I simple don't know where else so post this question. So I hope that some of you guys can help me.
I need a Database with protein experimental pKa values, with possibility to search for Cysteines and .pdb structure
Because, I have made a pymol script that predicts the pKa value for a cysteine very precise.
The model is described in:
"Predicting Reactivities of Protein Surface Cysteines as Part of a Strategy for Selective Multiple Labeling"
Maik H. Jacob, Dan Amir, Vladimir Ratner, Eugene Gussakowsky, and Elisha Haas*
Biochemistry 2005, 44, 13664-13672
With help from Maik, we got it to work very good. I got a pearson correlation coefficient of