@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 : jhp_0516: (2015-12-16 )
MGLSVGIVGLPNVGKSSTFNALTKTQNAQSANYPFCTIEPNKAIVNVPDRRLDALAQIVKPERILHSVVEFVDIAGLIKGASKGEGLGNQFLANIKECEVILQVVRCFEDDNITHVNDKIDPLNDIETIELELILADIATLDKRIDRLQKALKSSKDAKNLLECALSLKTHLEELKPAKTFPLNTSEAFLELDKELRFLSHKKMIYVANVGEEDLNILNEHAKKVENHAKVQNSEFVALCAKLEEEMVSMSGDEVKEFLQSLGVEESGLEKTIRLSFKELGLINYFTAGVKEVRSWTIKKGSSAPVAAGVIHKDFEKGFIRAETISYDDFIAYKGEAGAKEKGALRIEGKDYIVQDGDVLHFRFNV
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....-----------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----MGL
S
V
G
IVGLPNVGKSSTF
N
A
L
TKTQNAQSANY
P
F
C
T
IEPN
K
A
I
VNV
P
D
R
R
L
D
A
L
A
Q
-
I
V
K
----
P
-
E
R
I
L
H
S
V
---
V
E
F
V
D
I
A
G
L
I------KGAS--K---GE--G
L
G
N
---
Q
F
L
A
N
I
K
E
C
E
V
I
L
Q
V
V
R
C
FEDDNITHVNDKIDPLND
I
E
T
I
E
L
E
L
I
L
A
D
I
A
T
L
D
K
-------
R
I
D
R
L
-
Q
K
---------
A
L
KS--S----K
D
A
K
N
L
L
E
C
A
L
S
L
K
T
H
L
E
-ELKPAKTFPLN--
T
S
E
A
F
L
E
L
D
K
E
L
R
F
LSHK
K
M
I
Y
V
A
NVG
E
E
D
-
L
--
N
I
L
--
N
E
H
A
K
K
V
E
N
-
H
A--KVQN
S
E
---
F
V
A
L
C
A
K
L
E
E
E
M
V
SMS
G
D
E
V
K
E
F
L
Q
SL--GVEESGL
E
K
T
I
R
L
S
F
K
EL
G
L
I
N
Y
F
T
A
G
V
K
E
V
R
S
W
T
IKKGSSAPV
A
A
G
V
I
H
K
D
F
EK--G
F
I
R
A
E
TISYD
D
F
---
I
A
YKGEAGAKEK
G
A
L
R
IEG
K
D
Y
I
VQDG
D
V
L
H
F
R
FNV-----------------------------------
1
PsiBlast_PDB
94.07
55%
-83
- C8 -
1JAL
-
YCHF_HAEIN
A:
[1-363]
-----
M
G
F
K
C
G
I
V
G
L
P
N
V
G
K
S
T
L
F
N
A
L
T
K
A
-
G
------
P
F
C
T
I
E
P
N
T
G
V
V
P
M
P
D
P
R
L
D
A
L
A
E
-
I
V
K
----
P
-
E
R
I
L
P
T
T
---
M
E
F
V
D
I
A
G
L
V
------
A
G
A
S
--
K
---
G
E
--
G
L
G
N
---
K
F
L
A
N
I
R
E
T
D
A
I
G
H
V
V
R
C
F
E
N
---------
I
D
P
L
D
D
I
D
T
I
N
T
E
L
A
L
A
D
L
D
S
C
E
R
-------
A
I
Q
R
L
-
Q
K
---------
R
A
K
G
--
G
D---
K
E
A
K
F
E
L
S
V
M
E
K
I
L
P
V
L
E
-
N
A
G
M
I
R
S
V
G
L
D
--
K
E
E
--
L
Q
A
I
K
S
Y
N
F
L
T
L
K
P
T
M
Y
I
A
N
V
N
E
D
G
-
F
--
E
-
N
--
N
P
Y
L
D
R
V
R
E
-
I
A
--
A
K
E
G
A
V
---
V
V
P
V
C
A
A
I
E
S
E
I
A
E
L
D
D
E
E
K
V
E
F
L
Q
D
L
--
G
I
E
E
P
G
L
N
R
V
I
R
A
G
Y
A
L
L
N
L
Q
T
Y
F
T
A
G
V
K
E
V
R
A
W
T
V
S
V
G
A
T
A
P
K
A
A
A
V
I
H
T
D
F
E
K
--
G
F
I
R
A
E
V
I
A
Y
E
D
F
---
I
Q
F
N
G
E
N
G
A
K
E
A
G
K
W
R
L
E
G
K
D
Y
I
V
Q
D
G
D
V
M
H
F
R
F
N
V
-----------------------------------
69
HHSearch
94.03
56%
-85
- C8 -
1JAL
-
YCHF_HAEIN
A:
[3-363]
-------
F
K
C
G
I
V
G
L
P
N
V
G
K
S
T
L
F
N
A
L
T
K
-
A
G
------
P
F
C
T
I
E
P
N
T
G
V
V
P
M
P
D
P
R
L
D
A
L
A
E
-
I
V
K
----
P
-
E
R
I
L
P
T
T
---
M
E
F
V
D
I
A
G
L
V
------
A
G
A
S
--
K
---
G
E
--
G
L
G
N
---
K
F
L
A
N
I
R
E
T
D
A
I
G
H
V
V
R
C
F
E
N
---------
I
D
P
L
D
D
I
D
T
I
N
T
E
L
A
L
A
D
L
D
S
C
E
R
-------
A
I
Q
R
L
-
Q
K
---------
R
A
K
G
G-
D
----
K
E
A
K
F
E
L
S
V
M
E
K
I
L
P
V
L
E
-
N
A
G
M
I
R
S
V
G
L
D
--
K
E
E
L
--
Q
A
I
K
S
Y
N
F
L
T
L
K
P
T
M
Y
I
A
N
V
N
E
D
G
-
F
--
E
N
N
---
P
Y
L
D
R
V
R
E
I
A
A
--
K
E
-
G
A
V
---
V
V
P
V
C
A
A
I
E
S
E
I
A
E
L
D
D
E
E
K
V
E
F
L
Q
D
L
--
G
I
E
E
P
G
L
N
R
V
I
R
A
G
Y
A
L
L
N
L
Q
T
Y
F
T
A
G
V
K
E
V
R
A
W
T
V
S
V
G
A
T
A
P
K
A
A
A
V
I
H
T
D
F
E
K
--
G
F
I
R
A
E
V
I
A
Y
E
D
F
---
I
Q
F
N
G
E
N
G
A
K
E
A
G
K
W
R
L
E
G
K
D
Y
I
V
Q
D
G
D
V
M
H
F
R
F
N
V
-----------------------------------
3
PsiBlast_PDB
91.97
51%
-79
- C8 -
2DBY
4
?
A:
[2-366]
-------
L
A
V
G
I
V
G
L
P
N
V
G
K
S
T
L
F
N
A
L
T
R
A
-
N
A
L
A
A
N
Y
P
F
A
T
I
D
K
N
V
G
V
V
P
L
E
D
E
R
L
Y
A
L
Q
R
T
F
A
K
----
G
-
E
R
V
P
P
V
V
P
T
H
V
E
F
V
D
I
A
G
L
V
------
K
G
A
H
--
K
---
G
E
--
G
L
G
N
---
Q
F
L
A
H
I
R
E
V
A
A
I
A
H
V
L
R
C
F
P
D
P
-----------
L
E
D
A
E
V
V
E
T
E
L
L
L
A
D
L
A
T
L
E
R
-------
R
L
E
R
L
-
R
K
---------
E
A
R
A
--
D
----
R
E
R
L
P
L
L
E
A
A
E
G
L
Y
V
H
L
Q
-
E
G
K
P
A
R
T
F
P
----
P
S
E
A
V
A
R
F
L
K
E
T
P
L
L
T
A
K
P
V
I
Y
V
A
N
V
A
E
E
D
-
L
PD
G
R
G
--
N
P
Q
V
E
A
V
R
R
-
K
A
--
L
E
E
G
A
E
---
V
V
V
V
S
A
R
L
E
A
E
L
A
E
L
S
G
E
E
A
R
E
L
L
A
A
Y
--
G
L
Q
E
S
G
L
Q
R
L
A
R
A
G
Y
R
A
L
D
L
L
T
F
F
T
A
G
E
K
E
V
R
A
W
T
V
R
R
G
T
K
A
P
R
A
A
G
E
I
H
S
D
M
E
R
--
G
F
I
R
A
E
V
I
P
W
D
K
L
---
V
E
A
G
G
W
A
R
A
K
E
R
G
W
V
R
L
E
G
K
D
Y
E
V
Q
D
G
D
V
I
Y
V
L
F
-------------------------------------
2
PsiBlast_PDB
91.24
51%
-82
- C8 -
2DWQ
-
?
A:
[2-367]
-------
L
A
V
G
I
V
G
L
P
N
V
G
K
S
T
L
F
N
A
L
T
R
A
-
N
A
L
A
A
-----
T
I
D
K
N
V
G
V
V
P
L
E
D
E
R
L
Y
A
L
Q
R
T
F
A
K
----
G
-
E
R
V
P
P
V
V
P
T
H
V
E
F
V
D
I
A
G
L
V
------
K
G
A
H
--
K
---
G
E
--
G
L
G
N
---
Q
F
L
A
H
I
R
E
V
A
A
I
A
H
V
L
R
C
F
P
D
P
---------
D
P
L
E
D
A
E
V
V
E
T
E
L
L
L
A
D
L
A
T
L
E
R
-------
R
L
E
R
L
-
R
K
---------
E
A
R
A
--
D
----
R
E
R
L
P
L
L
E
A
A
E
G
L
Y
V
H
L
Q
-
E
G
K
P
A
R
T
F
P
----
P
S
E
A
V
A
R
F
L
K
E
T
P
L
L
T
A
K
P
V
I
Y
V
A
N
V
A
E
E
D
-
L
PD
G
R
G
--
N
P
Q
V
E
A
V
R
R
-
K
A
--
L
E
E
G
A
E
---
V
V
V
V
S
A
R
L
E
A
E
L
A
E
L
S
G
E
E
A
R
E
L
L
A
A
Y
--
G
L
Q
E
S
G
L
Q
R
L
A
R
A
G
Y
R
A
L
D
L
L
T
F
F
T
A
G
E
K
E
V
R
A
W
T
V
R
R
G
T
K
A
P
R
A
A
G
E
I
H
S
D
M
E
R
--
G
F
I
R
A
E
V
I
P
W
D
K
L
---
V
E
A
G
G
W
A
R
A
K
E
R
G
W
V
R
L
E
G
K
D
Y
E
V
Q
D
G
D
V
I
Y
V
L
F
N
A
-----------------------------------
67
HHSearch
90.59
51%
-74
- C8 -
2DBY
4
?
A:
[1-366]
------
M
L
A
V
G
I
V
G
L
P
N
V
G
K
S
T
L
F
N
A
L
T
R
-
A
N
A
L
A
A
N
Y
P
F
A
T
I
D
K
N
V
G
V
V
P
L
E
D
E
R
L
Y
A
L
Q
R
-
T
F
A
KGE
R
V
-
P
P
V
V
P
T
H
---
V
E
F
V
D
I
A
G
L
V
------
K
G
A
H
--
K
---
G
E
--
G
L
G
N
---
Q
F
L
A
H
I
R
E
V
A
A
I
A
H
V
L
R
C
F
P
D
P
-----------
L
E
D
A
E
V
V
E
T
E
L
L
L
A
D
L
A
T
L
E
R
-------
R
L
E
R
L
-
R
K
---------
E
A
R
A
--
D
----
R
E
R
L
P
L
L
E
A
A
E
G
L
Y
V
H
L
Q
-
E
G
K
P
A
R
T
F
P
P
S
--
E
A
V
A
--
R
F
L
K
E
T
P
L
L
T
A
K
P
V
I
Y
V
A
N
V
A
E
E
D
-
L
--
P
D
G
RG
N
P
Q
V
E
A
V
R
R
K
A
L
--
E
E
-
G
A
E
---
V
V
V
V
S
A
R
L
E
A
E
L
A
E
L
S
G
E
E
A
R
E
L
L
A
A
Y
--
G
L
Q
E
S
G
L
Q
R
L
A
R
A
G
Y
R
A
L
D
L
L
T
F
F
T
A
G
E
K
E
V
R
A
W
T
V
R
R
G
T
K
A
P
R
A
A
G
E
I
H
S
D
M
E
R
--
G
F
I
R
A
E
V
I
P
W
D
K
L
---
V
E
A
G
G
W
A
R
A
K
E
R
G
W
V
R
L
E
G
K
D
Y
E
V
Q
D
G
D
V
I
Y
V
L
F
-------------------------------------
4
PsiBlast_PDB
83.50
37%
-77
- C8 -
1NI3
1
OLA1_SCHPO
A:
[21-388]
-------
L
K
T
G
I
V
G
M
P
N
V
G
K
S
T
F
F
R
A
I
T
K
S
V
L
G
N
P
A
N
Y
P
Y
A
T
I
D
P
E
E
A
K
V
A
V
P
D
E
R
F
D
W
L
C
E
-
A
Y
K
----
P
-
K
S
R
V
P
A
F
---
L
T
V
F
D
I
A
G
L
T
------
K
G
A
S
--
T
---
G
V
--
G
L
G
N
---
A
F
L
S
H
V
R
A
V
D
A
I
Y
Q
V
V
R
A
F
D
D
A
E
I
I
H
V
E
G
D
V
D
P
I
R
D
L
S
I
I
V
D
E
L
L
I
K
D
A
E
F
V
E
K
-------
H
L
E
G
L
-
R
K
I
TSRGANTL
E
M
K
A
--
K
----
K
E
E
Q
A
I
I
E
K
V
Y
Q
Y
L
T
--
E
-
T
K
Q
P
I
R
K
G
D
W
S
--
N
R
E
--
V
E
I
I
N
S
L
Y
L
L
T
A
K
P
V
I
Y
L
V
N
M
S
E
R
D
F
L
--
R
Q
K
--
N
K
Y
L
P
K
I
K
K
-
W
I
--
D
-
E
N
S
P
G
D
T
L
I
P
M
S
V
A
F
E
E
R
L
T
N
F
T
E
E
E
A
I
E
E
C
K
K
L
--
N
T
-
K
S
M
L
P
K
I
I
V
T
G
Y
N
A
L
N
L
I
N
Y
F
T
C
G
E
D
E
V
R
S
W
T
I
R
K
G
T
K
A
P
Q
A
A
G
V
I
H
T
D
F
E
K
--
A
F
V
V
G
E
I
M
H
Y
Q
D
L
---
F
D
Y
K
T
E
N
A
C
R
A
A
G
K
Y
L
T
K
G
K
E
Y
V
M
E
S
G
D
I
A
H
W
K
--------------------------------------
70
HHSearch
82.59
38%
-79
- C8 -
1NI3
1
OLA1_SCHPO
A:
[21-388]
-------
L
K
T
G
I
V
G
M
P
N
V
G
K
S
T
F
F
R
A
I
T
K
S
V
L
G
N
P
A
N
Y
P
Y
A
T
I
D
P
E
E
A
K
V
A
V
P
D
E
R
F
D
W
L
C
E
-
A
Y
K
----
P
-
K
S
R
V
P
A
F
---
L
T
V
F
D
I
A
G
L
T
------
K
G
A
S
--
T
---
G
V
--
G
L
G
N
---
A
F
L
S
H
V
R
A
V
D
A
I
Y
Q
V
V
R
A
F
D
D
A
E
I
I
H
V
E
G
D
V
D
P
I
R
D
L
S
I
I
V
D
E
L
L
I
K
D
A
E
F
V
E
K
-------
H
L
E
G
L
-
R
K
---------
I
T
S
R
GA
N
TLE
M
K
A
K
K
E
E
Q
A
I
I
E
K
V
Y
Q
Y
L
T
E
T
K
Q
P
I
R
K
G
D
W
S
--
N
R
E
V
--
E
I
I
N
S
L
Y
L
L
T
A
K
P
V
I
Y
L
V
N
M
S
E
R
D
-
F
--
L
R
Q
K-
N
K
Y
L
P
K
I
K
K
W
I
D
E
N
S
P
-
G
D
T
---
L
I
P
M
S
V
A
F
E
E
R
L
T
N
F
T
E
E
E
A
I
E
E
C
K
K
L
--
N
T
K
-
S
M
L
P
K
I
I
V
T
G
Y
N
A
L
N
L
I
N
Y
F
T
C
G
E
D
E
V
R
S
W
T
I
R
K
G
T
K
A
P
Q
A
A
G
V
I
H
T
D
F
E
K
--
A
F
V
V
G
E
I
M
H
Y
Q
D
L
---
F
D
Y
K
T
E
N
A
C
R
A
A
G
K
Y
L
T
K
G
K
E
Y
V
M
E
S
G
D
I
A
H
W
K
--------------------------------------
7
PsiBlast_PDB
48.15
29%
-55
- C8 -
1LNZ
2
OBG_BACSU
A:
[161-320]
---------
V
G
L
V
G
F
P
S
V
G
K
S
T
L
L
S
V
V
S
S
A
K
-
P
K
I
A
D
Y
H
F
T
T
L
V
P
N
L
G
M
V
E
T
D
D
G
R
S
F
V
M
A
-------------------------
D
L
P
G
L
I
------
E
G
A
H
--
Q
---
G
V
--
G
L
G
H
---
Q
F
L
R
H
I
E
R
T
R
V
I
V
H
V
I
------
D
M
S
G
L
E
G
R
-
D
P
Y
D
D
Y
L
T
I
N
Q
E
L
S
E
Y
N
L
----
R
-------
L
T
E
R
P
-
Q
I
---------
I
V
A
N
--
K
----
M
D
M
P
E
A
A
E
N
L
E
A
F
K
E
K
L
T
-
D
D
Y
P
--
V
F
P
I
S
AV
T
R
E
G
L
R
E
L
L
F
E
V
A
N
Q
L
E
N
T
P
E
F
P
L
Y
D
E
E
E
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
90
HHSearch
47.00
32%
-46
- C8 -
2DYK
1
?
A:
[2-91]
-------
H
K
V
V
I
V
G
R
P
N
V
G
K
S
S
L
F
N
R
L
L
K
K
R
S
-----------
D
L
K
E
G
V
V
E
T
D
R
-----------------------
G
R
---
F
L
L
V
D
T
G
G
L
W
------
S
G
D
K
--
W
---
E
K
--
K
I
Q
E
---
K
V
D
R
A
L
E
D
A
E
V
V
L
F
A
V
D
G
R
A
E
L
T
Q
A
D
Y
E
V
A
E
Y
L
R
R
K
G
K
P
V
I
L
V
A
T
K
V
D
D
P
K
H
E
L
-------
Y
L
G
P
L
-
Y
G
---------
L
G
F
G
--
D
----
P
I
P
T
S
S
E
H
A
R
G
L
E
E
L
L
E
A
-
I
W
E
R
L
P
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
97
Fugue
46.41
14%
-51
- C8 -
3I8S
-
FEOB_ECOLI
B:
[1-261]
----M
K
K
L
T
I
G
L
I
G
N
P
N
S
G
K
T
T
L
F
N
Q
L
T
G
-
S
R
Q
R
V
G
N
W
A
G
V
T
V
E
R
K
E
G
Q
F
S
T
T
D
H
-----------------------
Q
---
V
T
L
V
D
L
P
G
T
Y
SLTTIS
S
Q
T
S
--
L
---
D
E
--
Q
I
A
C
---
H
Y
I
L
S
-
G
D
A
D
L
L
I
N
V
V
D
------
A
S
N
L
E
R
N
L
Y
L
T
L
Q
L
L
E
L
G
I
P
C
I
V
A
L
N
----------------
M
-
L
D
---------
I
A
E
K
--
Q
----
N
I
R
I
E
I
D
A
L
S
A
R
L
G
C
P
V
I
-
P
L
V
S
T
R
--------
G
R
G
I
E
A
L
K
L
A
I
D
R
Y
K
A
N
E
N
V
E
L
V
H
Y
A
Q
P
L
-
L
--
N
E
A
--
D
S
L
A
K
V
M
P
S
-
D
I
--
P
L
K
Q
R
R
---
W
L
G
L
Q
M
L
E
G
D
I
Y
S
R
A
Y
A
G
E
A
S
Q
H
L
D
A
A
L
A
R
L
R
N
E
M
D
D
P
A
L
H
I
A
D
A
R
Y
Q
C
I
A
A
I
C
D
V
V
S
N
------------------------------------------------------------------------------------------------------------------
82
HHSearch
46.36
30%
-110
- C8 -
1MKY
3
DER_THEMA
A:
[2-93]
-------
A
T
V
L
I
V
G
R
P
N
V
G
K
S
T
L
F
N
K
L
V
K
--------------
D
P
V
Q
D
T
V
E
W
Y
G
-----------------------
K
T
---
F
K
L
V
D
T
C
G
V
F
------
D
N
P
Q
--
D
II-
S
Q
--
K
M
K
E
---
V
T
L
N
M
I
R
E
A
D
L
V
L
F
V
V
D
G
K
R
G
I
T
K
E
D
E
S
L
A
D
F
L
R
K
S
T
V
D
T
I
L
V
A
N
K
A
E
N
L
R
E
F
E
-------
R
E
V
K
P
-
E
L
---------
Y
S
L
G
--
F
----
G
E
P
I
P
V
S
A
E
H
N
I
N
L
D
T
M
L
-
E
T
I
I
K
K
L
E
E
K
G
--
L
D
L
E
S
K
P
E
I
T
D
A
I
K
V
A
I
V
G
R
P
N
V
G
K
S
T
L
F
N
-
A
--
I
L
N
--
K
E
R
A
L
V
S
P
I
-
P
V
--
D
D
E
V
F
I
---
D
G
R
K
Y
V
F
V
D
T
A
G
L
E
K
Y
S
N
Y
R
V
V
D
S
I
E
K
--
A
D
V
V
V
I
V
L
D
A
T
Q
G
I
T
R
Q
D
Q
R
M
A
G
L
M
E
R
R
G
R
A
S
V
V
V
F
N
K
W
D
L
V
V
H
R
E
K
R
Y
D
E
F
T
K
L
--
F
R
E
K
L
Y
F
I
D
Y
S
P
L
---
I
F
T
S
A
D
K
G
W
N
I
D
R
M
I
D
A
M
N
L
A
Y
A
S
Y
T
T
K
V
P
S
S
A
I
N
S
-----------------------------------
79
HHSearch
46.32
30%
-97
- C8 -
1MKY
2
DER_THEMA
A:
[180-275]
------
A
I
K
V
A
I
V
G
R
P
N
V
G
K
S
T
L
F
N
A
I
L
N
K
E
R
A
L
V
S
P
I
P
------
V
D
D
E
V
F
I
D
G
-----------------------
R
K
---
Y
V
F
V
D
T
A
G
L
-------------------EK
Y
S
N
Y
---
R
V
V
D
S
I
E
K
A
D
V
V
V
I
V
L
D
A
T
Q
G
I
T
R
Q
D
Q
R
M
A
G
L
M
E
R
R
G
R
A
S
V
V
V
F
N
K
W
D
L
V
V
H
R
E
-------
K
R
Y
D
E
-
F
T
---------
K
L
F
R
--
E
----
K
L
Y
F
I
D
Y
S
P
L
I
F
T
S
A
D
K
G
-
W
N
I
D
R
M
I
D
A
M
N
--
L
A
Y
A
S
Y
T
T
K
V
P
S
S
A
I
N
S
A
L
Q
K
V
L
A
F
T
N
L
P
R
-
G
--
L
K
I
--
F
F
G
V
Q
V
D
I
K
-
P
P
--
T
F
L
F
F
V
---
N
S
I
E
K
V
K
N
P
Q
K
I
F
L
R
K
L
I
R
D
Y
V
F
P
F
E
G
--
S
P
I
F
L
K
F
K
R
S
R
-------------------------------------------------------------------------------------------------------------------------------------
72
HHSearch
46.32
42%
-87
- C8 -
1UDX
3
OBG_THET8
A:
[158-247]
-------
A
D
V
G
L
V
G
Y
P
N
A
G
K
S
S
L
L
A
A
M
T
R
-
A
H
P
K
I
A
P
Y
P
F
T
T
L
S
P
N
L
G
V
V
E
V
S
E
E
----------------------
E
R
---
F
T
L
A
D
I
P
G
I
I
------
E
G
A
S
--
E
---
G
K
--
G
L
G
L
---
E
F
L
R
H
I
A
R
T
R
V
L
L
Y
V
L
D
A
A
D
E
P
L
K
T
L
E
T
L
R
K
E
V
G
A
Y
D
P
A
L
L
R
R
P
S
L
V
A
L
N
K
V
D
L
-------
L
E
E
E
A
-
V
K
---------
A
L
A
D
--
A
----
L
A
R
E
G
L
A
V
L
P
V
S
A
L
T
G
A
G
-
L
P
A
L
K
E
A
L
H
A
L
--
V
R
S
T
P
P
P
E
M
P
K
P
V
P
Q
A
G
V
E
V
V
P
V
A
E
G
V
Y
E
V
-
R
--
A
P
E
--
V
E
R
Y
L
A
R
I
K
-
G
D
--
L
M
E
A
A
G
---
Y
L
Q
E
V
F
R
R
Q
G
V
E
A
A
L
R
A
K
G
V
R
A
G
D
L
V
R
--
I
G
G
L
E
F
E
Y
I
P
E
V
------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
45.61
33%
-58
- C8 -
1UDX
3
OBG_THET8
A:
[160-293]
---------
V
G
L
V
G
Y
P
N
A
G
K
S
S
L
L
A
A
M
T
R
A
-
H
P
K
I
A
P
Y
P
F
T
T
L
S
P
N
L
G
V
V
E
V
S
E
E
E
R
F
T
L
A
-------------------------
D
I
P
G
I
I
------
E
G
A
S
--
E
---
G
K
--
G
L
G
L
---
E
F
L
R
H
I
A
R
T
R
V
L
L
Y
V
L
D
A
A
D
-----------
E
P
L
K
T
L
E
T
L
R
K
E
V
G
A
Y
D
P
A
L
L
R
R
P
S
L
V
A
LN
K
V
D
L
L
E
E
E
---------
A
V
K
A
--
L
----
A
D
A
L
A
R
E
G
L
A
V
L
P
V
S
A
L
T
-
G
A
G
L
P
A
L
K
E
A
L
--
H
A
L
V
R
S
T
P
P
P
E
M
P
K
P
V
P
Q
A
G
V
E
V
V
P
V
A
E
G
V
-
Y
--
E
V
R
--
A
P
E
V
E
R
Y
L
A
-
R
I
--
K
G
D
L
M
E
---
A
A
G
Y
L
Q
E
V
F
R
R
Q
G
V
E
A
A
L
R
A
K
G
V
R
A
G
D
--
L
V
R
I
G
G
L
E
F
E
Y
I
P
E
V
---------------------------------------------------------------------------------------------------------------------------------
75
HHSearch
44.64
27%
-72
* C8 *
3IEV
2
ERA_AQUAE
A:
[10-104]
------
V
G
Y
V
A
I
V
G
K
P
N
V
G
K
S
T
L
L
N
N
L
L
G
T
K
V
S
I
I
S
P
K
A
G
T
T
R
M
R
V
L
G
V
K
N
I
P
N
E
----------------------
A
Q
---
I
I
F
L
D
T
P
G
I
Y
------
E
P
K
K
--
S
D
V
L
G
H
--
S
M
V
E
---
I
A
K
Q
S
L
E
E
A
D
V
I
L
F
M
I
D
A
T
E
G
W
R
P
R
D
E
E
I
Y
Q
N
F
I
K
P
L
N
K
P
V
I
V
V
I
N
K
I
D
K
I
G
P
A
-------
K
N
V
L
P
-
L
I
---------
D
E
I
H
--
K
----
K
H
P
E
L
T
E
I
V
P
I
S
A
L
K
G
A
N
-
L
D
E
L
V
K
T
I
L
K
Y
--
L
P
E
G
E
P
L
F
P
E
D
M
I
T
D
L
P
L
R
L
L
A
A
E
I
V
R
E
K
A
-
M
--
M
L
T
--
R
E
E
V
P
T
S
I
A
-
V
K
--
I
N
E
I
K
P
---
G
D
A
N
P
N
M
L
V
I
K
G
E
I
I
V
D
R
E
N
L
K
P
I
I
I
G
--
K
K
G
Q
R
L
K
E
I
G
K
R
A
R
Q
E
L
E
L
I
L
G
R
P
V
Y
L
E
L
W
V
K
V
V
P
D
W
R
R
R
P
E
Y
V
R
L
F
G
Y
A
L
---------------------------------------------------------------------------------------------
74
HHSearch
44.21
37%
-73
- C8 -
1LNZ
2
OBG_BACSU
A:
[159-249]
-------
A
D
V
G
L
V
G
F
P
S
V
G
K
S
T
L
L
S
V
V
S
S
-
A
K
P
K
I
A
D
Y
H
F
T
T
L
V
P
N
L
G
M
V
E
T
D
D
G
----------------------
R
S
---
F
V
M
A
D
L
P
G
L
I
------
E
G
A
H
--
Q
---
G
V
--
G
L
G
H
---
Q
F
L
R
H
I
E
R
T
R
V
I
V
H
V
I
D
M
S
G
L
E
G
R
D
P
Y
D
D
Y
L
T
I
N
Q
E
L
S
E
Y
N
L
R
L
T
E
R
P
Q
I
I
V
A
N
-------
K
M
D
M
P
-
E
A
---------
A
E
N
L
--
E
----
A
F
K
E
K
L
T
D
D
Y
P
V
F
P
I
S
A
V
-
T
R
E
G
L
R
E
L
L
F
E
--
V
A
N
Q
L
E
N
T
P
E
F
P
L
Y
D
E
E
E
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
86
HHSearch
44.06
26%
-81
- C8 -
3A1S
2
?
A:
[5-96]
------
M
V
K
V
A
L
A
G
C
P
N
V
G
K
T
S
L
F
N
A
L
T
G
-
T
K
Q
Y
V
A
N
W
P
G
V
T
V
E
K
K
E
G
V
F
T
Y
K
G
-----------------------
Y
T
---
I
N
L
I
D
L
P
G
T
Y
------
S
L
G
Y
SS
I
---
D
E
--
K
I
A
R
---
D
Y
L
-
L
K
G
D
A
D
L
V
I
L
V
A
D
S
V
N
P
E
Q
S
L
Y
L
L
L
E
I
L
E
M
E
K
K
V
I
L
A
M
T
A
I
D
E
A
K
K
T
G
M
K
-------
I
D
R
Y
E
-
L
Q
---------
K
H
L
G
--
I
----
P
V
V
F
T
S
S
V
T
G
E
G
L
E
E
L
K
E
-
K
I
V
E
Y
A
Q
K
N
T
I
--
L
H
R
M
I
L
D
Y
G
E
K
V
E
S
E
I
K
K
V
E
N
F
L
R
D
K
K
L
R
I
-
N
--
P
R
Y
--
F
A
L
K
Y
L
S
G
D
-
P
E
--
F
Y
S
E
G
V
---
K
L
G
L
P
E
L
S
E
E
E
R
I
G
Y
R
L
L
I
A
K
R
K
R
E
Y
V
--
E
N
V
V
K
E
A
F
A
---------------------------------------------------------------------------------------------------------------------------------------
87
HHSearch
43.92
24%
-83
- C8 -
3I8S
-
FEOB_ECOLI
A:
[3-97]
------
K
L
T
I
G
L
I
G
N
P
N
S
G
K
T
T
L
F
N
Q
L
T
G
-
S
R
Q
R
V
G
N
W
A
G
V
T
V
E
R
K
E
G
Q
F
S
T
T
D
-----------------------
H
Q
---
V
T
L
V
D
L
P
G
T
Y
------
S
L
T
T
--------T-
S
L
D
E
Q
I
A
C
H
Y
I
L
S
G
D
A
D
L
L
I
N
V
V
D
A
S
N
L
E
R
N
L
Y
L
T
L
Q
L
L
E
L
G
I
P
C
I
V
A
L
N
M
L
D
I
A
E
K
Q
N
I
R
-------
I
E
I
D
A
-
L
S
---------
A
R
L
G
--
C
----
P
V
I
P
L
V
S
T
R
G
R
G
I
E
A
L
K
L
-
A
I
D
R
Y
K
A
N
E
N
V
--
E
L
V
H
Y
A
Q
P
L
L
N
E
A
D
S
L
A
K
V
M
P
S
D
I
P
L
K
Q
R
R
-
W
--
L
G
L
--
Q
M
L
E
G
D
I
Y
S
-
R
A
--
Y
A
G
E
A
S
---
Q
H
L
D
A
A
L
A
R
L
R
N
E
M
D
D
P
A
L
H
I
A
D
A
R
Y
Q
--
C
I
A
A
I
C
D
V
V
S
N
T
L
T
----------------------------------------------------------------------------------------------------------------------------------
94
Fugue
43.91
16%
-32
- C7 -
3QQ5
-
?
A:
[-1-398]
TMRLG
F
R
R
Y
I
V
V
A
G
R
R
N
V
G
K
S
S
F
M
N
A
L
V
G
T
----
D
P
V
Y
K
S
M
E
L
H
P
I
G
P
V
T
L
V
D
T
P
G
L
D
D
V
G
E
-
L
G
R
----
L
R
V
E
K
A
R
R
V
---
F
Y
R
A
D
C
G
I
L
V
------
T
D
S
A
--
P
---
T
---
P
Y
E
D
---
D
V
V
N
L
F
K
E
M
E
I
P
F
V
V
V
V
N
K
I
D
V
L
G
E
K
A
E
E
L
K
G
L
Y
E
S
R
Y
E
A
K
V
L
L
V
S
A
L
Q
K
K
G
F
D
-------
D
I
G
K
T
-
I
S
---------
E
I
L
P
--
G
----
D
E
E
I
P
Y
L
G
-
D
L
I
D
G
G
D
L
V
-
I
L
V
V
P
I
D
L
G
A
P
--
K
G
R
L
I
M
P
Q
V
H
A
I
R
E
A
L
D
R
E
A
I
A
L
V
V
K
E
R
E
L
-
R
--
Y
V
M
--
E
N
I
G
M
K
P
K
---------------------------
L
V
I
T
D
S
Q
V
A
M
K
V
A
S
D
--
V
P
E
D
V
E
L
T
T
F
S
I
V
E
S
R
Y
R
G
D
L
A
Y
F
V
E
S
V
R
K
I
E
E
--
L
E
D
G
D
T
V
V
I
M
E
G
C
T
H
R
P
L
T
E
DI
G
R
V
K
I
P
R
W
L
V
N
H
T
GAQ
L
N
F
K
V
I
A
G
K
D
F
P
D
L
E
E
I
E
N
A
K
L
I
I
H
C
G
G
C
I
L
N
R
S
A
M
M
R
R
V
R
M
A
K
R
L
G
I
P
M
T
N
Y
G
V
T
I
S
Y
L
H
GVLERAIRPF
76
HHSearch
41.70
28%
-84
- C8 -
1WF3
4
ERA_THET8
A:
[7-99]
------
S
G
F
V
A
I
V
G
K
P
N
V
G
K
S
T
L
L
N
N
L
L
G
V
K
V
A
P
I
S
P
R
P
Q
T
T
R
K
R
L
R
G
I
L
T
E
G
R
-----------------------
R
Q
---
I
V
F
V
D
T
P
G
L
H
------
K
P
M
D
--
A
L
--
G
E
--
F
M
D
Q
---
E
V
Y
E
A
L
A
D
V
N
A
V
V
W
V
V
D
L
R
H
P
P
T
P
E
D
E
L
V
A
R
A
L
K
P
L
V
G
K
V
P
I
L
L
V
G
N
K
L
D
A
A
K
Y
-------
P
E
E
A
M
-
K
A
---------
Y
H
E
L
--
L
----
P
E
A
E
P
R
M
L
S
A
L
D
E
R
Q
V
A
E
-
L
K
A
D
L
L
A
L
M
P
E
--
G
P
F
F
Y
P
E
D
Y
A
K
S
D
Q
T
F
G
E
W
V
A
E
I
L
R
E
E
A
M
K
-
R
--
L
W
H
--
E
V
P
Y
A
V
A
T
K
-
V
E
--
E
V
A
E
R
E
---
N
G
V
L
Y
I
K
A
I
L
Y
V
E
R
P
S
Q
K
A
I
V
I
G
E
G
G
R
--
K
I
K
E
I
G
Q
A
T
R
K
Q
L
E
A
L
L
G
K
K
V
Y
L
D
L
E
V
K
V
Y
P
D
W
R
K
D
P
E
A
L
R
E
L
G
Y
R
S
-------------------------------------------------------------------------------------------------