@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 : MRGRE_HUMAN: (2016-01-11 )
MMEPREAGQHVGAANGAQEDVAFNLIILSLTEGLGLGGLLGNGAVLWLLSSNVYRNPFAIYLLDVACADLIFLGCHMVAIVPDLLQGRLDFPGFVQTSLATLRFFCYIVGLSLLAAVSVEQCLAALFPAWYSCRRPRHLTTCVCALTWALCLLLHLLLSGACTQFFGEPSRHLCRTLWLVAAVLLALLCCTMCGASLMLLLRVERGPQRPPPRGFPGLILLTVLLFLFCGLPFGIYWLSRNLLWYIPHYFYHFSFLMAAVHCAAKPVVYFCLGSAQGRRLPLRLVLQRALGDEAELGAVRETSRRGLVDIAA
Atome Classification :
(20 SA)
.........10.....--------------.--------------..20........30........40....-..-..50-....-....60........70....--.-...80.----.......90--.-.....-...100.......110.......120.......130..---.....--140.......150..---....------------.160.------.....--..------170-----....-------.-------.--------------...180.......190.......200...---------------...-------------------------------------------------------------------------------------------------------------------------------------------------------------------.210------------.........220.......230..--..--...240..-----------.-----------....250.......260.......270.......280....--...290.......300.......310----------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MMEP
R
E
AGQHVGAANG--------------A--------------QED
V
A
F
N
L
I
I
L
SLTEGLGLGGLLGN
G
A
V
-
L
W
-
L
LSS-NVYR-N
P
F
A
I
Y
L
L
D
V
A
C
A
D
L
I
F
L
G
C
--
H
-
M
V
A
I
V
P
----
D
L
L
QGRLD---F-P
G
F
V
Q
-
T
S
L
A
T
L
R
F
F
C
Y
I
V
G
L
S
L
L
A
A
V
S
V
E
Q
C
L
A
A
L
F
P
A
W
Y
SCR---RP
R
H
L
--
T
T
C
V
C
A
L
T
W
A
L
C
L
L
L
---
H
L
L
L
------------
S
G
A
-
C
------
T
Q
FFG--
E
P
------
S
-------
R
H
L
C
-------
R
-------
T
--------------
L
W
L
V
A
A
V
L
L
A
L
L
C
C
T
M
C
G
A
S
L
M
L
L
L
RVER---------------GPQ-------------------------------------------------------------------------------------------------------------------------------------------------------------------RP--------------PPRGF
P
G
L
I
L
L
T
V
L
L
F
L
FCGL
P
F
G
--
I
Y
--
W
L
SR
N
L
L
W
-----------
Y
-----------
I
P
H
Y
F
Y
H
F
S
F
L
M
A
A
V
H
CAAK
P
V
V
Y
F
C
LGSAQGRR
L
P
L
R
L
V
L
--
Q
R
ALGDEAEL
G
A
V
R
ETSRRGLVDIAA----------------
33
Fugue
87.08
15%
-127
- C2 -
1U19
15
OPSD_BOVIN
A:
[4-349]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
--------------
T
GVVRSPFEAPQYYL
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
-
Y
V
-
T
V
Q
H
-
K
K
L
R
-
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
--
G
-
F
T
T
T
L
Y
----
T
S
L
H
G
Y
F
V
---
F
-
G
P
T
G
C
-
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
F
R
F
---
G
E
N
H
A
--
I
M
G
-
V
A
F
T
W
V
M
A
L
A
C
---
A
A
P
P
------------
L
V
G
-
W
------
S
R
Y
I
P
--
E
G
------
M
-------
Q
C
S
C
G
I
DYYTP
H
-------
E
--------------
E
T
N
N
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
VFTVKEAAAQQQES
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
CG
K
N
P
L
G
D
D
E
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
------------------
8
HHSearch
86.36
18%
-152
- C2 -
3ODU
6
CXCR4_HUMAN (first)
A:
[43-497]
----------------------------------------------
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
PN
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
F
Q
-------------------------------
28
Fugue
82.37
14%
-139
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
TGVVRSPFEAPQYY
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
DYYTPH
E
--------------
E
T
N
N
E
S
F
V
I
Y
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
VFTVKEAAAS----
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
-----------------
15
HHSearch
79.38
15%
-159
- C2 -
1U19
14
OPSD_BOVIN
A:
[40-329]
---------------------------------------------------
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
DYYTPHEETN
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
GS---------
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
----------------
19
HHSearch
78.78
18%
-162
- C2 -
2KS9
1
NK1R_HUMAN
A:
[32-326]
---------------------------------------------------
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
EWPEHPNKIY
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
DLYLK------
K
-----------
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
G
L
E
M
K
S
T
R
Y
L
Q
T
Q
G
----------------
14
HHSearch
77.65
13%
-160
- C2 -
2Z73
5
OPSD_TODPA
A:
[31-333]
------------------------------------------------
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
DYISRD
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
LE---------
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
A
E
T
E
I
P
A
----------------
7
HHSearch
77.57
16%
-164
- C2 -
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
VR
T
V
------
E
-------
D
G
E
C
-------
Y
-------
I
QFFSN
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
-----------------------------------------
10
HHSearch
76.83
14%
-158
- 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
C
-------
C
-------
D
FFTN
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
----------------------------------------
18
HHSearch
76.29
22%
-155
- C2 -
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
VLGNDTAKWRMVL-
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
--------------------------------------
17
HHSearch
74.22
14%
-173
- 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
SN
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
GTWDAYGV
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
TC---------
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
----------------------------------------
16
HHSearch
74.22
15%
-170
- C2 -
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
----SQGCGE
G
-------
Q
V
A
C
-------
L
-------
F
EDVVP
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
DCS--------
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
-----------------------------------
5
PsiBlast_PDB
73.48
27%
-168
- C2 -
2LNL
-
CXCR1_HUMAN
A:
[53-268]
-----------------------------------------------------------------
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
GWI
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
FLFRQAYHPNNS
S
P
V
-
C
------
Y
E
V
L
G
--
N
D
------
T
AKWRMVL
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
I
Q
E
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
-----------------------------
29
Fugue
69.97
14%
-130
- 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
KNKT
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
G
T
D
F
K
D
I
V
C
P
L
C
--
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
LAGDTFRRR
12
HHSearch
69.52
14%
-158
- C2 -
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
DFYDV
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
----------------------------------------
11
HHSearch
62.47
13%
-163
- C2 -
3V2Y
1
ENLYS_BPT4
A:
[60-495]
------------------------------------------------
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
VLPLYH
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
VKT--------
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
--------------------------------------
1
PsiBlast_PDB
54.34
32%
-177
- C2 -
4PHU
3
ENLYS_BPT4 (first)
A:
[53-148]
----------------------------------------------------------------------------------------
P
S
A
V
Y
A
L
N
L
G
C
S
D
L
L
L
T
V
S
--
L
-
P
L
K
A
V
E
----
A
L
A
S
G
A
W
P
---
L
-
P
A
S
L
C
-
P
V
F
A
V
A
H
F
A
P
L
Y
A
G
G
G
F
L
A
A
L
S
A
A
R
Y
L
G
A
A
F
P
-----------
P
C
Y
--
S
W
G
V
C
A
A
I
W
A
L
V
L
C
H
---
L
G
L
V
------------
F
G
L
-
E
------
A
P
G
G
W
--
L
D
------
H
-------
S
N
T
S
-------
L
-------
G
--------------
I
N
T
P
V
N
G
S
P
V
C
L
E
A
W
D
P
A
S
A
G
P
A
R
F
S
L
S
L
---------------
L
L
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
L
--------------
P
L
A
I
T
A
F
C
F
V
G
C
L
R
A
L
A
R
G
S
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
----------------
6
PsiBlast_PDB
53.78
24%
-156
- C2 -
4EA3
3
C562_ECOLX (first)
A:
[121-251]
-----------------------------------------------
P
L
G
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
----------
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
------------------------
3
PsiBlast_PDB
53.34
20%
-168
- C2 -
4PXZ
3
C562_ECOLX (first)
A:
[48-166]
-----------------------------------------------------------------
G
L
I
T
N
G
L
A
-
M
R
-
I
F
F
Q
-
I
R
S
K
-
S
N
F
I
I
F
L
K
N
T
V
I
S
D
L
L
M
I
L
T
--
F
-
P
F
K
I
L
S
----
D
A
K
L
G
T
G
P
---
L
-
R
T
F
V
C
-
Q
V
T
S
V
I
F
Y
F
T
M
Y
I
S
I
S
F
L
G
L
I
T
I
D
R
Y
Q
K
T
T
R
P
----------
P
K
N
L
L
G
A
K
I
L
S
V
V
I
W
A
F
M
F
L
L
---
S
L
P
N
------------
M
I
L
-
T
------
N
R
Q
P
R
--
D
K
------
N
-------
V
K
K
C
-------
S
-------
F
--------------
L
K
S
E
F
G
L
V
W
H
E
I
V
N
Y
I
C
Q
V
I
F
W
I
N
F
L
I
V
I
---------------
V
C
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
--------------
I
T
K
E
L
Y
R
S
Y
V
R
T
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
A
A
L
D
A
Q
K
A
T
P
P
K
L
E
D
K
S
P
D
S
P
E
M
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
----------------
4
PsiBlast_PDB
50.22
20%
-165
- C2 -
4PY0
1
C562_ECOLX (first)
A:
[48-166]
-----------------------------------------------------------------
G
L
I
T
N
G
L
A
-
M
R
-
I
F
F
Q
-
I
R
S
K
-
S
N
F
I
I
F
L
K
N
T
V
I
S
D
L
L
M
I
L
T
--
F
-
P
F
K
I
L
S
----
D
A
K
--
T
G
P
---
L
-
R
T
F
V
C
-
Q
V
T
S
V
I
F
Y
F
T
M
Y
I
S
I
S
F
L
G
L
I
T
I
D
R
Y
Q
K
T
T
R
-----------
P
K
N
L
L
G
A
K
I
L
S
V
V
I
W
A
F
M
F
L
L
---
S
L
P
N
------------
M
I
L
-
T
------
N
R
Q
P
R
--
D
K
------
N
-------
V
K
K
C
-------
S
-------
F
--------------
L
K
S
E
F
G
L
V
W
H
E
I
V
N
Y
I
C
Q
V
I
F
W
I
N
F
L
I
V
I
---------------
V
C
Y
-------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
--------------
I
T
K
E
L
Y
R
S
Y
V
R
T
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
A
A
L
D
A
Q
K
A
T
P
P
K
L
E
D
K
S
P
D
S
P
E
M
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
----------------
2
PsiBlast_PDB
49.72
20%
-169
- C2 -
4NTJ
3
C562_ECOLX (first)
A:
[48-166]
-----------------------------------------------------------------
G
L
I
T
N
G
L
A
-
M
R
-
I
F
F
Q
-
I
R
S
K
-
S
N
F
I
I
F
L
K
N
T
V
I
S
D
L
L
M
I
L
T
--
F
-
P
F
K
I
L
S
----
D
A
K
L
-------
L
-
R
T
F
V
C
-
Q
V
T
S
V
I
F
Y
F
T
M
Y
I
S
I
S
F
L
G
L
I
T
I
D
R
Y
Q
K
T
T
R
P
--
F
K
T
------
K
N
L
L
G
A
K
I
L
S
V
V
I
W
A
F
M
F
L
L
---
S
L
P
N
------------
M
I
L
-
K
------
S
E
F
G
L
--
V
W
------
H
-------
E
I
V
N
-------
Y
-------
I
--------------
C
Q
V
I
F
W
I
N
F
L
I
V
I
V
C
Y
T
L
I
T
K
E
L
Y
R
S
Y
V
R
---------------
T
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
A
A
L
-----------
D
-----------
A
Q
K
A
T
P
P
K
L
E
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
R
G
V
G
K
V
R
K
K
V
----------------