Figure 6
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 series of combined angle/distance criteria. A contact is considered undesirable, if all four measured values fall under the thresholds 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 and angles.