Predicting interaction from PRE data

HADDOCK
,
1

Hi,

I am looking to use my paramagnetic relaxation enhancement data, in the form of peak intensity ratios (for oxidised and reduced MTSL tag) to model an interaction between my domains. Is it possible to feed in the values and have haddock weight the prediction by the intensity ratios? Or is it only possible to manually determine a cut off for active vs passive residues based on the ratios?

Thanks,
Paige.

2

you should transform your intensity ratios into distances and create an unambiguous restraint file to upload to the server (expert access required).

The format should follow the CNS/Xplor restraint format