Beyond Homochirality: Computer Modeling Hints of Heterochiral Proteins in Early and Extraterrestrial Life

Agent-based simulations are set to describe the early biotic selection of oligomers made of monomers of different chirality. The simulations consider the spatial distribution of agents and resources, the balance of biomass of different chirality, and the balance of chemical energy. Following the well-known Wald's hypothesis, a disadvantage is attributed to the change in chirality along the biochemical sequence. A racemic amino acid budget is considered, based on findings in meteorites and the results of Miller's experiments. It is also hypothesized that the very first life forms were heterotrophic. Given these assumptions, our simulations showed that biological sequences were not strictly homochiral and had few chirality changes. These results suggest that the current dominance of homochiral species may have been preceded by a more structurally varied biochemistry. This might be reflected in the few known heterochiral proteins, whose structures are based neither on alpha-helices nor on beta-sheets. Extraterrestrial life forms might be based on such heterochiral proteins.