PRONOX: Spin Labeling of Proteins

Torsion Increments Initial Torsion Angles Fine Search
Site vdW i1 i2 i3 i4 i5 Chi1 Chi2 Chi3 Chi4 Chi5 Weight Glycine i1 i2 i3 i4 i5
Label 1
Label 2

Instructions:

Default values are recommended.

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.

Torsion Increments: i1 - i5 are the number of positions for torsion angles Chi1 - Chi 5.

Initial Torsion Angle: starting torsion angle for Chi1 - Chi 5

Weight: Bias for favored torsion angles Chi1 and Chi 2. Enter with one decimal place. Set to '0.5' to switch off this option. If you use 0.5, set it for both.

Glycine: Click checkbox if the amino acid at the site to be labelled is a Glycine

Fine Search: Click checkbox to switch on the 'Fine Search' option for any torsion angle (mainly useful for Chi1 and Chi2; will not have any effect if the corresponding i value is greater than 9.)

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