PRONOX: Spin Labeling of Proteins
The entries are the recommended defaults.
Enter amino acid number for the two label sites (up to 9999). Note that the protein numbering is assumed to start from 1 and any gaps are ignored.
All the defaults can be changed as follows:
vdW: cut-off for clashes; a smaller number relaxes the clash criterion. Enter with two decimal places
Initial Torsion Angle: starting torsion angle for Chi1 - Chi 5: enter any integer
Weight: Bias for favored torsion angles Chi1 and Chi 2. Enter with one decimal place. Enter 'No' to switch off this option (entry of 'No' for one label eliminates the option for both)
Glycine: Enter 'Yes' if the amino acid at the site to be labelled is a Glycine
Fine Search: Enter 'Yes' to switch on the 'Fine Search' option for any torsion angle (mainly useful for Chi1 and Chi2; cannot be used with i1, i2, etc. > 9)
Web page last updated: 3/26/2014