PDB Input
Input PDB file of the protein structure (Note: hydrogen atoms should be present ,
a prediction with 'non-protonated' PDB coordinate input will yield significantly degraded accuracy! )ubiq.pdb
Select this option to add hydrogen atoms to the PDB input
(see here for details),
note that the original hydrogen atoms, if present, will be replaced.
Prediction Options
Chemical Shift Data for Comparison (optional).
Optional input table of chemical shifts and sequence information. If this table
is given, the output produced by SPARTA+ will compare
the shifts in this input table and the corresponding predicted
chemical shifts.
The format of the input chemical shift table is described in the
TALOS Web Page. Example: ubiq.tab
BMRB NMR-Star format file.
In order to use NMR-Star format as input to SPARTA+, the BMRB file should
have chemical shift information and complete sequence information for a
single protein only. When input is supplied as a BMRB file, CYS residues
with a CB shift of 34ppm or less are assumed to be reduced, and HIS residues
in tables with a listed pH of 6.0 or less are assumed to be protonated.
Example: ubiq.str
Select this option to test the input chemical shifts,
and to apply an automated offset correction if needed.
Select this option to generate graphs of the SPARTA+ results in PDF
format. Examples of SPARTA graphics: sparta.pdf
(generated from PDB input only) and sparta_cs.pdf
(generated from both PDB input and chemical shift input).
Submission Details
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Calculation results will be sent via Email only (required)
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