@TOME V2.2
(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 : T0790: (2014-05-22 )
MGPNAVELTTDQAWCLADVLGAGSYPWVLAITPPYSDHSQRSAFLAAQSAELTRMGVVNSAGAVDPRVAQWITTVCRATQWLDLRFVSGPGDLLRGMVARRSEETVVALRNAQLVTFTAMDIGHQHALVPVLTAGLSGRKPARFDDFALPAAAGARADEQIRNGAPLAEVLEFLGVPPSARPLVESVFDGRRTYVEIVAGEHRDGHRVTTEVGVSIIDTPHGRILVHPTKAFDGEWISTFTPGSADAIAMAVERLTASLPSGSWFPDQPLTRDFDEDAATHREPVLQRRTQKA
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.-------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
--------------------------------------------------------------MGPN
A
V
E
L---TT-----D
Q
A
W
C
--
L
A
D
----
V
LGA--------G----------SY
P
-------------
W
V
L
A
IT-PPYSD
H
--
S
Q
-
R
S
A
F
L
---
A
AQSAE
L
--
T
RMGV----------------VNSA---GAV
D
--
P
----------
R
V
A
Q
W
I
T
T
V
-------
C
-R-----A---------------------T
Q
W
----
L
--
D
L
R
F
VSG
P
--
G
D
L
-
L
R
-----
G
M
-
V
AR---RSE---
E
T
V
V
A
--
L
------------R---N
A
Q
L
V
T
----
F
T
A
MDIGH---Q-H-
A
L
V
------
P
V
L
T
A------GLSGRKPAR--F-----D------DFALPAAAGAR
A
-----
D
------
E
Q
IRN-----------GA----------
P
L
A
E
V
L
E
-------
F
-LG--VP---------------------------------------P--------S
A
R
P
L
V
E
S
V
F----DG----------R
R
T
Y
V
---
E
I
-----------
V
AGE-----------H---RDG
H
R
V
T
T
EV-
G
-------------
V
S
I
I
-------------D---TPH-------------
G
R
I
L
--------------
V
H
------PTKAF------D------G
E
W
I
S
---
T
FTPG-----
S
--------
A
D
A
I
-----
A
M
A
V
E
R
L
-
T
A
SLPSGS------W----F------P---------------------------------------DQ-PLTRDF
D
--
E
--------
D
A
A
-
T
H
R
E
P
V
L
Q
R
RTQKA-------------------
9
Fugue
77.10
13%
-46
- C2 -
1KOB
1
?
A:
[23-374]
------------------------------------------------INDYDKFYEDIWKK
Y
V
P
Q
P
V
E
V
K
QG
S
V
-----
Y
D
Y
Y
D
--
I
L
E
----
E
L
G
S
--------
G
----------
A
F
G
-------------
V
V
H
R
C
V
-
E
K
A
T
G
R
--
V
F
-
V
A
K
F
I
N
T
P
Y
P
L
D
K
Y
T
--
V
K
N
E
I
----------------
S
I
M
N
---
Q
L
H
H
--
P
----------
K
L
I
N
L
H
D
A
F
-------
E
D
K
-----
Y
---------------------
E
M
V
----
L
--
I
L
E
F
L
S
G
---
G
E
L
-
F
D
-----
R
I
-
A
A
E
---
D
Y
K
---
M
S
E
A
E
--
V
------------
I
---
N
Y
M
R
Q
A
----
C
E
G
L
K
H
M
H
---
E
-
H
-
S
I
V
HLDIKP
E
N
I
M
C
------
E
T
K
K
A
S
S
V
K
--
I
-----
I
------
D
F
G
L
A
T
K
L
N
P
D
E
-----
I
------
V
K
V
T
T
-----------
A
T
----------
A
E
F
A
A
P
E
-------
I
-
V
D
--
R
E
---------------------------------------
P
VG
F
Y
T
D
M
W
A
I
G
V
L
G
Y
V
L
L
----
S
G
LSPFAGED
D
-
L
E
T
L
Q
---
N
V
-----------
K
R
C
D
-----------
W
E
F
D
E
D
A
F
S
S
V
S
P
E
-
A
-------------
K
D
F
I
-------------
K
N
L
L
Q
K
E
-------------
P
R
K
R
--------------
L
T
------
V
H
D
A
L
------
E
------
H
P
W
L
K
GDH
S
N
L
T
S
-----
R
--------
I
P
S
S
-----
R
Y
N
K
I
R
Q
-
K
I
K
E
K
Y
A
D
------
W
----
P
------
A
---------------------------------------
P
Q
-
P
A
I
G
R
I
A
--
N
--------
F
S
S
-
L
R
K
H
R
P
Q
E
Y
Q
I
Y
D
S
Y
F
DRKEA------------
8
Fugue
73.86
21%
7
- C2 -
1O9G
-
AVRA_STRVR
A:
[2-250]
-------------------------------------------------------------S
A
Y
R
H
A
V
E
R
M--
D
S
-----
S
D
L
A
C
--
G
V
V
----
L
H
S
A
--------
P
----------
G
Y
P
---------------------------------
A
F
P
---
V
R
L
A
T
E
I
--
F
Q
R
A
L
----------------
A
R
L
P
---
G
--
D
--
G
----------
P
V
T
L
W
D
P
C
C
-------
G
--------------------------------------------
S
G
Y
--
L
L
T
-
V
L
-----
G
L
-
L
H
R
---
R
S
L
---
R
Q
V
I
A
--
S
------------
D
-------
V
D
----
P
A
P
L
E
L
A
A
---
K
-
N
-
L
A
L
-------
L
S
P
A
------
G
L
T
A
R
E
L
E
R
--
R
-----
E
------
Q
S
E
R
F
G
K
--
P
S
Y
-----
L
------
E
A
A
Q
A
-----------
A
R
----------
R
L
R
E
R
L
T
-------
A
-
E
G
--
G
A
---------------------------------------
L
--------
P
C
A
I
R
T
A
D
V
F
----
D
-----------
P
R
A
L
S
---
A
V
-----------
L
A
G
S
-----------
A
---
P
D
--
V
V
L
T
D
L
-
P
-------------
Y
G
E
R
-------------
T
---
H
W
E
-------------
G
Q
V
P
--------------
G
Q
------
P
V
A
G
L
------
L
------
R
S
L
A
S
---
A
L
--------
P
--------
A
H
A
V
-----
I
A
V
T
D
R
--
S
R
K
I
P
V
A
P
------
V
----
K
------
A
---------------------------------------
L
E
-
R
L
K
I
G
-
T
--
R
--------
S
A
V
M
V
R
A
A
D
V
L
E
A
G
P
----------------------
14
Fugue
71.07
17%
-64
- C2 -
2CY7
-
ATG4B_HUMAN
A:
[5-377]
--------------------------------------------------------------------
T
L
---
T
Y
-----
D
T
L
R
F
--
A
E
F
----
E
D
F
P
--------
E
----------
T
S
E
-------------
P
V
W
I
L
G
-
R
K
Y
S
I
F
--
T
E
-
K
D
E
I
L
---
S
D
V
A
S
R
L
W
F
T
Y
R
K
N
----------------
F
P
A
I
---
G
G
T
G
--
P
TSDTGWG
C
M
L
R
C
G
Q
M
I
F
A
Q
-------
A
-
L
-----
V
---------------------
C
R
H
----
L
GR
D
W
R
W
T
Q
R
K
RQ
P
D
S
-
Y
F
-----
S
V
-
L
N
A
F
ID
R
K
D
---
S
Y
Y
S
I
--
H
------------
Q
---
I
A
Q
M
G
V
----
G
E
G
K
S
I
G
Q
---
W
-
Y
-
G
P
N
------
T
V
A
Q
V
------
L
K
K
L
A
V
F
D
T
--
W
-----
S
------
S
L
A
V
H
I
A
M
D
N
T
V
V----
M
------
E
E
I
R
R
-----------
L
C
RTSVPCSPWR
P
L
V
L
L
I
P
-------
L
R
L
G
--
L
T
---------------------------------------
D
--------
I
N
E
A
Y
V
E
T
L
K
----
H
C
F
M
--------
M
P
Q
S
L
---
G
V
-----------
I
G
G
K
-----------
P
---
N
S
A
H
Y
F
I
G
Y
V
-
G
-------------
E
E
L
I
-------------
Y
L
--
D
P
H
T
------------
T
Q
P
A
--------------
V
E
------
G
C
F
I
P
------
D
------
E
S
F
H
C
---
Q
H
P
P
------------------
C
-----
R
M
S
I
A
E
L
-
D
P
S
I
A
V
G
F
------
F
----
C
------
K
---------------------------------------
T
E
-
D
D
F
N
D
W
C
--
Q
--------
Q
V
K
-
K
L
S
L
L
P
M
F
E
L
V
E
Q
Q
PD
V
L
N
L
SLD
S
S
D
V
E
R
L---
17
SP3
70.38
8%
-56
- C2 -
1JYE
1
LACI_ECOLI
A:
[62-332]
-------------------------------------------------------------------------------------------------------------------------------------
L
L
I
G
V
A
-
T
S
S
L
A
L
--
H
A
-
P
S
Q
I
V
---
A
A
I
L
S
R
A
--
D
Q
L
G
A
S
V
V
V
------------
S
M
V
E
---
R
S
G
V
--
E
----------
A
C
K
T
A
V
H
N
L
-------
L
-
A
-----
Q
---------------------
R
V
S
----
G
--
L
I
I
N
Y
P
L
D
--
D
Q
D
-
A
I
-----
A
V
-
E
A
A
---
C
T
N
---
V
P
A
L
F
--
L
------------
D
---
V
S
D
Q
T
P
----
I
N
S
I
I
F
S
H
-----
E
-
D
G
T
------
R
L
G
V
E
------
H
L
V
A
L
G
H
Q
Q
--
I
A
L
L
A
G
P
------
L
S
S
V
S
A
R
L
R
L
A
G
-----
W
------
H
K
Y
L
T
-----------
R
N
----------
Q
I
Q
P
I
A
E
-------
R
-
E
G
DW
S
A
---------------------------------------
M
--------
S
G
F
Q
Q
T
M
Q
M
L
----
N
E
----------
G
I
V
P
T
---
A
M
-----------
L
V
A
N
D
Q
M
A
L
G
A
M
R
A
I
T
---
E
S
G
L
R
V
G
A
D
I
-
S
-------------
V
V
G
Y
-------------
D
---
D
T
E
-------------
D
S
S
C
--------------
Y
I
------
P
P
L
T
----------------------
T
I
K
Q
D
-----
F
--------
R
L
L
G
-----
Q
T
S
V
D
R
L
-
L
Q
L
S
-
Q
G
Q
-----------
A
------
V
---------------------------------------
K
G
-
N
Q
L
L
P
V
S
L
V
K
--------
R
K
T
-
T
-
L
A
P
----------------------------
16
SP3
68.65
12%
-49
- C2 -
1VPW
1
PURR_ECOLI
A:
[2-339]
------------------------------------------T
I
K
D
V
A
K
R
A
NVS
T
T
T
V
S
H
V
I
N
K
T
R
F
V
A
E
E
--
T
R
-----
N
A
V
W
A
--
A
I
K
----
E
L
H
Y
--------
S
PS
A
V
A
R
S
M
K
V
N
H
T
-------------
K
S
I
G
L
L
-
A
T
S
S
E
A
--
A
Y
-
F
A
E
I
I
---
E
A
V
E
K
N
C
--
F
Q
K
G
Y
T
L
I
-------------
L
G
N
A
---
W
N
N
L
--
E
----------
K
Q
R
A
Y
L
S
M
M
-------
A
-
Q
-----
K
---------------------
R
V
D
----
G
--
L
L
V
M
C
S
E
Y
--
P
E
P
-
L
L
-----
A
M
-
L
E
E
---
Y
R
H
---
I
P
M
V
V
--
M
D-----------
W
---
G
E
A
K
A
D
----
F
T
D
A
V
I
D
N
---
A
-
F
-
E
G
G
------
Y
M
A
G
R
------
Y
L
I
E
R
G
H
R
E
--
I
G
V
I
P
G
P
------
L
E
R
N
T
G
A
G
R
L
A
G
-----
F
------
M
K
A
M
E
E
A
---------
M
I
----------
K
V
P
E
S
W
I
-------
V
-
Q
G
DF
E
P
---------------------------------------
E
--------
S
G
Y
R
A
M
Q
Q
I
L
----
S
Q
----------
P
H
R
P
T
---
A
V
-----------
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
---
E
M
G
L
R
V
P
Q
D
V
-
S
-------------
L
I
G
Y
-------------
D
---
N
V
----------------------------------------
R
N
A
R
Y
------
F
------
T
P
A
L
T
---
T
I
H
Q
P
-----
K
--------
D
S
L
G
-----
E
T
A
F
N
M
L
-
L
D
R
I
V
N
K
R
------
E
----
E
------
P
---------------------------------------
Q
S
I
E
V
H
P
R
L
I
--
E
--------
R
R
S
-
V
A
D
G
P
F
---
R
D
Y
R
--------------------
18
SP3
66.53
11%
-54
- C2 -
1DBQ
-
PURR_ECOLI
A:
[8-289]
-------------------------------------------------------------------------------------------------------------------------------------
K
S
I
G
L
L
-
A
T
S
S
E
A
--
A
Y
-
F
A
E
I
I
---
E
A
V
E
K
N
C
--
F
Q
K
G
Y
T
L
I
-------------
L
G
N
A
---
W
N
N
L
--
E
----------
K
Q
R
A
Y
L
S
M
M
-------
A
-
Q
-----
K
---------------------
R
V
D
----
G
--
L
L
V
M
C
S
E
Y
--
P
E
P
-
L
L
-----
A
M
-
L
E
E
---
Y
R
H
---
I
P
M
V
V
--
M
D
-----------
W
---
G
E
A
K
A
D
----
F
T
D
A
V
I
D
N
---
A
-
F
-
E
G
G
------
Y
M
A
G
R
------
Y
L
I
E
R
G
H
R
E
--
I
-----
G
------
V
I
P
G
P
A
G
R
L
A
G
F
-----
M
------
K
A
M
E
E
A
----------
M
I
----------
K
V
P
E
S
W
I
-------
V
-
Q
G
DF
E
P
---------------------------------------
E
--------
S
G
Y
R
A
M
Q
Q
I
L
----
S
Q
----------
P
H
R
P
T
---
A
V
-----------
F
C
G
G
D
I
M
A
M
G
A
L
C
A
A
D
---
E
M
G
L
R
V
P
Q
D
V
-
S
-------------
L
I
G
Y
-------------
D
---
N
V
----------------------------------------
R
N
A
R
Y
------
F
------
T
P
A
L
T
---
T
I
H
Q
P
-----
K
--------
D
S
L
G
-----
E
T
A
F
N
M
L
-
L
D
R
I
V
N
K
R
E
E
P
Q
S
I
E
----
V
------
H
---------------------------------------
P
R
-
L
I
E
R
R
-
S
--
V
--------
A
D
G
-
P
F
R
D
--
Y
R
R
------------------------
19
SP3
65.95
10%
-75
- C2 -
1AF7
1
?
?:
[1-274]
----------------------------------------------------------S
V
L
L
Q
M
T
Q
R
L
A
L
---
S
D
-----
A
H
F
R
R
--
I
C
Q
----
L
I
Y
Q
--------
R
----------
A
------------------
G
I
V
-
L
---
A
D
--
H
K
-
R
D
M
V
Y
---
N
R
L
V
R
R
L
--
R
A
L
G
L
-----------------------------
D
----------
D
F
G
R
Y
L
S
M
L
-------
E
-
A
N
----
Q
---------------------
N
S
A
E
W
Q
A
F
--
I
N
A
L
T
T
N
L
--
T
A
F
-
F
R
EA
H
H
F
P
I
-
L
A
E
---
H
---------
A
--
R
------------
R
---
R
H
G
E
Y
R
----
V
W
S
A
A
A
S
T
G
E
E
P
-
Y
-
S
I
A
------
I
T
L
A
D
------
A
L
G
M
-
A
P
G
R
--
W
-----
K
V
F
A
S
--
D
I
D
------
T
E
V
-----
L
------
E
K
A
R
S
-----------
G
I
----------
Y
R
L
S
E
L
K
----------
T
--
L
S
---------------------------------------
P
--------
Q
Q
L
Q
R
Y
F
M
R
G
----
T
G
----------
P
H
----------------------------------------------
E
G
-
L
-------------
V
R
V
R
-------------
Q
---
E
L
A
-------------
N
Y
V
E
--------------
F
S
S
V
N
LLE
K
Q
Y
N
V
------
P
------
G
P
F
D
A
---
I
F
C
R
N
VMIYF
D
--------
K
T
T
Q
-----
E
D
I
L
R
R
F
-
V
P
L
L
K
P
D
G
------
L
----
L
F
A
G
HSE
N
---------------------------------------
F
S
-
N
L
V
R
E
F
S
--
L
--------
R
G
Q
-
T
V
Y
A
L
S
---------------------------
6
Fugue
61.63
17%
-56
- C2 -
4EPQ
1
?
A:
[34-472]
----------------------------------------------D
Y
Q
F
P
L
PQKN
S
E
L
W
I
I
Q
K
K
T
L
Q
D
L
---
S
S
GKQKL
D
S
F
Q
S
--
L
E
S
----
I
L
E
I
L
R
DSKNQN
D
----------
E
K
Y
-------------
F
N
L
K
A
V
-
F
E
Q
L
D
K
--
E
E
-
Q
T
Y
F
L
---
E
Q
F
I
P
K
I
--
C
Q
L
V
L
K
IKKK
Q
L
K
N
Q
IPKESK
I
Y
E
A
---
A
F
S
R
--
E
----------
E
I
S
Y
Y
V
S
C
M
F
L
CILKD
Q
-
D
-----
R
---------------------
K
I
Y
----
K
--
D
F
R
L
I
Y
-
L
--
K
D
L
-
V
Q
-----
Q
I
-
N
I
R
---
R
Q
E
---
K
I
K
C
F
--
Y
E
Y
L
K
Q
A
L
D
FS
E
K
E
---
S
K
E
V
V
I
----
F
Q
R
I
N
C
G
Q
L
E
D
Y
-
E
-
N
W
V
------
D
K
L
K
A
IKL
K
N
V
Q
L
T
D
D
K
L
I
E
--
D
-----
F
PGTLQV
D
F
A
N
C
D
I
G
G
G
I
L
GNGLV
Q
------
E
E
I
R
F
-----------
C
V
----------
C
P
E
M
L
V
S
-------
L
-
L
V
--
F
D
---------------------------------------
Q
--------
S
M
E
A
N
E
V
I
I
M
----
K
G
----------
I
K
Q
Y
S
---
D
Y
QGYSNS
F
R
F
V
K
M
G
N
S
-----------
K
---
I
Q
K
Q
K
R
T
N
P
Q
-
T
-------------
I
L
A
I
-------------
D
---
A
L
C
FNSSDNQFS
E
V
N
V
S
R
E
L
--------------
N
K
------
S
Y
M
G
F
K
-----
Q
------
E
D
Q
L
K
---
T
I
S
T
G
-----
K
WGCGAFLG
V
F
D
L
-----
K
F
A
I
Q
W
I
-
A
S
S
R
S
N
K
K
------
M
I
I
C
T
F
------
Q
---------------------------------------
D
E
-
Q
T
T
K
Q
I
Q
--
Q
V
F
D
L
Y
KQK
N
A
S
-
I
F
L
K
L
V
M
D
Y
P
N
S
K
Y
MEDYT
L
L
E
Y
L
I
E
L
G
K
E
KA-
11
Fugue
55.43
11%
-39
- C2 -
2QRL
1
LYS1_YEAST
A:
[24-394]
--------------A
V
T
L
H
L
R
A
E
TKPLEARAALT
P
T
T
V
K
K
L
I
A
K
G
F
K
I
Y
V
E
DSPQSTFN
I
N
E
Y
R
Q
A
G
A
I
I
---
V
P
-----
A
G
S
W
K
--
T
A
P
RD
R
I
I
I
G
L
--------
K
----------
E
M
P
ETDTFPLVHEHIQ
F
A
H
C
Y
K
-
D
Q
A
G
W
Q
--
N
V
-
L
M
R
F
I
---
K
G
H
G
T
L
Y
--
D
L
E
F
L
----------------
E
N
D
Q
---
G
R
R
V
--
A
----------
A
F
G
F
Y
A
G
F
A
-------
G
-
A
-----
A
---------------------
L
G
V
----
R
--
D
W
A
F
K
Q
T
H
--
S
D
D
-
E
D
-----
L
P
-
A
V
S
---
P
Y
P
---
N
E
K
A
L
--
V
------------
K
---
D
V
T
K
D
Y
----
K
E
A
L
A
T
G
A
---
R
-
K
-
P
T
V
------
L
I
I
G
A
------
L
G
R
C
G
S
G
A
I
D
L
L
-----
H
------
K
V
G
I
P
D
A
N
I
L
K
W
-----
D
------
I
K
E
T
S
R----------
G
G
----------
P
F
D
E
I
P
Q
AD
I
F
I
N
C
I
-
Y
L
--
S
K
---------------------------------------
P
--------
I
A
P
F
T
N
M
E
K
L
----
N
N
----------
P
N
R
R
L
---
R
T
-----------
V
V
D
V
-----------
S
---
A
D
T
T
N
P
H
N
P
I
-
P
-------------
I
Y
T
V
-------------
A
---
T
V
F
-------------
N
K
P
---------------
T
V
------
L
V
P
T
T
------
A
------
G
P
K
L
S
---
V
I
S
I
D
-----
H
--------
L
P
S
L
L
P
R
--
E
A
S
E
F
F
S
-
H
D
L
L
P
S
L
E
------
L
----
L
------
P
---------------------------------------
Q
R
-
K
T
A
P
V
W
V
--
R
--------
A
K
K
-
L
F
D
R
H
C
A
R
V
K
R
S
S
R
L------------------
4
PsiBlast_PDB
55.23
27%
-9
- C2 -
4K5S
2
?
A:
[69-222]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
R
-----
G
L
-
L
D
R
---
F
L
E
---
G
T
Q
V
A
K
G
L
------------
P
---
F
A
G
I
F
T
QGLD
F
G
L
V
D
T
R
H
---
P
-
Y
T
A
L
V
------
P
------------
Q
S
R
T
E
A
L
--
L
-----
A
------
E
H
A
R
E
A
G
A
E
I
R
R
-----
G
------
H
E
V
T
G
-----------
L
R
----------
Q
D
A
E
A
V
E
-------
V
-
T
V
--
A
G
---------------------------------------
P
--------
S
G
P
Y
R
V
R
A
R
Y
AVGC
D
G
----------
G
R
S
T
V
---
R
R
-----------
L
A
G
I
-----------
G
---
F
P
G
T
E
A
T
V
R
A
-
L
-------------
I
G
Y
V
-------------
T
---
T
P
E
-------------
R
E
V
P
--------------
R
R
------
W
E
R
T
P
------
D
------
G
I
L
V
L
---
A
F
P
P
------------------------------------------------------------------------------------------------------------------------------------------------------------
21
SP3
54.58
10%
-54
- C2 -
1GP6
5
LDOX_ARATH
A:
[2-350]
-----------------------------------------V
A
V
E
R
V
E
S
L
A
K
SGIISIPKEY
I
R
P
K
E
E
L
E
---
S
I
-----
N
D
V
F
L
--
E
E
K
----
K
E
D
G
--------
P
----------
Q
V
P
-------------
T
I
D
L
K
N
-
I
E
S
D
D
E
--
K
I
-
R
E
N
C
I
---
E
E
L
K
K
A
S
--
L
D
W
G
V
M
H
--------------
L
I
N
H
---
G
-
I
P
--
A
----------
D
L
M
E
R
V
K
K
A
-------
G
-
E
E
F
F
S
L
S
---------------------
V
E
E
----
K
--
E
K
Y
A
N
D
Q
A
--
T
G
K
-
I
Q
-----
G
Y
-
G
S
K
---
L
A
N
---
N
A
S
G
Q
--
L
------------
E
---
W
E
D
Y
F
F
----
H
L
A
Y
P
E
E
K
---
R
-
D
--------------
L
------
S
I
W
P
K
T
P
S
D
--
Y
I
----
E
------
A
T
S
E
Y
A
K
C
L
R
L
L
-----
A
------
T
K
V
F
K
-----------
A
L
----------
S
V
G
-------------
L
G
--
L
E
---------------------------------------
P
--------
D
---
R
L
E
K
E
V
----
G
G
----------
L
E
E
L
L
---
L
Q
-----------
M
K
I
N
-----------
Y
---
Y
P
K
C
P
Q
P
E
L
A
L
G
-------------
V
E
A
H
-------------
T
---
D
V
S
-------------
A
L
T
F
--------------
I
L
------
H
N
M
V
P
GLQLFY
E
------
G
K
W
V
T
-----
A
K
C
-----
V
--------
P
D
S
I
-----
V
M
H
I
G
D
T
-
L
E
I
L
S
N
G
K
------
Y
----
K
------
S
I
L
H
R
G
L
V
N
KE
K
V
R
I
S
W
A
V
F
C
E
P
PKDK
I
V
L
K
PLPEMVSVE
S
P
-
A
K
F
P
P
R
T
------------
F
A
-
Q
H
I
E
H
K
L
F
G
K
E
Q
E
E
L------------------
5
PsiBlast_PDB
54.45
27%
-17
- C2 -
4K5R
1
?
A:
[69-222]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
R
-----
G
L
-
L
D
R
---
F
L
E
---
G
T
Q
V
A
K
G
L
------------
P
---
F
A
G
I
F
T
QGLD
F
G
L
V
D
T
R
H
---
P
-
Y
T
A
L
V
------
P
------------
Q
S
R
T
E
A
L
--
L
-----
A
------
E
H
A
R
E
A
G
A
E
I
R
R
-----
G
------
H
E
V
T
G
-----------
L
R
----------
Q
D
A
E
A
V
E
-------
V
-
T
V
--
A
G
---------------------------------------
P
--------
S
G
P
Y
R
V
R
A
R
Y
A
V
G
C
D
G
----------
G
R
S
T
V
---
R
R
-----------
L
A
G
I
-----------
G
---
F
P
G
T
E
A
T
V
R
A
-
L
-------------
I
G
Y
V
-------------
T
---
T
P
E
-------------
R
E
V
P
--------------
R
R
------
W
E
R
T
P
------
D
------
G
I
L
V
L
---
A
F
P
P
------------------------------------------------------------------------------------------------------------------------------------------------------------
15
Fugue
52.86
15%
-46
- C2 -
1O4V
-
PURE_THEMA
A:
[14-182]
-----------------------------------------------------------------------------------------------------------------------
P
-------------
R
V
G
I
I
M
-
G
S
D
S
D
L
--
P
V
M
K
Q
A
A
E
---
I
L
E
E
F
G
I
--
D
Y
E
I
T
----------------
I
V
S
A
---
H
R
T
P
--
D
----------
R
M
F
E
Y
A
K
N
--------
A
-
E
-----
E
---------------------
R
G
I
----
E
--
V
I
I
A
G
A
G
G
--
A
A
H
-
L
P
-----
G
M
-
V
A
S
---
I
T
H
---
L
P
V
I
G
--
V
------------
P
V
K
T
S
T
L
N
G
L
----
D
S
L
F
S
I
V
Q
---
M
-
P
-
G
G
V
------
P
V
A
T
V
------
A
I
N
N
A
K
N
A
G
--
I
-----
L
------
A
A
S
I
L
G
I
K
Y
P
E
I
-----
A
------
R
K
V
K
E
------------
Y
----------
K
E
R
M
K
R
E
-------
V
-
L
E
--
K
A
---------------------------------------
Q
--------
R
L
E
Q
I
G
Y
K
E
Y
----
L
N
----------
Q
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
Fugue
47.61
8%
-57
- C2 -
3OKG
-
?
A:
[15-412]
-------------------------------MTEGP
Y
K
L
P
PG
W
R
W
V
R
LGEV
C
L
P
T
E
R
R
D
PTK
N
P
S
T
Y
F
V
Y
---
V
D
-----
I
S
A
I
D
--
S
T
V
----
G
K
I
V
--------
S
----------
P
K
E
-------------
I
L
G
Q
H
A
-
P
S
R
A
R
K
V
I
R
S
-
G
D
V
I
F
---
A
T
T
R
P
Y
L
--
K
N
I
A
L
----------------
V
P
P
D
LDG
Q
I
C
S
--
T
----------
G
F
C
V
I
R
A
N
R
-------
E
-
F
-----
A
E--------------------
P
E
F
----
L
--
F
H
L
C
R
S
D
F
--
I
T
N
Q
L
T
-----
A
S
-
K
M
R
---
G
T
S
---
Y
P
A
V
T
--
D
------------
N
---
D
V
Y
N
T
L
----
I
P
L
P
P
L
E
E
---
Q
-
R
-
R
I
V
------
A
K
V
E
A
------
L
M
E
R
V
R
E
V
R
--
R
-----
L
------
R
A
E
A
Q
K
D
T
E
L
L
M
-----
Q
------
T
A
L
A
E
V
F
PHPGADLPP
G
W
----------
R
W
V
R
L
G
E
-------
V
-
C
D
--
I
I
---------------------------------------
M
--------
G
Q
S
P
P
S
S
T
Y
N
----
F
E
----------
G
N
G
L
P
---
F
F
-----------
Q
G
K
A
-----------
D
---
F
G
D
L
H
P
T
P
R
I
-
W
CSAPQ
K
V
A
R
PG
D
V
L
I
S
V
-------------
R
---
A
P
V
-------------
G
S
T
N
V
A
NLA
C
C
I
G
RG
L
A
A
L
R
------
P
R
D
S
L
------
E
------
R
F
W
L
L
---
Y
Y
L
H
Y
-----
L
--------
E
P
E
L
SKAIT
K
K
D
L
Q
N
V
-
F
I
P
L
P
P
-------------
L
------
E
---------------------------------------
E
Q
-
R
R
I
V
A
Y
L
--
D
--------
Q
I
Q
-
Q
Q
V
A
A
L
K
R
A
Q
A
E
T
E
A
E
L
K
R
L
E
Q
A
I
L
D
K
A
F
R
GDL
22
SP3
44.97
10%
-31
- C2 -
1KNV
-
?
A:
[4-293]
-------------------------------------------------NLTNSNC
V
E
E
Y
K
E
N
G
K
T
K
I
R
I
----------
K
P
F
N
A
--
L
I
E
----
L
Y
H
H
--------
Q
----------
T
----------------------
P
T
G
S
I
K
--
E
N
-
L
D
K
L
E
---
N
Y
V
K
D
V
V
--
K
A
K
G
L
A---------------
I
P
T
S
---
G
A
F
S
--
N
----------
T
R
G
T
W
F
E
V
M
-------
I
-
A
---------------------------
I
Q
S
----
W
--
N
Y
R
V
K
R
E
-----------------------
L
N
D
---
Y
L
I
I
K
--
M
------------
P
---
N
V
K
T
F
D
----
F
R
K
I
F
D
N
E
---
T
-
R
-
E
K
L
------
H
Q
L
E
K
------
S
L
L
T
H
K
-----------
Q
------
Q
V
R
L
I
T
S
N
P
D
L
L
-----
I
------
I
R
Q
K
D
-----------
L
I
----------
K
S
E
Y
N
L
P
-------
I
-
N
K
--
L
T
---------------------------------------
H
--------
E
N
I
D
V
A
L
T
L
F
----
K
D
----------
I
E
G
K
C
KWD
S
L
-----------
V
A
G
V
-----------
G
---
L
K
-
T
S
L
R
P
D
R
-
R
-------------
L
Q
L
V
H
E
G
N
I
L
K
S
L
F
A
H
L
K
---
M
R
Y
-------------
W
------------------
N
------
P
K
A
E
F
--------------
K
Y
Y
G
---
A
S
S
E
P
-----
V
--------
S
K
A
D
-----
D
D
A
L
Q
T
A
A
T
H
T
I
V
N
V
N
------
S
----
T
------
P
---------------------------------------
E
R
-
A
V
D
D
I
F
S
--
L
--------
T
S
F
-
E
D
I
D
K
M
L
D
Q
I
I
K
K
--------------------
23
SP3
44.46
11%
5
- C2 -
1GSO
-
PUR2_ECOLI
A:
[-2-426]
M
K
V
L
V
I
G
N
G
G
R
E
H
A
L
A
W
K
A
A
Q
SPLVE
T
V
F
V
APGN
A
G
T
A
L
EPA
L
Q
N
V
AIGVTD
I
P
A
L
L
D
F
A
Q
N
E
K
I
D
L
T
I
V
---
G
P
-----
E
A
P
L
V
K
G
V
V
D
----
T
F
R
A
--------
A
----------
G
L
K
-----------------
I
F
-
G
P
T
A
G
A
--
A
Q
-
L
E
G
S
K
---
A
F
T
K
D
F
L
--
A
R
H
K
I
P
---------------
T
A
E
Y
---
Q
N
F
T
EV
E
----------
P
A
L
A
Y
L
R
E
K
-------
G
-
A
-----
P
I
V
I
K
AKGVIVAMT
L
E
E
A
E
A
A
V
H
D
M
----
L
--
A
G
N
A
F
G
D
A
--
G
H
---
R
-----
I
V
-
I
E
E
---
F
L
D
G
E
E
A
S
F
I
V
--
M
------------
V
---
D
G
E
H
V
L
----
P
M
A
T
S
Q
D
H
---
K
-
R
-
V
G
D
------
K
--
D
T
------
G
P
N
T
G
G
M
G
A
--
Y
-----
S
------
P
A
P
V
V
T
D
D
V
H
Q
R
-----
T
------
M
E
-
R
I
-----------
I
W
----------
P
T
V
K
G
M
A
-------
A
-
E
G
--
N
T
Y
T
G
F
L
Y
A
G
L
M
I
D
KQG
N
P
K
V
IEFNCRFGD
L
E
T
Q
P
I
M
L
R
MK
S
--------
D
L
V
E
L
C
L
A
A
C
----
E
S
KLDE
K
T
S
E
W
D
E
R
A
S
L
---
G
V
-----------
V
M
A
A
GG---------
Y
---
P
G
D
Y
R
T
G
D
V
I
-
H
-------------
G
L
P
L
-------------
E
---
E
V
A
-------------
G
G
K
V
--------------
F
H
------
A
G
T
K
L
------
A
Q
V
V
T
N
G
G
R
V
L
C
---
V
T
A
L
G
-----
H
----------
T
V
-----
A
E
A
Q
K
R
A
-
Y
A
L
M
--------------------------------------------------------------------
T
D
I
H
--
W
--------
D
D
C
-
F
C
R
K
D
I
G
W
R
A
I
E
R
--------------------
13
Fugue
42.85
14%
-11
- C2 -
1QCZ
-
PURE_ECOLI
A:
[7-168]
-----------------------------------------------------------------------------------------------------------------------
P
-------------
A
R
V
A
I
V
M
G
S
K
S
D
W
--
A
T
M
Q
F
A
A
E
---
I
F
E
I
L
N
V
--
P
H
H
V
E
----------------
V
V
S
A
---
H
R
T
P
--
D
----------
K
L
F
S
F
A
E
S
A
---------------
E
---------------------
E
N
G
----
Y
--
Q
V
I
I
A
G
A
G
--
G
A
A
-
H
L
-----
P
G
M
I
A
A
---
K
T
L
---
V
P
V
L
G
--
V
P
V
----------
Q
---
S
A
A
L
S
G
----
V
D
S
L
Y
S
I
V
---
Q
M
P
-
R
G
I
------
P
V
G
T
L
AI----
G
K
A
G
A
A
N
A
A
--
L
-----
L
------
A
A
Q
I
L
A
T
H
D
K
E
L
-----
H
------
Q
R
L
N
D
-----------
W
R
----------
K
A
Q
T
D
E
V
-------
L
-
E
N
--
P
D
---------------------------------------
P
--------
R
G
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
Fugue
34.32
18%
-15
- C2 -
3F2E
1
?
A:
[8-90]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
T
A
V
---
A
-
E
-
Q
V
S
------
A
V
L
S
Q
Y
-----
G
I
T
G
P
N
R
A
I
--
Y
-----
Q
------
G
F
G
L
K
V
A
R
A
L
N
R
-----
L
GGG
P
A
L
V
N
M
I
N
-----------
G
L
----------
K
A
Y
Y
I
S
A
-------
F
-
N
A
--
N
P
---------------------------------------
T
--------
V
L
D
A
V
T
D
I
I
T
----
G
S
----------
P
T
G
Y
V
---
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
33.81
30%
-20
* C3 *
1PZD
-
A:
[252-299]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
V
K
-------
F
-
L
G
--
M
H
---------------------------------------
P
--------
C
E
R
S
--
D
K
V
P
----
D
N
----------
K
N
T
H
T
---
L
L
-----------
L
A
G
V
-----------
F
---
R
G
G
H
D
I
L
V
R
S
-
R
-------------
L
L
L
L
-------------
D
---
T
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
31.38
26%
-17
- C2 -
2RRK
-
NUDG_ECOLI
A:
[10-63]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
V
-
V
-------------
A
A
I
I
-------------
E
---
R
D
--------------
G
K
I
L
--------------
L
A
------
Q
R
P
A
Q
SD----
Q
------
A
G
L
W
E
---
F
--
A
G
G
K
V
E
P
D
--------
E
S
Q
R
-----
Q
A
L
V
R
E
L
-
R
E
E
L
G
-----------------------------------------------------------------------------------------------------------------------
User Run . : Multi Template Modeling Result:
(2 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.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MGPN
A
V
E
LTTD
Q
A
W
C
L
A
D
V
LGAGSY
P
W
V
L
A
ITPPYSD
H
S
Q
R
S
A
F
L
A
AQSAE
L
T
RMGVVNSAGAV
D
P
R
V
A
Q
W
I
T
T
V
C
RAT
Q
W
L
D
L
R
F
VSG
P
G
D
L
L
R
G
M
V
ARRSE
E
T
V
V
A
L
RN
A
Q
L
V
T
F
T
A
MDIGHQH
A
L
V
P
V
L
T
AGLSGRKPARFDDFALPAAAGAR
A
D
E
Q
IRNGA
P
L
A
E
V
L
E
F
LGVPPS
A
R
P
L
V
E
S
V
FDGR
R
T
Y
V
E
I
V
AGEHRDG
H
R
V
T
T
EV
G
V
S
I
I
DTPH
G
R
I
L
V
H
PTKAFDG
E
W
I
S
T
FTPG
S
A
D
A
I
A
M
A
V
E
R
L
T
A
SLPSGSWFPDQPLTRDF
D
E
D
A
A
T
H
R
E
P
V
L
Q
R
RTQKA
55
79.10
100%
-15
- C- -
M055
-
A:
[4-352]
M
G
P
N
A
V
E
L
T
T
D
Q
A
W
C
L
A
D
V
L
G
A
G
S
Y
P
W
V
L
A
I
T
P
P
Y
S
D
H
S
Q
R
S
A
F
L
A
A
Q
S
A
E
L
T
R
M
G
V
V
N
S
A
G
A
V
D
P
R
V
A
Q
W
I
T
T
V
C
R
A
T
Q
W
L
D
L
R
F
V
S
G
P
G
D
L
L
R
G
M
V
A
R
R
S
E
E
T
V
V
A
L
R
N
A
Q
L
V
T
F
T
A
M
D
I
G
H
Q
H
A
L
V
P
V
L
T
A
G
L
S
G
R
K
P
A
R
F
D
D
F
A
L
P
A
A
A
G
A
R
A
D
E
Q
I
R
N
G
A
P
L
A
E
V
L
E
F
L
G
V
P
P
S
A
R
P
L
V
E
S
V
F
D
G
R
R
T
Y
V
E
I
V
A
G
E
H
R
D
G
H
R
V
T
T
E
V
G
V
S
I
I
D
T
P
H
G
R
I
L
V
H
P
T
K
A
F
D
G
E
W
I
S
T
F
T
P
G
S
A
D
A
I
A
M
A
V
E
R
L
T
A
S
L
P
S
G
S
W
F
P
D
Q
P
L
T
R
D
F
D
E
D
A
A
T
H
R
E
P
V
L
Q
R
R
T
Q
K
A
52
72.83
100%
-11
- C- -
M052
-
A:
[4-352]
M
G
P
N
A
V
E
L
T
T
D
Q
A
W
C
L
A
D
V
L
G
A
G
S
Y
P
W
V
L
A
I
T
P
P
Y
S
D
H
S
Q
R
S
A
F
L
A
A
Q
S
A
E
L
T
R
M
G
V
V
N
S
A
G
A
V
D
P
R
V
A
Q
W
I
T
T
V
C
R
A
T
Q
W
L
D
L
R
F
V
S
G
P
G
D
L
L
R
G
M
V
A
R
R
S
E
E
T
V
V
A
L
R
N
A
Q
L
V
T
F
T
A
M
D
I
G
H
Q
H
A
L
V
P
V
L
T
A
G
L
S
G
R
K
P
A
R
F
D
D
F
A
L
P
A
A
A
G
A
R
A
D
E
Q
I
R
N
G
A
P
L
A
E
V
L
E
F
L
G
V
P
P
S
A
R
P
L
V
E
S
V
F
D
G
R
R
T
Y
V
E
I
V
A
G
E
H
R
D
G
H
R
V
T
T
E
V
G
V
S
I
I
D
T
P
H
G
R
I
L
V
H
P
T
K
A
F
D
G
E
W
I
S
T
F
T
P
G
S
A
D
A
I
A
M
A
V
E
R
L
T
A
S
L
P
S
G
S
W
F
P
D
Q
P
L
T
R
D
F
D
E
D
A
A
T
H
R
E
P
V
L
Q
R
R
T
Q
K
A