Although it has been predicted that chirality metrics such as the pseudoscalar Osipov-Pickup-Dunmur (OPD) index can exhibit “chiral zeros”, which occur when a chiral object is incorrectly assigned a chirality index value of zero, their occurrence in biomolecules remains underexplored. Here, the authors study the differences between OPD and another chirality measure, the Hausdorff Chirality Measure (HCM), in different systems, including single amino acids, subsets of protein structures, naturally occurring α-helices, and protein interaction sites, showing that chiral zeros are prevalent in all of those cases and that OPD is unsuitable for quantifying chirality in complex molecular structures with the exception of simple helicoids.
- Neel Moudgal
- Jessica Ma
- Nicholas A. Kotov