@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_0249: (2015-12-13 )
MNLFEKMTDQLHETLDSAIALALHHKNAEVTPMHMLFAMLNNSQGILIQALQKMPVDIEALKLSVQSELNKFAKVSQISKQNIQLNQALIQSLENAQGLMAKRGDSFIATDAYLLANMNLFESVLKPYLDTKELQKTLESLRKGRTIQDKNDDSNLESLEKFGIDLTQKALENKLDPVIGRDEEIIRMMQILIRKTKNNPILLGEPGVGKTAVVEGLAQRIVNKEVPKTLLNKRVVALDLSLLVAGAKYRGEFEERLKKVIEEVKKSANVILFIDEIHTIVGAGASEGGMDAANILKPALARGELHTIGATTLKEYRKYFEKDMALQRRFQPILLNEPSINEALQILRGLKETLETHHNITINDSALIASAKLSSRYITDRFLPDKAIDLIDEGAAQLKMQMESEPAKLSSVKRSIQRLEMEKQALEMENKESNHKRMQEILKELSDLKEEKIQLEAQFENEKEVFKEISRLKMEMEGLKKEAERFKRNGDYQQAAEIEYSKIPEKEKKEKELQHKWETMQQNGALLQNALTENNIAEIVSQWTHIPVQKMLQSEKNRVLNIESELQKRVVGQEKALKAIAKAIKRNKAGLSDSNKPIGSFLFLGPTGVGKTESAKALAQFLFDSDKNLIRIDMSEYMEKHAISRLIGAAPGYVGYEEGGQLTEAVRRKPYSVVLLDEVEKAHPDVFNLLLQVLDEGHLTDSKGVRVDFKNTILILTSNVASGALLEEDLSEADKQKAIKESLRQFFKPEFLNRLDEIISFNALDSHAIINIVGILFENVQKKALERGINITLDEKAKELIAEAGFDRFYGARPLKRALYEMVEDKLAELILEDKIKENDSVAFVVENNEIVPKIK
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.......650.......660.......670.......680.......690.......700.......710.......720.......---730.......740----.......750.......760.......770.......780.......790.......800.......810.......820.......830.......840.......850....-
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
N
L
F
E
K
M
T
D
Q
L
H
E
T
L
D
S
A
I
--
A
L
A
LHHKNAEV
T
P
M
H
M
L
F
A
M
LNNSQ
G
I
L
I
Q
A
L
Q
KMPV
D
I
E
A
L
K
L
S
V
Q
S
E
L
N
K
F
A
K
V
S
Q
--
I
S
KQ--NI
Q
L
N
Q
A
L
I
Q
S
L
E
N
A
Q
G
L
M
A
KRGDSF
I
A
T
D
A
Y
L
L
A
N
M
N
L
F
E
----
S
V
L
K
PY-L
D
T
------
K
E
L
Q
K
------
T
L
E
S
L
---RKGRT---IQDKNDDS
N
L
E
S
L
E
K
FG
I
D
L
T
Q
K
A
L
E
NKLDPVIGR
D
E
E
I
I
R
M
M
Q
I
L
I
R
KTKNN
P
I
L
L
GEPGV
G
K
T
A
V
V
E
G
L
A
Q
R
I
V
N
K
EV
P
K
T
L
L
NK
R
V
V
A
L
D
L
S
L
L
VAGAKYR
G
E
F
E
E
R
L
K
K
V
I
E
E
V
K
KS-A
N
-
V
I
L
F
IDE
I
H
T
I
V
GAGAS-EGG-M
D
A
A
N
I
L
K
P
A
LARG
E
L
HT
I
G
A
T
T
L
K
E
Y
R
K
Y
F
E
K
D
M
A
L
Q
R
RFQ
P
I
LLNEP
S
I
N
E
A
L
Q
I
L
R
G
L
K
E
T
L
E
THH
N
I
T
INDS
A
L
I
A
SAKLSSRYITDRFLP
D
K
A
I
D
L
I
DE
G
A
A
Q
L
K
MQMESEP
A
K
L
S
S
V
K
R
S
I
Q
R
L
E
M
E
K
Q
A
L
EMENKES
N
H
K
R
M
Q
E
I
L
K
E
L
S
D
L
K
E
E
K
I
Q
L
E
A
QFE
N
E
K
E
V
F
K
E
I
S
R
L
K
M
E
M
E
G
L
K
K
E
A
E
R
FKRNGD
Y
Q
Q
A
A
EI
E
Y
SKIP
E
K
E
K
K
E
K
E
L
Q
H
K
W
E
T
M
Q
QN
G
A
L
L
Q
N
ALTE
N
N
I
A
E
I
V
S
QWTHI
P
V
Q
K
M
L
Q
SEKN
R
V
L
N
I
E
S
E
L
Q
K
R
VV
G
Q
E
K
A
L
K
A
I
A
K
A
I
K
RNKAGLSDSNKPI
G
S
F
L
F
LGPTGVGK
T
E
S
A
K
A
L
A
Q
F
L
F
DSDK
N
L
I
R
I
D
M
S
E
Y
M
E
K
H
A
I
S
R
L
I
GAAPGYVGYEEGG
Q
L
T
E
A
V
RRKP
Y
S
V
V
L
L
D
E
V
E
K
AH
P
D
V
F
N
L
L
L
Q
V
L
DEGHLTDSK
G
V
R
V
D
FK
N
T
I
L
I
L
TSNVASG
A
L
L
E
E
D
---
L
S
E
A
D
K
Q
K
A
I
K
E
S
----
L
R
Q
FF
K
P
E
F
L
N
R
L
D
E
I
I
SFNALD
S
H
A
I
I
N
I
V
G
I
L
F
E
N
V
Q
K
K
A
L
E
RGI
N
I
T
L
D
E
K
A
K
E
L
I
A
E
AG
F
D
R
FYGA
R
P
L
K
R
A
L
Y
E
M
V
E
D
K
L
A
E
L
I
L
E
D
KIKEND
S
V
A
F
V
V
EN
N
E
IVPKIK-
109
Fugue
87.92
48%
-77
- C2 -
1QVR
7
CLPB_THET8
A:
[4-850]
----
E
R
W
T
Q
A
A
R
E
A
L
A
Q
A
Q
--
V
L
A
Q
R
M
K
H
Q
A
I
D
L
P
H
L
W
A
V
L
L
K
D
E
R
S
L
A
W
R
L
L
E
K
A
G
A
D
P
K
A
L
K
E
L
Q
E
R
E
L
A
R
L
P
K
V
E
---
G
A
E
V
--
G
Q
Y
L
T
S
R
L
S
G
A
L
N
R
A
E
G
L
M
E
E
L
K
D
R
Y
V
A
V
D
T
L
V
L
A
L
A
E
A
T
P
----
G
L
P
G
-----
L
------
E
A
L
K
G
------
A
L
K
E
L
---
R
G
G
R
T
---
V
Q
T
E
H
A
E
S
T
Y
N
A
L
E
Q
Y
G
I
D
L
T
R
L
A
A
E
G
K
L
D
P
V
I
G
R
D
E
E
I
R
R
V
I
Q
I
L
L
R
R
T
K
N
N
P
V
L
I
G
E
P
G
V
G
K
T
A
I
V
E
G
L
A
Q
R
I
V
K
G
D
V
P
E
G
L
K
G
K
R
I
V
S
L
Q
-----------
M
E
F
E
E
R
L
K
A
V
I
Q
E
V
V
Q
S
-
Q
G
E
V
I
L
F
I
D
E
---------------------
L
K
P
A
L
A
R
G
E
L
R
L
I
G
A
T
T
L
D
E
Y
R
E
I
-
E
K
D
P
A
L
E
R
R
F
Q
P
V
Y
V
D
E
P
T
V
E
E
T
I
S
I
L
R
G
L
K
E
K
Y
E
V
H
H
G
V
R
I
S
D
S
A
I
I
A
A
A
T
L
S
H
R
Y
I
T
E
R
R
L
P
D
K
A
I
D
L
I
D
E
A
A
A
R
L
R
M
A
L
E
S
A
P
E
E
I
D
A
L
E
R
K
K
L
Q
L
E
I
E
R
E
A
L
K
K
E
K
D
P
D
S
Q
E
R
L
K
A
I
E
A
E
I
A
K
L
T
E
E
I
A
K
L
R
A
E
W
E
R
E
R
E
I
L
R
K
L
R
E
A
Q
H
R
L
D
E
V
R
R
E
I
E
L
A
E
R
Q
Y
D
L
N
R
A
A
E
L
R
Y
G
E
L
P
K
L
E
A
E
V
E
A
L
S
E
K
----
L
R
G
A
R
F
V
R
L
E
V
T
E
E
D
I
A
E
I
V
S
R
W
T
G
I
P
V
S
K
L
L
E
G
E
R
E
K
L
L
R
L
E
E
E
L
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
--------------
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
P
L
I
L
E
G
L
Q
K
G
W
P
Y
E
R
I
R
D
E
V
F
K
V
----
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
G
P
A
G
L
V
F
A
V
P
A
84
HHSearch
81.41
45%
-83
- C6 -
3PXI
-
CLPC_BACSU
A:
[3-805]
---
F
G
R
F
T
E
R
A
Q
K
V
L
A
L
A
Q
--
E
E
A
L
R
L
G
H
N
N
I
G
T
E
H
I
L
L
G
L
V
R
E
G
E
G
I
A
A
K
A
L
Q
A
L
G
L
G
S
E
K
I
Q
K
E
V
E
S
L
I
G
R
G
Q
E
M
------
S
Q
--
T
I
H
Y
T
P
R
A
K
K
V
I
E
L
S
M
D
E
A
R
K
L
G
H
S
Y
V
G
T
E
H
I
L
L
G
L
I
R
E
G
E
GVAA
R
V
L
N
N
L
G
V
S
L
------
N
K
A
R
Q
------
Q
V
L
Q
L
---
L
G
S
N
E
TGS----
N
S
N
A
N
T
P
T
L
D
S
L
A
R
D
L
T
A
I
A
K
E
D
S
L
D
P
V
I
G
R
S
K
E
I
Q
R
V
I
E
V
L
S
R
R
T
K
N
N
P
V
L
I
G
E
P
G
V
G
K
T
A
I
A
E
G
L
A
Q
Q
I
I
N
N
E
V
P
E
I
L
R
D
K
R
V
M
T
L
---------------
E
D
R
L
K
K
V
M
D
E
I
R
Q
A
-
G
N
-
I
I
L
F
I
D
A
----------------------
K
P
S
L
A
R
G
E
L
Q
C
I
G
A
T
T
L
D
E
Y
R
K
Y
I
E
K
D
A
A
L
E
R
R
F
Q
P
I
Q
V
D
Q
P
S
V
D
E
S
I
Q
I
L
Q
G
L
R
D
R
Y
E
A
H
H
R
V
S
I
T
D
D
A
I
E
A
A
V
K
L
S
D
R
Y
I
S
D
R
F
L
P
D
K
A
I
D
L
I
D
E
A
G
S
K
V
R
L
R
S
F
T
--
P
N
L
K
E
L
E
Q
K
L
D
E
V
R
K
E
K
D
A
A
--------------------------
V
Q
S
Q
E
F
E
K
A
A
S
L
-
R
D
----
T
E
Q
---
R
L
R
E
Q
V
E
D
T
K
K
S
W
------------------------------
K
E
K
Q
G
Q
E
---
V
T
V
D
D
I
A
M
V
V
S
S
W
T
-------
A
Q
T
E
T
D
K
L
L
N
M
E
N
I
L
H
S
R
V
I
G
Q
D
E
A
V
V
A
V
A
K
A
V
R
R
A
R
A
G
L
K
D
P
K
R
P
I
G
S
F
I
F
L
G
P
T
G
V
G
K
T
E
L
A
R
A
L
A
E
S
I
F
G
D
E
E
S
M
I
R
I
D
M
S
E
Y
M
E
K
H
S
T
--------------
S
---
L
T
E
K
V
R
R
K
P
Y
S
V
V
L
L
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
V
L
E
D
G
R
L
T
-----
T
V
D
F
R
N
T
I
L
I
M
T
S
N
V
G
A
S
E
K
D
--------------
K
V
M
G
E
----
L
K
R
A
F
R
P
E
F
I
N
R
I
D
E
I
I
V
F
H
--
E
K
K
H
L
T
E
I
V
S
L
M
S
D
Q
L
T
K
R
L
K
E
Q
D
L
S
I
E
L
T
D
A
A
K
A
K
V
A
E
E
G
V
D
L
E
Y
G
A
R
P
L
R
R
A
I
Q
K
H
V
E
D
R
L
S
E
E
L
L
R
G
N
I
H
K
G
Q
H
I
V
L
D
V
E
D
G
E
F
V
V
K
T
T
-
1
PsiBlast_PDB
80.13
41%
-78
- C6 -
3PXI
-
CLPC_BACSU
A:
[3-804]
---
F
G
R
F
T
E
R
A
Q
K
V
L
A
L
A
Q
EE
A
L
R
L
G
H
N
N
--
I
G
T
E
H
I
L
L
G
L
V
R
E
G
E
G
I
A
A
K
A
L
Q
A
L
G
L
G
S
E
K
I
Q
K
E
V
E
S
L
I
G
R
G
Q
E
M
S
Q
--
T
I
H
Y
--
T
P
R
A
K
K
V
I
E
L
S
M
D
E
A
R
K
L
----
G
H
S
Y
V
G
T
E
H
I
L
L
G
L
I
R
E
G
E
----
G
V
A
A
R
V
-
L
N
N
LGVSLN
K
A
R
Q
Q
------
V
L
Q
L
L
GSN
E
T
G
S
--------
N
S
N
A
N
T
P
T
L
D
S
L
A
R
D
L
T
A
I
A
K
E
D
S
L
D
P
V
I
G
R
S
K
E
I
Q
R
V
I
E
V
L
S
R
R
T
K
N
N
P
V
L
I
G
E
P
G
V
G
K
T
A
I
A
E
G
L
A
Q
Q
I
I
N
N
E
V
P
E
I
L
R
D
K
R
V
M
T
L
---------------
E
D
R
L
K
K
V
M
D
E
I
R
Q
A
-
G
N
-
I
I
L
F
I
D
-------------
A
---------
K
P
S
L
A
R
G
E
L
Q
C
I
G
A
T
T
L
D
E
Y
R
K
Y
I
E
K
D
A
A
L
E
R
R
F
Q
P
I
Q
V
D
Q
P
S
V
D
E
S
I
Q
I
L
Q
G
L
R
D
R
Y
E
A
H
H
R
V
S
I
T
D
D
A
I
E
A
A
V
K
L
S
D
R
Y
I
S
D
R
F
L
P
D
K
A
I
D
L
I
D
E
A
G
S
K
V
R
L
R
S
F
T
--
P
N
L
K
E
L
E
Q
K
L
D
E
V
R
K
E
K
D
A
-
A
V
Q
S
Q
E
---------
F
E
K
A
A
S
L
R
D
T
E
Q
R
L
R
E
Q
V
E
D
T
K
K
S
W
K
E
-------------------
K
Q
G
--
Q
E
---
V
T
V
D
D
I
---------------------------------
A
M
V
V
S
S
W
T
-------
A
Q
T
E
T
D
K
L
L
N
M
E
N
I
L
H
S
R
V
I
G
Q
D
E
A
V
V
A
V
A
K
A
V
R
R
A
R
A
G
L
K
D
P
K
R
P
I
G
S
F
I
F
L
G
P
T
G
V
G
K
T
E
L
A
R
A
L
A
E
S
I
F
G
D
E
E
S
M
I
R
I
D
M
S
E
Y
M
E
K
H
S
T
S
-----------------
L
T
E
K
V
R
R
K
P
Y
S
V
V
L
L
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
V
L
E
D
G
R
L
T
-----
T
V
D
F
R
N
T
I
L
I
M
T
S
N
V
G
A
-----------
S
E
K
D
K
---
V
M
G
E
----
L
K
R
A
F
R
P
E
F
I
N
R
I
D
E
I
I
V
F
H
--
E
K
K
H
L
T
E
I
V
S
L
M
S
D
Q
L
T
K
R
L
K
E
Q
D
L
S
I
E
L
T
D
A
A
K
A
K
V
A
E
E
G
V
D
L
E
Y
G
A
R
P
L
R
R
A
I
Q
K
H
V
E
D
R
L
S
E
E
L
L
R
G
N
I
H
K
G
Q
H
I
V
L
D
V
E
D
G
E
F
V
V
K
T
T
-
83
HHSearch
77.57
39%
-89
- C6 -
1R6B
5
CLPA_ECOLI
X:
[1-739]
-----
M
L
N
Q
E
L
E
L
S
L
N
M
A
F
--
A
R
A
R
E
H
R
H
E
F
M
T
V
E
H
L
L
L
A
L
L
S
N
P
S
--
A
R
E
A
L
E
A
C
S
V
D
L
V
A
L
R
Q
E
L
E
A
F
I
E
Q
T
T
P
V
L
P
AS
E
E
E
R
--
D
T
Q
P
T
L
S
F
Q
R
V
L
Q
R
A
V
F
H
V
Q
S
S
G
R
N
E
V
T
G
A
N
V
L
V
A
I
F
S
E
Q
E
SQAA
Y
L
L
R
K
H
E
V
S
R
------
L
D
V
V
N
------
F
I
S
H
G
-----------------------
L
E
N
F
T
T
N
L
N
Q
L
A
R
V
G
G
I
D
P
L
I
G
R
E
K
E
L
E
R
A
I
Q
V
L
C
R
R
R
K
N
N
P
L
L
V
G
E
S
G
V
G
K
T
A
I
A
E
G
L
A
W
R
I
V
Q
G
D
V
P
E
V
M
A
D
C
T
I
Y
S
L
D
I
G
---
A
G
T
K
Y
R
G
D
F
E
K
R
F
K
A
L
L
K
Q
L
E
Q
D
-
T
N
-
S
I
L
F
I
D
E
I
H
T
I
I
G
A
G
A
A
S
G
G
Q
-
V
D
A
A
N
L
I
K
P
L
L
S
S
G
K
I
R
V
I
G
S
T
T
Y
Q
E
F
S
N
I
F
E
K
D
R
A
L
A
R
R
F
Q
K
I
D
I
T
E
P
S
I
E
E
T
V
Q
I
I
N
G
L
K
P
K
Y
E
A
H
H
D
V
R
Y
T
A
K
A
V
R
A
A
V
E
L
A
V
K
Y
I
N
D
R
H
L
P
D
K
A
I
D
V
I
D
E
A
G
A
R
A
R
L
M
P
V
S
K
R
-------------------------------------------------------------------------------------------------------------------------
K
K
T
V
N
V
A
D
I
E
S
V
V
A
R
I
A
R
I
P
E
K
S
V
S
Q
S
D
R
D
T
L
K
N
L
G
D
R
L
K
M
L
V
F
G
Q
D
K
A
I
E
A
L
T
E
A
I
K
M
A
R
A
G
L
G
H
E
H
K
P
V
G
S
F
L
F
A
G
P
T
G
V
G
K
T
E
V
T
V
Q
L
S
K
A
L
---
G
I
E
L
L
R
F
D
M
S
E
Y
M
E
R
H
T
V
S
R
L
I
G
A
P
P
G
Y
V
G
F
D
Q
G
G
L
L
T
D
A
V
I
K
H
P
H
A
V
L
L
L
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
V
M
D
N
G
T
L
T
D
N
N
G
R
K
A
D
F
R
N
V
V
L
V
M
T
T
N
A
G
V
R
------------------
A
M
E
E
----
I
K
K
I
F
T
P
E
F
R
N
R
L
D
N
I
I
W
F
D
H
L
S
T
D
V
I
H
Q
V
V
D
K
F
I
V
E
L
Q
V
Q
L
D
Q
K
G
V
S
L
E
V
S
Q
E
A
R
N
W
L
A
E
K
G
Y
D
R
A
M
G
A
R
P
M
A
R
V
I
Q
D
N
L
K
K
P
L
A
N
E
L
L
F
G
S
L
V
D
G
G
Q
V
T
V
A
L
D
K
E
K
N
E
L
T
Y
G
-
4
PsiBlast_PDB
63.60
57%
-99
- C4 -
4LJ5
1
A:
[6-320]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
T
E
E
D
I
A
E
I
V
S
R
W
T
G
I
P
V
S
K
L
L
----
E
K
L
L
R
L
E
E
E
L
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
-------
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
-
P
L
I
L
E
G
---
L
Q
K
G
W
P
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
G
P
A
G
L
V
F
A
V
P
-
22
PsiBlast_CBE
62.24
57%
-95
- C4 -
4LJ7
2
CLPB_THET8
B:
[34-320]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
L
R
L
E
E
E
L
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
Q
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
-
P
L
I
L
E
G
---
L
Q
K
G
W
P
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
G
P
A
G
L
V
F
A
V
P
-
11
PsiBlast_PDB
62.15
56%
-95
- C4 -
4FCV
1
CLPB_THET8
A:
[16-294]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
M
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
M
T
S
N
L
G
S
-
P
L
I
L
E
G
---
L
Q
K
G
W
P
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
M
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
G
P
A
G
L
V
F
A
V
P
-
21
PsiBlast_CBE
62.14
57%
-101
- C4 -
4LJ7
2
C:
[34-320]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
L
R
L
E
E
E
L
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
Q
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
------
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
-
P
L
I
L
E
G
---
L
Q
K
G
W
P
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
G
P
A
G
L
V
F
A
V
P
-
7
PsiBlast_PDB
61.93
57%
-94
- C4 -
4LJA
3
A:
[6-320]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
T
E
E
D
I
A
E
I
V
S
R
W
T
G
I
P
V
S
K
L
L
E
G
E
----
L
R
L
E
E
E
L
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
Q
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
-------
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
-
P
L
I
L
E
G
---
L
Q
K
G
W
P
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
G
P
A
G
L
V
F
A
V
P
-
5
PsiBlast_PDB
61.93
57%
-95
- C4 -
4LJ7
2
CLPB_THET8
A:
[30-320]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
R
E
K
L
L
R
L
E
E
E
L
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
Q
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
-
P
L
I
L
E
G
---
L
Q
K
G
W
P
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
G
P
A
G
L
V
F
A
V
P
-
12
PsiBlast_PDB
61.66
56%
-96
- C4 -
4FCW
1
CLPB_THET8
A:
[16-294]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
M
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
M
T
S
N
L
G
S
-
P
L
I
L
E
G
---
L
Q
K
G
W
P
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
M
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
G
P
A
G
L
V
F
A
V
P
-
23
PsiBlast_CBE
61.62
57%
-98
- C4 -
4FD2
1
D:
[13-291]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
-
P
L
I
L
E
G
---
L
Q
K
G
W
P
Y
E
R
I
R
D
E
VFKV
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
G
P
A
G
L
V
F
A
V
P
-
24
PsiBlast_CBE
61.53
57%
-98
- C4 -
4FD2
1
CLPB_THET8
B:
[13-291]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
-
P
L
I
L
E
G
---
L
Q
K
G
W
P
Y
E
R
I
R
D
E
VFKV
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
G
P
A
G
L
V
F
A
V
P
-
2
PsiBlast_PDB
61.40
52%
-63
- C5 -
4HSE
3
CLPB_THET8
A:
[14-395]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
A
L
E
Q
Y
G
I
D
L
T
R
L
A
A
E
G
K
L
D
P
V
I
G
R
D
E
E
I
R
R
V
I
Q
I
L
L
R
R
T
K
N
N
P
V
L
I
G
E
P
G
V
G
K
T
A
I
V
E
G
L
A
Q
R
I
V
K
G
D
V
P
E
G
L
K
G
K
R
I
V
S
L
Q
M
G
S
L
L
A
G
A
K
Y
R
G
E
F
E
E
R
L
K
A
V
I
Q
E
V
V
Q
S
Q
G
E
-
V
I
L
F
I
D
E
L
H
T
V
V
G
A
--------
V
D
A
G
N
M
L
K
P
A
L
A
R
G
E
L
R
L
I
G
A
T
T
L
D
E
Y
R
E
-
I
E
K
D
P
A
L
E
R
R
F
Q
P
V
Y
V
D
E
P
T
V
E
E
T
I
S
I
L
R
G
L
K
E
K
Y
E
V
H
H
G
V
R
I
S
D
S
A
I
I
A
A
A
T
L
S
H
R
Y
I
T
E
R
R
L
P
D
K
A
I
D
L
I
D
E
A
A
A
R
L
R
M
A
L
E
S
A
P
E
E
I
D
A
L
E
R
K
K
L
Q
L
E
I
E
R
E
A
L
-------
S
Q
E
R
L
K
A
I
E
A
E
I
A
K
L
T
E
E
I
A
K
L
R
A
E
W
E
R
E
R
E
I
L
R
K
L
R
E
A
Q
H
R
L
D
E
V
R
R
E
I
E
L
A
E
R
Q
Y
D
L
N
R
A
A
E
L
R
Y
G
E
L
P
K
L
E
A
E
V
E
A
L
S
E
K
L
----
R
G
A
R
F
V
R
L
E
V
T
E
E
D
I
A
E
I
V
S
R
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
61.20
57%
-96
- C4 -
4FD2
1
CLPB_THET8
A:
[13-291]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
-
P
L
I
L
E
G
---
L
Q
K
G
W
P
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
G
P
A
G
L
V
F
A
V
P
-
6
PsiBlast_PDB
61.20
57%
-88
- C4 -
4LJ9
3
A:
[6-320]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
T
E
E
D
I
A
E
I
V
S
R
W
T
G
I
P
V
S
K
L
L
E
G
E
R
E
K
L
L
R
L
E
E
E
L
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
Q
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
A
P
P
G
Y
V
G
Y
E
E
G
G
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
-
P
L
I
L
E
G
---
L
Q
K
G
W
P
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
G
P
A
G
L
V
F
A
V
P
-
9
PsiBlast_PDB
60.42
57%
-99
- C4 -
4FCT
-
CLPB_THET8
A:
[557-835]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
--------------
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
A
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
-
P
L
I
L
E
G
---
L
Q
K
G
W
P
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
---------------
3
PsiBlast_PDB
60.42
57%
-97
* C4 *
4LJ4
1
A:
[6-320]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
T
E
E
D
I
A
E
I
V
S
R
W
T
G
I
P
V
S
K
L
L
E
G
E
-
E
K
L
L
R
L
E
E
E
L
H
K
R
V
V
G
Q
D
E
A
I
R
A
V
A
D
A
I
R
R
A
R
A
G
L
K
D
P
N
R
P
I
G
S
F
L
F
L
G
P
T
G
V
G
K
T
E
L
A
K
T
L
A
A
T
L
F
D
T
E
E
A
M
I
R
I
D
M
T
E
Y
M
E
K
H
A
V
S
R
L
I
G
------------
Q
L
T
E
A
V
R
R
R
P
Y
S
V
I
L
F
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
I
L
D
D
G
R
L
T
D
S
H
G
R
T
V
D
F
R
N
T
V
I
I
L
T
S
N
L
G
S
-
P
L
I
L
E
G
---
L
Q
K
G
W
P
Y
E
R
I
R
D
E
V
F
K
V
L
Q
Q
H
F
R
P
E
F
L
N
R
L
D
E
I
V
V
F
R
P
L
T
K
E
Q
I
R
Q
I
V
E
I
Q
L
S
Y
L
R
A
R
L
A
E
K
R
I
S
L
E
L
T
E
A
A
K
D
F
L
A
E
R
G
Y
D
P
V
F
G
A
R
P
L
R
R
V
I
Q
R
E
L
E
T
P
L
A
Q
K
I
L
A
G
E
V
K
E
G
D
R
V
Q
V
D
V
G
P
A
G
L
V
F
A
V
P
-
15
PsiBlast_PDB
55.61
37%
-81
- C6 -
1R6B
2
CLPA_ECOLI
X:
[2-423]
------
L
N
Q
E
L
E
L
S
L
N
M
A
F
--
A
R
A
R
E
H
R
H
E
F
M
T
V
E
H
L
L
L
A
L
L
S
N
P
S
A
R
--
E
A
L
E
A
C
S
V
D
L
V
A
L
R
Q
E
L
E
A
F
I
E
Q
T
T
P
V
L
P
--
A
S
E
E
ER
D
T
Q
P
T
L
S
F
Q
R
V
L
Q
R
A
V
F
H
V
Q
S
S
G
R
N
E
V
T
G
A
N
V
L
V
A
I
F
S
E
Q
E
----
S
Q
A
A
Y
L
-
L
R
K
------
H
E
V
S
R
LDVVNF
I
S
H
G
------------------------
L
E
N
F
T
T
N
L
N
Q
L
A
R
V
G
G
I
D
P
L
I
G
R
E
K
E
L
E
R
A
I
Q
V
L
C
R
R
R
K
N
N
P
L
L
V
G
E
S
G
V
G
K
T
A
I
A
E
G
L
A
W
R
I
V
Q
G
D
V
P
E
V
M
A
D
C
T
I
Y
S
L
D
I
G
---
A
G
T
K
Y
R
G
D
F
E
K
R
F
K
A
L
L
K
Q
L
E
Q
D
-
T
N
-
S
I
L
F
I
D
E
I
H
T
I
I
G
A
G
A
A
-
S
G
G
Q
V
D
A
A
N
L
I
K
P
L
L
S
S
G
K
I
R
V
I
G
S
T
T
Y
Q
E
F
S
N
I
F
E
K
D
R
A
L
A
R
R
F
Q
K
I
D
I
T
E
P
S
I
E
E
T
V
Q
I
I
N
G
L
K
P
K
Y
E
A
H
H
D
V
R
Y
T
A
K
A
V
R
A
A
V
E
L
A
V
K
Y
I
N
D
R
H
L
P
D
K
A
I
D
V
I
D
E
A
G
A
R
A
R
L
M
P
V
S
K
R
K
K
T
V
N
V
A
D
I
E
S
V
V
A
R
I
A
R
I
P
E
K
S
V
S
Q
S
D
R
D
T
L
K
N
L
G
D
R
L
K
M
L
V
F
G
Q
D
K
A
I
E
A
L
T
E
A
I
K
M
A
R
A
G
L
G
H
E
H
K
P
V
G
S
F
L
F
A
G
P
T
G
V
G
K
T
E
V
T
V
Q
L
S
K
A
L
G
I
E
L
L
R
F
D
M
S
E
Y
M
E
R
H
T
V
S
R
L
I
G
A
P
P
G
Y
V
G
F
D
Q
G
G
L
L
T
D
A
V
I
K
H
P
H
A
V
L
L
L
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
V
M
D
N
G
T
L
T
D
N
N
G
R
K
A
D
F
R
N
V
V
L
V
M
T
T
N
A
G
V
R
A
M
E
E
I
K
K
I
F
T
P
E
F
R
N
R
L
D
N
I
I
W
F
D
H
L
S
T
D
V
I
H
Q
V
V
D
K
F
I
V
E
L
Q
V
Q
L
D
Q
K
G
V
S
L
E
V
S
Q
E
A
R
N
W
L
A
E
K
G
Y
D
R
A
M
G
A
R
P
M
A
R
V
I
Q
D
N
L
K
K
P
L
A
N
E
L
L
F
G
S
L
V
D
G
G
Q
V
T
V
A
L
D
K
E
K
N
E
L
T
Y
G
F
Q
S
A
Q
K
---------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
54.82
37%
-84
- C6 -
1KSF
8
CLPA_ECOLI
X:
[2-423]
------
L
N
Q
E
L
E
L
S
L
N
M
A
F
--
A
R
A
R
E
H
R
H
E
F
M
T
V
E
H
L
L
L
A
L
L
S
N
P
S
A
R
--
E
A
L
E
A
C
S
V
D
L
V
A
L
R
Q
E
L
E
A
F
I
E
Q
T
T
P
V
L
P
--
A
S
E
E
ER
D
T
Q
P
T
L
S
F
Q
R
V
L
Q
R
A
V
F
H
V
Q
S
S
G
R
N
E
V
T
G
A
N
V
L
V
A
I
F
S
E
Q
E
----
S
Q
A
A
Y
L
-
L
R
K
------
H
E
V
S
R
LDVVNF
I
S
H
G
T
---
R
-------------------
L
E
N
F
T
T
N
L
N
Q
L
A
R
V
G
G
I
D
P
L
I
G
R
E
K
E
L
E
R
A
I
Q
V
L
C
R
R
R
K
N
N
P
L
L
V
G
E
S
G
V
G
K
T
A
I
A
E
G
L
A
W
R
I
V
Q
G
D
V
P
E
V
M
A
D
C
T
I
Y
S
L
D
I
G
---
A
G
T
K
Y
R
G
D
F
E
K
R
F
K
A
L
L
K
Q
L
E
Q
D
-
T
N
-
S
I
L
F
I
D
E
I
H
T
I
I
G
A
G
A
A
-
S
G
G
Q
V
D
A
A
N
L
I
K
P
L
L
S
S
G
K
I
R
V
I
G
S
T
T
Y
Q
E
F
S
N
I
F
E
K
D
R
A
L
A
R
R
F
Q
K
I
D
I
T
E
P
S
I
E
E
T
V
Q
I
I
N
G
L
K
P
K
Y
E
A
H
H
D
V
R
Y
T
A
K
A
V
R
A
A
V
E
L
A
V
K
Y
I
N
D
R
H
L
P
D
K
A
I
D
V
I
D
E
A
G
A
R
A
R
L
M
P
V
S
K
R
K
K
T
V
N
V
A
D
I
E
S
V
V
A
R
I
A
R
I
P
E
K
S
V
S
Q
S
D
R
D
T
L
K
N
L
G
D
R
L
K
M
L
V
F
G
Q
D
K
A
I
E
A
L
T
E
A
I
K
M
A
R
A
G
L
G
H
E
H
K
P
V
G
S
F
L
F
A
G
P
T
G
V
G
K
T
E
V
T
V
Q
L
S
K
A
L
G
I
E
L
L
R
F
D
M
S
E
Y
M
E
R
H
T
V
S
R
L
I
G
A
P
P
G
Y
V
G
F
D
Q
G
G
L
L
T
D
A
V
I
K
H
P
H
A
V
L
L
L
D
E
I
E
K
A
H
P
D
V
F
N
I
L
L
Q
V
M
D
N
G
T
L
T
D
N
N
G
R
K
A
D
F
R
N
V
V
L
V
M
T
T
N
A
G
V
R
N
S
T
D
A
M
E
E
I
K
K
I
F
T
P
E
F
R
N
R
L
D
N
I
I
W
F
D
H
L
S
T
D
V
I
H
Q
V
V
D
K
F
I
V
E
L
Q
V
Q
L
D
Q
K
G
V
S
L
E
V
S
Q
E
A
R
N
W
L
A
E
K
G
Y
D
R
A
M
G
A
R
P
M
A
R
V
I
Q
D
N
L
K
K
P
L
A
N
E
L
L
F
G
S
L
V
D
G
G
Q
V
T
V
A
L
D
K
E
K
N
E
L
T
Y
G
F
Q
S
A
Q
K
H
K
---
A
E
----------------------------------------------------------------------------------------------------------------------------------