Figure 5
From: Protoss: a holistic approach to predict tautomers and protonation states in protein-ligand complexes
Frequencies of undesirable contacts in the predictions of YASARA, Protonate 3D and Protoss on the basis of a series of pure distance criteria. A contact is considered undesirable, if the distance between the respective atoms falls under the threshold given in the table on the left. The interaction schemes illustrate donor (D), hydrogen (H), and metal (M) atoms as well as the measured distances.