--------------------------------
4
HHSearch
57.08
9%
-139
- C5 -
2RH1
16
ADRB2_HUMAN (first)
A:
[36-477]
----------------------------------------
D
E
V
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
TGT-
W
------------------------------------------------------------------------------------------------------------------------------------------------------
D
--------------
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
QDN---------
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
----------------------------------
33
Fugue
56.12
11%
-162
- C4 -
1MKM
2
?
A:
[4-249]
------------
M
N
T
L
K
K
A
F
E
I
L
D
F
I
V
K
-------
N
P
G
D
V
S
------
V
-
S
E
I
A
E
K
F
N
M
S
V
S
N
A
Y
K
Y
M
V
V
L
E
E
K
G
F
V
L
-----
R
K
K
D
K
---------
R
Y
V
P
G
Y
K
L
-
I
E
Y
------
G
S
F
V
L
R
R
F
-----------------------------------------------------------------------
N
I
R
D
I
A
H
D
H
L
---
V
D
I
M
--
K
R
T
G
--------
E
T
V
H
L
I
---
L
K
D
G
F
E
G
-
V
Y
I
D
K
V
E
G
E
Q
S
I
P
M
V
S
-
R
--------------------------------
L
G
M
-
K
--------------
V
D
L
Y
S
T
A
S
G
K
S
I
L
A
F
V
P
E
K
E
L
K
E
Y
L
K
I
V
E
L
K
P
K
T
P
N
-------
T
-----------------------------------------------------------------------------------------------------------------------------------------------------
I
------------------------------------------------------------------------------------------------------------------------------------------------------
T
--------------
N
P
R
V
L
K
R
E
L
E
K
I
R
K
----
R
G
Y
A
--
V
D
N
E
E
NEIG
I
M
C
V
G
V
P
I
F
-----
D
----
H
N
-------------------------------
G
Y
P
V
A
G
V
S
I
S
G
V
A
R
----
K
F
-----
T
E
E
K
-
I
E
E
Y
S
D
----
V
L
K
E
K
A
E
E
I
----
S
R
K
L
G
Y
--------------------
27
Fugue
55.44
10%
-109
- C4 -
3VPL
3
3XYN1_VIBSX
A:
[1-324]
----
L
D
G
V
L
V
P
E
S
G
I
L
V
S
V
G
Q
D
V
D
S
V
N
D
-------
Y
A
S
A
L
G
T
I
P
A
G
V
T
-
N
Y
V
G
I
V
N
L
-------------
D
G
L
N
S
D
A
-----
D
A
G
A
G
---------
R
N
N
I
A
E
L
A
-
N
A
Y
------
P
T
S
A
L
V
V
G
V
-
S
M
N
G
E
----
V
D
A
V
-
A
S
G
R
Y
N
A
N
I
D
--------
T
L
L
N
T
L
A
G
Y
D
R
P
V
Y
L
R
W
A
Y
E
V
D
G
P
W
N
G
H
-------------------------------
S
P
S
G
I
V
T
S
F
Q
Y
V
H
D
R
---
I
I
A
L
G
H
Q
-
A
K
I
S
L
V
W
Q
V
A
S
Y
C
P
T
P
-
G
---
G
Q
L
D
-----
Q
W
W
P
--
G
S
-
E
--
Y
----
V
D
W
V
G
L
-
S
Y
F
APQDCNW
D
R
V
N
E
A
A
Q
F
A
R
S
K
G
K
P
L
F
L
N
E
S
T
P
Q
R
Y
Q
V
A
D
L
T
Y
S
A
D
P
A
K
G
-------
T
-----------------------------------------------------------------------------------------------------------------------------------------------------
N
------------------------------------------------------------------------------------------------------------------------------------------------------
R
--------------
Q
S
K
T
S
Q
Q
L
W
D
E
W
F
A
----
P
Y
F
Q
--
F
M
S
D
N
----
S
D
I
V
K
G
F
T
Y
-----
I
----
N
A
---
D
----
W
------------
D
----
S
Q
W
R
W
A
A
------
P
Y
N
E
G
Y
----
W
G
D
S
R
V
Q
A
N
A
L
-
I
K
S
N
W
Q
----
Q
E
I
A
K
G
Q
Y
I
----
N
H
S
E
T
L
F
E
T
L
GY--------------
28
Fugue
47.23
11%
-105
- C3 -
1W5C
9
PSBD_THEEB
D:
[1-350]
---------
M
T
I
A
I
G
R
A
P
A
E
R
G
W
F
D
I
L
D
-------
D
W
L
K
R
D
R
F
V
F
V
G
W
-
S
G
I
L
L
F
P
C
A
Y
-
L
A
L
G
G
W
L
T
G
T
T
F
V
T
S
W
Y
-----
T
H
G
L
A
---------
S
S
-----
Y
-
L
E
G
------
C
N
F
L
T
V
A
V
S
-
T
P
A
N
S
----
M
G
H
S
-
L
L
L
L
W
G
P
E
A
Q
-----------------------
G
D
F
T
R
W
C
Q
L
G
G
L
W
T
F
I
-----
A
L
H
G
A
F
G
L
I
G
F
---
M
L
R
Q
--
F
E
I
A
R
L
V
G
V
R
P
Y
N
A
I
A
F
S
---
A
P
I
A
V
F
V
-
S
V
F
------
L
I
Y
P
L
G
Q
-
S
---
S
W
F
F
-----
A
P
S
F
--
G
V
-
A
--
A
----
I
--
F
R
F
-
L
--------------
L
F
F
Q
G
F
H
N
W
T
L
N
P
F
H
M
M
G
V
A
G
V
L
G
G
A
L
L
C
A
I
H
G
A
T
V
-------
E
-----------------------------------------------------------------------------------------------------------------------------------------------------
N
------------------------------------------------------------------------------------------------------------------------------------------------------
T
LFQDGEGASTFRAF
N
P
T
Q
A
E
E
T
Y
S
M
V
T
A
----
N
R
F
W
S
Q
I
F
G
I
A
----
F
S
N
K
R
W
L
H
F
-----
F
----
M
L
---
F
----
V
------------
P
----
V
T
G
L
W
M
S
A
I
G
V
V
G
L
A
L
N
L
R
SYDF
I
S
Q
E
I
R
A
A
E
D
P
-
E
F
E
T
F
Y
----
T
K
N
L
L
L
N
E
G
----
I
R
A
W
M
A
PQDQPH
E
N
F
V
F
P
EEVLPRGN
1
PsiBlast_PDB
41.25
27%
-83
- C5 -
3ZS7
1
?
A:
[105-180]
--------------
R
E
K
E
D
K
K
L
T
F
I
C
D
P
VMKE
V
L
D
A
Y
R
E
L
V
P
L
A
D
I
V
T
-
P
N
Y
F
E
A
S
L
L
S
G
V
T
V
N
D
L
S
S
A
I
L
A
A
D
W
F
H
-----
N
C
G
V
A
---------
H
V
I
I
K
S
F
R
-
N
P
T
------
H
L
R
F
L
Y
S
V
K
-
E
G
S
E
A
----
A
V
R
R
-
F
S
G
V
V
P
Y
H
E
G
--------
R
Y
T
G
T
G
D
----
V
F
A
A
C
L
L
A
F
S
H
S
H
P
M
D
V
A
I
G
-----
K
S
M
A
V
L
Q
E
L
I
I
---
A
T
R
K
--
S
R
E
L
R
V
V
A
S
P
Q
V
V
L
Q
P
S
T
---
V
V
D
V
K
P
I
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
31.94
12%
-47
- C5 -
3EML
3
A:
[388-472]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
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
CPDC
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
---------------------------------