prediction-of-allosteric-sites-and-mediating-interactions-through-bond-to-bond-propensities-data.zip
Benjamin Amor · Figshare · 2016
The zip file contains three directories: 1. test-set This directory contains the propensity and quantile scores for the 20 proteins in the allosteric test set. The PDB files used are included, as well as the details of the active-site ligand and the allosteric site residues. 2. rrin This directory contains the results from our analysis of residue-residue interaction networks. Each protein has four subdirectories 6, 7, 8, 10 corresponding to the results obtained from constructing RRINs with different cut-off radii. 2. reference-set This directory contains the results from our analysis of 100 reference proteins, which we have used to obtain reference quantiles to compare our test set against.