Fig. 7

Number of positive labels for each residue of 10 randomly-selected structures. IF-SitePred predicted fewer residues incorrectly as ligand-binding. The frequencies of correctly-labelled (solid colour) and incorrectly-labelled (translucent) residues across 10 randomly-selected MD structures of the same protein are shown. Non-ligand-binding residues were most likely to be incorrectly labelled as ligand-binding in 0 or 1 structure, whereas ligand-binding residues had a roughly equal likelihood of being labelled as ligand-binding up to 10 times. IF-SitePred consistently had a lower rate of labelling non-ligand-binding residues as ligand-binding, with only a small reduction in the number of correctly-labelled ligand-binding residues compared to other methods