@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 : Rv0083: (2016-04-19 )
MTAAPTAGGVVTSGVGVAGVGVGLLGMFGPVRVVHVGWLLPLSGVHIELDRLGGFFMALTGAVAAPVGCYLIGYVRREHLGRVPMAVVPLFVAAMLLVPAAGSVTTFLLAWELMAIASLILVLSEHARPQVRSAGLWYAVMTQLGFIAILVGLVVLAAAGGSDRFAGLGAVCDGVRAAVFMLTLVGFGSKAGLVPLHAWLPRAHPEAPSPVSALMSAAMVNLGIYGIVRFDLQLLGPGPRWWGLALLAVGGTSALYGVLQASVAADLKRLLAYSTTENMGLITLALGAATLFADTGAYGPASIAAAAAMLHMIAHAAFKSLAFMAAGSVLAATGLRDLDLLGGLARRMPATTVFFGVAALGACGLPLGAGFVSEWLLVQSLIHAAPGHDPIVALTTPLAVGVVALATGLSVAAMTKAFGIGFLARPRSTQAEAAREAPASMRAGMAIAAGACLVLAVAPLLVAPMVRRAAATLPAAQAVKFTGLGAVVRLPAMSGSIAPGVIAAAVLAAALAVAVLARWRFRRRPAPARLPLWACGAADLTVRMQYTATSFAEPLQRVFGDVLRPDTDIEVTHTAESRYMAERITYRTAVADAIEQRLYTPVVGAVAAMAELLRRAHTGSVHRYLAYGALGVLIVLVVAR
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......-.430-.....-..440-.........450...-------------...--.460.--......470.......480.......490.......500.......510.-......520.......530.......540---.....--....550.......560.......570.......580.......590.......600.......610.......620.......630.......640---------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
----------------------------MTAAPTAGG
V
V
TSGV
G
V
A
G
V
G
V
G
L
L
-GMFG
P
V
R
V
V
H
V
G
W
L
-LPLS---
G
V
H
I
E
L
--
D
RLG
G
F
F
M
A
L
T
G
A
V
AA
P
V
G
C
Y
L
I
G
Y
V
R
R
E
H
LGRV
P
-
M
A
V
V
--
P
L
F
V
A
A
M
L
LVPAAG
S
V
T
T
F
L
L
A
W
E
L
M
A
I
A
S
L
I
L
V
L
S
EHAR----PQVRSA
G
L
W
Y
A
V
M
T
Q
L
G
F
I
A
I
L
V
G
L
V
V
----
L
AAA-----GG--S--D
R
F
--
A
G
L
-----
G
A
--
V
C
-------
D
G
---------
V
R
-------
A
A
---------
V
F
--
M
L
T
L
V
GFGSKA----GL
V
P
L
H
A
WL----PRAHPEAP
S
P
V
S
A
L
M
-
S
A
A
-
M
V
N
L
G
I
Y
-
G
I
-
V
---
R
--
F
D
L
Q
LLGPGP
R
W
W
G
L
A
L
L
A
-VG
G
T
S
A
L
Y
G
V
L
Q
A
S
V
A
A
D
L
K
R
L
L
A
YSTTEN
M
G
L
I
T
L
ALGA
A
T
LFADTGAYG
P
A
S
I
A
A
A
A
A
M
L
H
M
I
A
H
A
A
F
K
S
L
A
F
M
AA
G
S
V
-
L
A
---A---T-GL
R
D
L
D
L
L
G
G
L
A
RRMP
A
T
T
V
F
F
G
V
A
A
LGACGLPL-
G
-
A
G
F
V
S
--
E
W
L
L
V
Q
S
L
I
HAAPGHD
P
----
I
V
A
LT
T
P
L
A
V
G
V
V
A
L
-
A
TG
L
S
V
---------------------
A
A
M
T
K
A
F
G
-
I
G
F
LARPRS-
T
Q
A
E
-
A
A
R
EA-
P
A
S
---
M
RA
G
M
A
I
A
A
G
A
C
L
V
L
-------------
A
V
A
--
P
L
L
V
A
--
P
M
V
R
R
A
A
ATLPAA
Q
A
V
K
F
TGL
G
A
V
V
RLPAMSGSI
A
P
G
V
I
A
A
A
V
L
A
A
A
L
A
V
-
A
V
L
A
R
W
R
FRRRPAPARL
P
L
W
ACGAA
D
L
-----
T
V
R
M
Q
--YT
A
T
S
F
A
E
P
L
Q
R
V
F
G
D
VLRPDTD
I
E
V
T
HTA
E
S
R
Y
M
A
E
R
I
T
Y
R
T
A
V
A
D
A
I
E
Q
R
LY
T
P
V
V
G
A
V
A
A
M
A
E
L
L
R
R
AHTG
S
V
H
R
Y
L
A
Y
G
A
L
G
V
L
I
V
L
V
VAR-----------------------------------------------
7
HHSearch
95.19
27%
-133
- C3 -
4HE8
1
NQO12_THET8
L:
[55-605]
--------------------------------------------------------------
F
Q
A
E
W
L
-
P
-
G
I
---
P
F
S
L
L
L
--
D
N
L
S
G
F
M
L
L
I
V
T
G
V
G
F
L
I
H
V
Y
A
I
G
Y
M
G
G
D
P
G
Y
S
R
F
-
F
A
Y
F
--
N
L
F
I
A
M
M
L
T
L
V
L
A
D
S
Y
P
V
M
F
I
G
W
E
G
V
G
L
A
S
F
L
L
I
G
F
W
Y
K
N
----
P
Q
Y
A
D
S
A
R
K
A
F
I
V
N
R
I
G
D
L
G
F
M
L
G
M
A
I
----
L
W
A
L
-----
Y
G
--
T
--
L
S
I
--
S
E
L
-----
K
E
--
A
M
EGPLKN-
P
D
---------
L
L
-------
A
L
---------
A
G
--
L
L
L
F
L
G
A
V
G
K
S
----
A
Q
I
P
L
M
V
W
L
----
P
D
A
M
A
-
G
P
T
P
V
S
A
L
I
H
A
A
T
-
M
V
T
A
G
V
Y
-
L
I
-
A
---
R
--
S
S
F
L
Y
S
V
L
--
P
D
V
S
Y
A
I
A
V
-
V
G
L
L
T
A
A
Y
G
A
L
S
A
F
G
Q
T
D
I
K
K
I
V
A
Y
S
T
I
S
Q
L
G
Y
M
F
L
A
A
G
V
G
A
Y
--------------
W
V
A
L
F
H
V
F
T
H
A
F
F
K
A
L
L
F
L
A
S
G
S
V
-
I
H
---
A
---
L
G
G
E
Q
D
V
R
K
M
G
G
L
W
K
H
L
P
Q
T
R
W
H
A
L
I
G
A
L
A
L
G
G
L
P
L
-
L
-
S
G
F
W
S
--
K
D
A
I
L
A
A
T
L
T
Y
P
F
G
G
-----------
V
-
G
F
Y
V
G
A
L
L
-
V
A
V
L
T
A
---------------------
M
Y
A
M
R
W
F
V
-
L
V
F
L
G
E
E
R
G
-
H
H
H
---
P
H
E
A
-
P
P
V
---
M
L
W
P
N
H
L
L
A
L
G
S
V
L
A
-------------
G
Y
L
AL
P
H
P
L
P
--
N
V
L
E
P
F
L
K
P
A
L
A
E
-
V
-
E
A
H
H
L
S
---
L
G
A
----
E
W
G
L
I
A
L
S
A
A
V
A
--
L
L
G
L
W
A
G
F
V
F
F
---
Q
---
R
K
V
F
P
A
W
Y
L
A
F
E
A
A
SREAF
Y
V
D
R
A
--
Y
-
N
A
L
I
V
N
P
L
K
A
L
A
E
A
L
F
Y
G
D
R
G
------------------------
L
-
L
-
S
G
Y
F
G
L
G
G
A
A
R
S
L
G
Q
G
L
A
R
L
Q
T
G
Y
L
R
V
Y
A
L
L
F
V
L
G
A
L
L
L
L
G
V
M
R
-----------------------------------------------
16
Fugue
94.90
23%
-135
- C3 -
3RKO
4
?
B:
[1-612]
MNMLALT
I
I
L
P
L
I
G
F
V
L
L
A
F
S
RGRWS
E
N
V
S
A
I
V
G
V
G
S
V
G
L
A
A
L
V
T
A
F
I
G
V
D
F
F
A
N
G
E
Q
T
Y
S
Q
P
L
W
T
W
M
-
S
V
G
D
F
N
I
G
F
N
L
V
L
--
D
G
L
S
L
T
M
L
S
V
V
T
G
V
G
F
L
I
H
M
Y
A
S
W
Y
M
R
G
E
E
G
Y
S
R
F
-
F
A
Y
T
--
N
L
F
I
A
S
M
V
V
L
V
L
A
D
N
L
L
L
M
Y
L
G
W
E
G
V
G
L
C
S
Y
L
L
I
G
F
Y
Y
T
D
----
P
K
N
G
A
A
A
M
K
A
F
V
V
T
R
V
G
D
V
F
L
A
F
A
L
F
I
----
L
Y
N
E
-----
L
G
--
T
--
L
N
F
--
R
E
M
-----
V
E
--
L
A
-------
P
A
---------
H
F
ADGNN
M
L
M
W
---------
A
T
--
L
M
L
L
G
G
A
V
G
K
S
----
A
Q
L
P
L
Q
T
W
L
----
A
D
A
-
M
A
G
P
T
P
V
S
A
L
I
-
H
A
A
T
M
V
T
A
G
V
Y
-
L
I
-
A
---
R
--
T
-
H
G
L
F
L
M
T
P
E
V
L
H
L
-
V
G
I
-
V
G
A
V
T
L
L
L
A
G
F
A
A
L
V
Q
T
D
I
K
R
V
L
A
Y
S
T
M
S
Q
I
G
Y
M
F
L
A
L
G
V
Q
--------------
A
W
D
A
A
I
F
H
L
M
T
H
A
F
F
K
A
L
L
F
L
A
S
G
S
V
-
I
L
---
A
---
C
H
H
E
Q
N
I
F
K
M
G
G
L
R
K
S
I
P
L
V
Y
L
C
F
L
V
G
G
A
A
L
S
A
L
P
L
-
V
T
A
G
F
F
S
--
K
D
E
I
L
A
G
A
M
----------------
A
N
G
H
I
N
L
M
V
A
G
-
L
V
G
A
F
M
---------------------
T
S
L
Y
-
T
F
R
-
M
I
F
I
V
F
H
G
K
-
E
Q
I
H
-
A
H
A
V
K
-
G
V
T
---
H
S
L
P
L
I
V
L
L
I
L
S
T
F
---------------
V
G
--
A
L
I
V
P
--
P
L
Q
G
V
L
P
Q
T
T
E
L
A
H
G
-------------------
S
M
L
T
L
E
I
T
S
G
V
V
A
V
V
G
-
I
L
L
A
A
W
L
W
L
G
K
R
-----------
T
L
V
T
-----
S
I
A
N
S
--
A
P
G
R
L
L
S
T
W
W
Y
N
A
W
G
----------
F
D
W
L
Y
D
K
V
F
V
K
P
F
L
G
I
A
W
L
L
K
R
D
P
L
N
S
M
M
N
I
P
A
V
L
S
R
F
A
G
K
G
L
L
L
S
E
N
G
Y
L
R
W
Y
V
A
S
M
S
I
G
A
V
V
V
L
A
L
L
M
V
L---------------------------------------------
17
Fugue
83.21
24%
-124
* C3 *
4HE8
1
NQO13_THET8
G:
[1-467]
------------MVVLAVLLPVVFGALL
L
L
G
L
P
R
A
L
G
V
L
G
A
G
L
S
F
L
L
N
L
Y
L
F
L
-
T
H
P
G
G
V
A
H
A
F
Q
A
P
L
-
L
P
G
A
---
G
V
Y
W
A
F
GL
D
G
L
S
A
L
F
F
L
T
I
-
A
L
T
V
F
L
G
A
L
V
A
R
V
E
G
R
------
F
-
L
G
L
A
--
L
L
M
E
G
L
L
L
G
L
F
A
A
R
D
L
L
V
F
Y
V
F
F
E
A
-
A
L
I
P
A
L
L
M
L
Y
L
Y
G
G
----
E
G
R
T
R
A
L
Y
T
F
V
L
F
T
L
V
G
S
L
P
M
L
A
A
V
L
G
----
A
R
L
L
-----
S
G
--
S
--
P
T
F
LL
E
D
L
-----
L
A
HP
L
Q
-------
E
E
---------
A
A
-------
F
W
---------
V
F
--
L
G
F
A
L
A
F
A
I
K
T
----
P
L
F
P
L
H
A
W
L
----
P
P
F
H
Q
E
N
H
P
S
G
L
A
D
A
-
L
G
T
-
L
Y
K
V
G
V
F
-
A
F
-
F
---
R
--
F
A
I
P
L
A
P
E
G
F
A
Q
A
Q
G
L
L
L
F
-
L
A
A
L
S
A
L
Y
G
A
W
V
A
F
A
A
K
D
F
K
T
L
L
A
Y
A
G
L
S
H
M
G
V
A
A
L
G
V
F
S
G
T
-----------
P
E
G
A
M
G
G
L
Y
L
L
A
A
S
G
V
Y
T
G
G
L
F
L
L
A
G
R
L
-
Y
E
---
R
---
T
-
G
T
L
E
I
G
R
Y
R
G
L
A
Q
S
A
P
G
L
A
A
L
A
L
I
L
F
L
A
M
V
G
L
P
G
-
L
-
S
G
F
P
G
--
E
F
L
T
L
L
G
A
Y
K
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
P
W
L
A
A
L
A
F
L
S
V
I
A
S
-
A
A
Y
A
L
T
A
F
Q
K
T
----------------------------------------
F
W
E
E
G
G
S
G
V
K
D
L
----
A
G
A
E
W
G
F
A
L
L
S
V
L
A
L
L
L
M
G
V
F
P
G
Y
F
A
R
G
L
H
P
L
A
E
A
F
A
K
L
L
G
G
------------------------------------------------------------------------
8
HHSearch
79.86
25%
-134
- C3 -
3RKO
4
?
L:
[74-471]
-----------------------------------------------------------------------
N
I
---
G
F
N
L
V
L
--
D
G
L
S
L
T
M
L
S
V
V
T
G
V
G
F
L
I
H
M
Y
A
S
W
Y
M
R
G
E
E
G
Y
S
R
F
-
F
A
Y
T
--
N
L
F
I
A
S
M
V
V
L
V
L
A
D
N
L
L
L
M
Y
L
G
W
E
G
V
G
L
C
S
Y
L
L
I
G
F
Y
Y
T
D
----
P
K
N
G
A
A
A
M
K
A
F
V
V
T
R
V
G
D
V
F
L
A
F
A
L
F
I
----
L
Y
N
E
-----
L
G
--
T
--
L
N
F
--
R
E
M
-----
V
E
--
L
A
PAHFADG
N
N
---------
M
L
-------
M
W
---------
A
T
--
L
M
L
L
G
G
A
V
G
K
S
----
A
Q
L
P
L
Q
T
W
L
----
A
D
A
M
A
-
G
P
T
P
V
S
A
L
I
H
A
A
T
-
M
V
T
A
G
V
Y
-
L
I
-
A
---
R
--
T
H
G
L
F
L
M
T
--
P
E
V
L
H
L
V
G
I
-
V
G
A
V
T
L
L
L
A
G
F
A
A
L
V
Q
T
D
I
K
R
V
L
A
Y
S
T
M
S
Q
I
G
Y
M
F
L
A
L
G
V
Q
A
W
--------------
D
A
A
I
F
H
L
M
T
H
A
F
F
K
A
L
L
F
L
A
S
G
S
V
-
I
L
---
A
---
C
H
H
E
Q
N
I
F
K
M
G
G
L
R
K
S
I
P
L
V
Y
L
C
F
L
V
G
G
A
A
L
S
A
L
P
L
V
T
-
A
G
F
F
S
--
K
D
E
I
L
A
G
A
M
A
N
G
H
I
N
--------------
L
M
V
A
G
L
V
-
G
A
F
M
T
S
---------------------
L
Y
T
F
R
M
I
F
-
I
V
F
H
G
K
E
Q
I
-
H
A
H
----
A
V
K
-
G
V
T
---
H
S
L
P
L
I
V
L
L
I
L
S
T
F
V
-------------
G
A
L
--
I
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
HHSearch
78.87
26%
-128
- C3 -
4HE8
1
NQO14_THET8
N:
[51-424]
-----------------------------------------------------------------------------
G
P
Y
A
V
--
D
G
V
S
Q
V
F
T
L
L
A
L
L
G
----
A
L
W
T
V
G
L
V
R
S
G
R
--
F
E
F
-
Y
L
L
V
--
L
Y
A
A
L
G
M
H
L
L
A
S
T
R
H
L
L
L
M
L
V
A
L
E
A
L
S
L
P
L
Y
A
L
A
T
W
R
--
R
----
G
Q
G
L
E
A
A
L
K
Y
F
L
L
G
A
L
A
A
A
F
F
L
Y
G
A
A
L
----
F
Y
G
A
-----
T
G
--
S
--
L
V
L
--
G
A
P
-----
G
E
-----------
G
P
---------
L
Y
-------
A
L
---------
A
L
--
G
L
L
L
V
G
L
G
F
K
A
----
A
L
A
P
F
H
F
W
T
----
P
D
V
Y
Q
G
S
P
T
P
V
V
L
F
M
-
A
T
S
--
V
K
A
A
A
F
A
A
L
-
L
---
R
--
V
A
A
P
---------
P
E
A
L
A
L
-
L
V
A
L
S
V
V
V
G
N
L
A
A
L
A
Q
K
E
A
K
R
L
L
A
Y
S
S
I
A
H
A
G
Y
M
A
L
A
L
Y
T
G
N
A
--------------
Q
A
L
G
F
Y
L
L
T
Y
V
L
A
T
G
L
A
F
A
V
L
S
Q
I
-
S
--------
P
-
D
R
V
P
L
E
A
L
R
G
L
Y
R
K
D
P
L
L
G
L
A
F
L
V
A
M
L
S
L
L
G
L
P
P
-
L
-
A
G
F
W
G
--
K
Y
L
A
F
A
E
A
A
R
A
G
A
W
G
--------------
V
L
V
L
A
L
V
-
T
S
A
V
S
A
---------------------
Y
Y
Y
L
G
L
G
L
-
A
V
F
A
R
P
E
E
T
-
P
-----
F
R
P
G
-
P
P
W
---
A
R
A
A
V
V
A
A
G
V
L
L
L
A
L
-------------
G
L
L
--
P
G
L
V
L
--
P
A
L
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
HHSearch
78.61
21%
-128
- C3 -
3RKO
4
?
N:
[62-481]
-----------------------------------------------------------------------
D
V
---
T
P
L
M
R
V
--
D
G
F
A
M
L
Y
T
G
L
V
L
L
A
S
L
A
T
C
T
F
A
Y
P
W
L
E
G
Y
N
D
N
K
D
E
F
Y
L
L
V
--
L
I
A
A
L
G
G
I
L
L
A
N
A
N
H
L
A
S
L
F
L
G
I
E
L
I
S
L
P
L
F
G
L
V
G
Y
A
F
R
Q
----
K
R
S
L
E
A
S
I
K
Y
T
I
L
S
A
A
A
S
S
F
L
L
F
G
M
A
L
----
V
Y
A
Q
-----
S
G
--
D
--
L
S
F
--
V
A
L
-----
G
K
----N------
E
P
---------
L
L
-------
L
A
---------
G
F
--
G
L
M
I
V
G
L
G
F
K
L
----
S
L
V
P
F
H
L
W
T
----
P
D
V
Y
Q
G
A
P
A
P
V
S
T
F
L
-
A
T
A
--
S
K
I
A
I
F
-
G
V
V
M
---
R
--
L
F
L
Y
A
P
V
G
D
S
E
A
I
R
V
V
L
A
I
-
I
A
F
A
S
I
I
F
G
N
L
M
A
L
S
Q
T
N
I
K
R
L
L
G
Y
S
S
I
S
H
L
G
Y
L
L
V
A
L
I
A
L
Q
T
G
---------
E
M
S
M
E
A
V
G
V
Y
L
A
G
Y
L
F
S
S
L
G
A
F
G
V
V
S
L
M
-
S
S
PYR
G
---
P
-
D
A
D
S
L
F
S
Y
R
G
L
F
W
H
R
P
I
L
A
A
V
M
T
V
M
M
L
S
L
A
G
I
P
M
-
T
-
L
G
F
I
G
--
K
F
Y
V
L
A
V
G
V
Q
A
H
L
W
W
--------------
L
V
G
A
V
V
V
-
G
S
A
I
G
L
---------------------
Y
Y
Y
L
R
V
A
V
-
S
L
Y
L
H
A
P
E
Q
-
P
--------
S
-
N
W
Q
YSA
G
G
I
V
V
L
I
S
A
L
L
V
L
V
L
-------------
G
V
W
--
P
Q
P
L
I
--
S
I
V
R
L
A
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
HHSearch
77.20
24%
-124
- C3 -
4HE8
1
NQO13_THET8
M:
[52-460]
---------------------------------------------------------------
Q
A
P
L
L
P
G
A
G
V
---
Y
W
A
F
G
L
--
D
G
L
S
A
L
F
F
L
T
I
A
L
T
V
F
L
G
A
L
V
A
----
R
-
V
--
E
G
R
F
-
L
G
L
A
--
L
L
M
E
G
L
L
L
G
L
F
A
A
R
D
L
L
V
F
Y
V
F
F
E
A
A
L
I
P
A
L
L
M
L
Y
L
Y
G
-
G
----
E
G
R
T
R
A
L
Y
T
F
V
L
F
T
L
V
G
S
L
P
M
L
A
A
V
L
G
----
A
R
L
L
-----
S
G
--
S
PT
F
L
L
--
E
D
L
-----
L
A
--
H
P
LQ-----
E
E
---------
A
A
-------
F
W
---------
V
F
--
L
G
F
A
L
A
F
A
I
K
T
----
P
L
F
P
L
H
A
W
L
----
P
P
F
H
Q
E
N
H
P
S
G
L
A
D
A
-
L
G
T
-
L
Y
K
V
G
V
F
-
A
F
-
F
---
R
--
F
A
I
P
L
A
P
E
G
F
A
Q
A
Q
G
L
L
L
F
-
L
A
A
L
S
A
L
Y
G
A
W
V
A
F
A
A
K
D
F
K
T
L
L
A
Y
A
G
L
S
H
M
G
V
A
A
L
G
V
F
S
G
T
P
-----------
E
G
A
M
G
G
L
Y
L
L
A
A
S
G
V
Y
T
G
G
L
F
L
L
A
G
R
L
-
Y
E
---
R
---
T
-
G
T
L
E
I
G
R
Y
R
G
L
A
Q
S
A
P
G
L
A
A
L
A
L
I
L
F
L
A
M
V
G
L
P
G
-
L
-
S
G
F
P
G
--
E
F
L
T
L
L
G
A
Y
K
A
S
P
W
---------------
L
A
A
L
A
F
L
-
S
V
I
A
S
A
---------------------
A
Y
A
L
T
A
F
Q
-
K
T
F
W
E
E
G
G
S
-
G
V
K
D
--
L
----
A
G
A
---
E
W
G
F
A
L
L
S
V
L
A
L
L
L
M
-------------
G
V
F
--
P
G
Y
F
A
--
R
G
L
H
P
L
A
E
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
HHSearch
75.65
20%
-122
- C3 -
3RKO
5
?
M:
[76-495]
-----------------------------------------------------------------------
G
I
---
S
I
H
L
A
I
--
D
G
L
S
L
L
M
V
V
L
T
G
L
L
G
V
L
A
V
L
C
S
W
K
E
I
E
K
Y
Q
--
G
F
F
-
H
L
N
L
--
M
W
I
L
G
G
V
I
G
V
F
L
A
I
D
M
F
L
F
F
F
F
W
E
M
M
L
V
P
M
Y
F
L
I
A
L
W
G
H
K
ASDG
K
T
R
I
T
A
A
T
K
F
F
I
Y
T
Q
A
S
G
L
V
M
L
I
A
I
L
A
LVFV
H
Y
N
A
-----
T
G
VW
T
--
F
N
Y
--
E
E
L
-----
L
N
--
T
P
MS-----
S
G
---------
V
E
-------
Y
L
---------
L
M
--
L
G
F
F
I
A
F
A
V
K
M
----
P
V
V
P
L
H
G
W
L
----
P
D
A
H
S
Q
A
P
T
A
G
S
V
D
L
-
A
G
I
-
L
L
K
T
A
A
Y
-
G
L
-
L
---
R
--
F
S
L
P
L
F
P
N
A
S
A
E
F
A
P
I
A
M
W
-
L
G
V
I
G
I
F
Y
G
A
W
M
A
F
A
Q
T
D
I
K
R
L
I
A
Y
T
S
V
S
H
M
G
F
V
L
I
A
I
Y
T
G
S
Q
-----------
L
A
Y
Q
G
A
V
I
Q
M
I
A
H
G
L
S
A
A
G
L
F
I
L
C
G
Q
L
-
Y
E
---
R
---
I
-
H
T
R
D
M
R
M
M
G
G
L
W
S
K
M
K
W
L
P
A
L
S
L
F
F
A
V
A
T
L
G
M
P
G
-
T
-
G
N
F
V
G
--
E
F
M
I
L
F
G
S
F
Q
V
V
P
V
---------------
I
T
V
I
S
T
F
-
G
L
V
F
A
S
---------------------
V
Y
S
L
A
M
L
H
-
R
A
Y
F
G
K
A
K
S
-
Q
I
A
S
Q
E
L
P
G
M
-
S
L
R
---
E
L
F
M
I
L
L
L
V
V
L
L
V
L
L
-------------
G
F
Y
--
P
Q
P
I
L
--
D
T
S
H
S
A
I
G
N
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
75.20
31%
-139
- C3 -
4HE8
1
NQO12_THET8
L:
[69-362]
---------------------------------------------------------------------------------
L
--
D
N
L
S
G
F
M
L
L
I
V
T
G
V
G
F
L
I
H
V
Y
A
I
G
Y
M
G
G
D
P
G
Y
S
R
F
-
F
A
Y
F
--
N
L
F
I
A
M
M
L
T
L
V
L
A
D
S
Y
P
V
M
F
I
G
W
E
G
V
G
L
A
S
F
L
L
I
G
F
W
Y
K
N
----
P
Q
Y
A
D
S
A
R
K
A
F
I
V
N
R
I
G
D
L
G
F
M
L
G
M
A
I
----
L
W
A
L
-----
Y
G
--
T
--
L
S
I
--
S
E
L
-----
K
E
--
A
M
-------
E
G
PLKNPDLLA
L
A
-------
G
L
---------
L
L
--
F
L
G
A
V
G
---
K
S
----
A
Q
I
P
L
M
V
W
L
----
P
D
A
M
-
A
G
P
T
P
V
S
A
L
I
-
H
A
A
T
M
V
T
A
G
V
Y
-
L
I
-
A
---
R
SS
F
L
Y
S
V
L
-
P
D
V
S
Y
---
A
I
A
V
-
V
G
L
L
T
A
A
Y
G
A
L
S
A
F
G
Q
T
D
I
K
K
I
V
A
Y
S
T
I
S
Q
L
G
Y
M
F
L
A
A
G
-------
V
G
A
Y
-------
W
V
A
L
F
H
V
F
T
H
A
F
F
K
A
L
L
F
L
A
S
G
S
V
-
I
H
---
A
---
L
G
G
E
Q
D
V
R
K
M
G
G
L
W
K
H
L
P
Q
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_CBE
75.09
31%
-139
- C3 -
4HE8
1
NQO12_THET8
F:
[69-362]
---------------------------------------------------------------------------------
L
--
D
N
L
S
G
F
M
L
L
I
V
T
G
V
G
F
L
I
H
V
Y
A
I
G
Y
M
G
G
D
P
G
Y
S
R
F
-
F
A
Y
F
--
N
L
F
I
A
M
M
L
T
L
V
L
A
D
S
Y
P
V
M
F
I
G
W
E
G
V
G
L
A
S
F
L
L
I
G
F
W
Y
K
N
----
P
Q
Y
A
D
S
A
R
K
A
F
I
V
N
R
I
G
D
L
G
F
M
L
G
M
A
I
----
L
W
A
L
-----
Y
G
--
T
--
L
S
I
--
S
E
L
-----
K
E
--
A
M
-------
E
G
PLKNPDLLA
L
A
-------
G
L
---------
L
L
--
F
L
G
A
V
G
---
K
S
----
A
Q
I
P
L
M
V
W
L
----
P
D
A
M
-
A
G
P
T
P
V
S
A
L
I
-
H
A
A
T
M
V
T
A
G
V
Y
-
L
I
-
A
---
R
SS
F
L
Y
S
V
L
-
P
D
V
S
Y
---
A
I
A
V
-
V
G
L
L
T
A
A
Y
G
A
L
S
A
F
G
Q
T
D
I
K
K
I
V
A
Y
S
T
I
S
Q
L
G
Y
M
F
L
A
A
G
-------
V
G
A
Y
-------
W
V
A
L
F
H
V
F
T
H
A
F
F
K
A
L
L
F
L
A
S
G
S
V
-
I
H
---
A
---
L
G
G
E
Q
D
V
R
K
M
G
G
L
W
K
H
L
P
Q
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
74.53
31%
-134
- C3 -
4HEA
-
NQO12_THET8
L:
[69-362]
---------------------------------------------------------------------------------
L
--
D
N
L
S
G
F
M
L
L
I
V
T
G
V
G
F
L
I
H
V
Y
A
I
G
Y
M
G
G
D
P
G
Y
S
R
F
-
F
A
Y
F
--
N
L
F
I
A
M
M
L
T
L
V
L
A
D
S
Y
P
V
M
F
I
G
W
E
G
V
G
L
A
S
F
L
L
I
G
F
W
Y
K
N
----
P
Q
Y
A
D
S
A
R
K
A
F
I
V
N
R
I
G
D
L
G
F
M
L
G
M
A
I
----
L
W
A
L
-----
Y
G
--
T
--
L
S
I
--
S
E
L
-----
K
E
--
A
M
-------
E
G
PLKNPDLLA
L
A
-------
G
L
---------
L
L
--
F
L
G
A
V
G
---
K
S
----
A
Q
I
P
L
M
V
W
L
----
P
D
A
M
-
A
G
P
T
P
V
S
A
L
I
-
H
A
A
T
M
V
T
A
G
V
Y
-
L
I
-
A
---
R
SS
F
L
Y
S
V
L
-
P
D
V
S
Y
---
A
I
A
V
-
V
G
L
L
T
A
A
Y
G
A
L
S
A
F
G
Q
T
D
I
K
K
I
V
A
Y
S
T
I
S
Q
L
G
Y
M
F
L
A
A
G
-------
V
G
A
Y
-------
W
V
A
L
F
H
V
F
T
H
A
F
F
K
A
L
L
F
L
A
S
G
S
V
-
I
H
---
A
---
L
G
G
E
Q
D
V
R
K
M
G
G
L
W
K
H
L
P
Q
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
73.58
30%
-129
- C3 -
3RKO
4
?
L:
[76-399]
----------------------------------------------------------------------------
G
F
N
L
V
L
--
D
G
L
S
L
T
M
L
S
V
V
T
G
V
G
F
L
I
H
M
Y
A
S
W
Y
M
R
G
E
E
G
Y
S
R
F
-
F
A
Y
T
--
N
L
F
I
A
S
M
V
V
L
V
L
A
D
N
L
L
L
M
Y
L
G
W
E
G
V
G
L
C
S
Y
L
L
I
G
F
Y
Y
T
D
----
P
K
N
G
A
A
A
M
K
A
F
V
V
T
R
V
G
D
V
F
L
A
F
A
L
F
I
----
L
Y
N
E
-----
L
G
--
T
--
L
N
F
--
R
E
M
VELAP
A
H
--
F
A
-------
D
G
---------
N
N
-------
M
L
---------
M
W
AT
L
M
L
L
G
G
A
V
G
K
S
----
A
Q
L
P
L
Q
T
W
L
----
A
D
A
M
A
-
G
P
T
P
V
S
A
L
I
-
H
A
A
T
M
V
T
A
G
V
Y
-
L
I
-
A
---
R
T-
H
G
L
F
L
M
T
P
E
V
----
L
H
L
V
G
I
V
G
A
V
T
L
L
L
A
G
F
A
A
L
V
Q
T
D
I
K
R
V
L
A
Y
S
T
M
S
Q
I
G
Y
M
F
L
A
L
G
V
Q
--------------
A
W
D
A
A
I
F
H
L
M
T
H
A
F
F
K
A
L
L
F
L
A
S
G
S
V
I
L
A
---
C
---
H
-
H
E
Q
N
I
F
K
M
G
G
L
R
K
S
I
P
L
V
Y
L
C
F
L
V
G
G
A
A
L
S
A
L
P
L
V
T
-
A
G
F
F
S
--
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
Fugue
46.10
9%
-104
- C1 -
1Z1W
2
TRF3_THEAC
A:
[1-780]
----MEVEKYD
L
T
L
D
F
DIQKR
T
F
N
G
T
E
T
I
T
A
D
A
G
D
I
V
L
D
A
V
G
L
Q
I
N
W
M
K
V
N
G
R
-
D
T
A
F
T
Y
D
G
Q
T
V
R
A
P
-
G
D
S
Q
---
P
Q
K
I
E
I
--
S
F
A
G
K
V
S
D
S
L
S
G
I
Y
Y
A
G
R
E
N
G
M
I
T
T
H
F
E
A
T
D
A
R
R
M
-
F
P
C
V
DH
P
A
Y
K
A
V
F
A
I
T
V
V
I
D
K
D
Y
D
A
I
S
N
M
P
P
K
R
I
E
V
S
E
R
K
V
V
E
F
Q
D
----
T
P
R
M
S
T
Y
L
L
Y
V
G
I
G
K
F
R
Y
E
Y
E
K
Y
R
D
I
D
----
L
I
L
A
S
LKDI
R
S
--
K
--
Y
P
L
--
D
M
A
-----
R
K
--
S
V
-------
E
F
---------
Y
E
-------
N
Y
F
GIPYALPK
M
H
--
L
I
S
V
P
E
F
G
A
G
A
MENW
G
A
I
T
F
R
E
I
Y
M
D
IA
E
N
S
A
V
T
V
K
R
N
S
A
N
V
I
-
A
H
E
-
I
A
H
Q
W
F
G
-
D
L
-
V
TMK
W
--
W
N
D
L
W
L
N
E
S
F
A
T
F
-
M
S
Y
K
T
-
M
D
T
L
F
P
E
W
S
F
W
G
D
F
F
V
S
R
T
S
G
A
L
R
S
D
S
L
K
N
T
H
P
I
E
V
D
V
R
D
P
D
--
E
I
S
Q
I
F
D
E
I
S
Y
G
K
G
A
S
I
L
R
M
I
E
D
Y
A
G
Y
E
E
F
R
K
G
I
S
K
Y
-
L
N
---
D
H
KF
G
-
N
A
E
G
S
D
L
W
T
A
I
E
D
V
S
G
K
P
V
K
R
V
M
E
Y
W
I
K
N
P
G
Y
P
V
-
I
-
K
L
K
R
N
G
R
K
I
T
M
Y
Q
T
R
F
L
L
N
G
E
E
E
G
RWPV
P
V
N
I
K
K
K
D
G
V
E
R
I
L
L
-
E
D
E
A
S
I
EADGLIKINADSAGF
Y
R
V
L
Y
D
D
A
T
F
S
D
V
M
-
G
H
Y
R
D
L
S
P
L
-
D
R
I
G
-
L
V
D
D
L
-
F
A
F
---
L
L
S
G
H
I
D
P
E
T
Y
R
Q
R
I
R
N
F
F
DDED
H
N
V
I
T
A
I
V
--
G
Q
M
E
Y
L
R
M
L
T
H
A
F
D
D
D
A
R
A
F
C
R
S
R
M
Q
F
L
T
G
K
Q
D
E
N
L
K
I
A
L
G
R
V
S
R
L
Y
V
M
V
D
E
S
Y
A
E
E
-
M
S
K
L
F
K
D
F
D
S
A
E
P
E
M
R
S
S
I
A
T
A
Y
A
L
V
T
-----
G
D
L
K
G
--
L
L
E
K
F
R
S
V
D
R
D
E
D
R
V
R
I
I
S
A
F
G
K
L
K
S
N
T
D
L
S
T
V
Y
G
M
V
E
K
T
E
I
K
K
Q
D
M
I
S
F
F
S
S
A
L
E
T
L
P
G
R
E
F
I
F
A
N
L
D
R
I
I
R
L
V
I
R
Y
F
T
G
N
R
T
A
S
R
T
V
E
M
M
I
P
V
IGLDHPD
A
E
D
I
V
R
NIGS
K
N
I
S
M
G
L
A
K
G
I
E
M
L
A
V
N
R
K
L
V
E
R
I
R
Q
T
AVK
4
PsiBlast_PDB
42.86
25%
-62
* C4 *
3HG7
1
?
A:
[150-293]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
I
G
Q
H
I
---------------------
A
H
T
G
K
H
F
G
-
M
K
V
L
G
V
S
R
S
-
G
R
E
R
-
A
G
F
D
Q
-
V
Y
Q
---
L
P
A
L
N
K
M
L
A
Q
A
D
V
I
V
-------------
S
V
L
--
P
--------
A
T
R
E
T
H
H
L
F
T
A
S
R
F
E
H
C
K
P
G
A
I
L
F
N
V
G
R
G
N
A
I
N
E
G
D
L
L
T
A
L
R
T
G
K
L
G
M
-
A
V
L
D
V
--
F
E
Q
E
P
L
P
A
D
S
P
L
W
--
G
Q
P
N
L
-----
I
I
T
P
H
--
N
S
A
Y
S
F
P
D
D
V
A
Q
I
F
--------------------------------------------------------------------------------------------------------------------------------
25
Fugue
40.00
30%
-98
- C3 -
2DST
-
?
A:
[2-123]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
R
A
G
Y
L
H
L
Y
G
L
N
L
V
F
D
R
V
G
K
G
P
P
V
----
L
L
V
A
-----
E
E
--
A
--
S
R
W
--
P
E
-------
A
--
L
P
-------
E
G
------------------
Y
A
---------
F
Y
--
L
L
D
L
P
G
Y
G
R
T
E
----
G
------------
P
R
M
A
P
E
E
L
A
H
F
V
A
G
F
-
A
V
M
-
M
N
L
G
A
P
W
-
V
L
-
L
---
R
--
G
L
G
L
A
L
G
P
H
L
E
A
L
G
L
R
A
L
P
-
A
E
G
V
E
---------
V
A
E
V
L
S
S
K
L
S
Y
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
Fugue
37.20
23%
-30
- C3 -
4HLB
1
?
A:
[21-115]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
S
D
R
----
F
T
A
F
E
E
E
L
L
A
R
Y
A
D
K
G
I
R
S
V
D
V
---------------------
A
A
Y
A
K
G
I
D
-
I
V
F
V
A
A
D
R
K
M
T
R
A
E
-
F
S
A
I
A
-
S
R
S
---
I
R
E
-
L
K
E
R
F
G
F
D
K
D
V
-------------
P
I
G
--
A
V
L
D
Y
--
K
--
K
D
A
A
T
D
T
R
T
R
F
V
L
K
L
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
HHSearch
33.39
21%
-10
- C3 -
3RKO
-
NUOK_ECOBD
K:
[11-49]
--------------------------------------------------------------------------------------------------------------------------
A
A
--
I
L
F
V
L
G
L
T
G
L
V
I
R
R
N
L
L
F
M
L
I
G
L
E
I
M
I
N
A
S
A
L
A
F
V
V
A
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
HHSearch
31.37
21%
9
- C3 -
4HE8
-
NQO11_THET8
K:
[8-45]
---------------------------------------------------------------------------------------------------------------------------
A
--
L
L
F
A
L
G
V
Y
G
V
L
T
R
R
T
A
I
L
V
F
L
S
I
E
L
M
L
N
A
A
N
L
S
L
V
G
F
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
Fugue
24.90
23%
192
- C3 -
1PFI
1
CAPSD_BPPF1
A:
[1-46]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
V
I
D
T
S
-
A
V
E
S
-
A
I
T
D
G
-
Q
G
D
---
M
K
A
I
G
G
Y
I
V
G
A
L
V
I
L
-------------
A
V
A
--
G
L
I
Y
S
--
M
L
R
K
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
Fugue
24.77
11%
-52
- C2 -
4WIK
-
SFPQ_HUMAN
A:
[370-597]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
A
A
L
S
V
R
N
L
-
S
P
Y
V
S
N
---------------------
E
L
L
E
E
A
F
S
Q
F
G
P
I
E
R
A
V
V
-
I
V
D
D
-
R
G
R
S
T
G
K
G
I
---
V
E
F
A
S
K
P
A
A
R
K
A
F
E
R
-------------
C
S
E
--
G
V
F
L
L
--
T
T
T
P
R
P
V
I
V
E
P
L
E
Q
L
D
D
E
D
G
L
P
E
K
L
A
Q
K
N
P
M
Y
Q
K
E
R
E
T
P
P
R
F
A
Q
H
G
T
F
E
Y
-
E
Y
S
Q
R
W
K
S
L
D
E
M
E
K
Q
Q
R
E
Q
V
E
K
N
M
K
D
A
-----
K
D
K
L
E
S
E
M
E
D
A
Y
H
E
H
Q
A
N
L
L
R
Q
D
L
M
R
R
Q
E
E
L
R
R
M
E
E
L
H
N
Q
E
M
Q
K
R
K
E
M
Q
L
R
Q
E
E
E
R
R
R
R
E
E
E
M
M
I
R
Q
R
E
M
E
E
Q
M
R
R
Q
R
E
E
S
Y
-------------------------------------------------------------------