Space-filling discrete helices
Proteins are linear chain molecules that play a central role in life and health. Protein native state folds are modular assemblies of space-filling building blocks of α-helices, β-sheets, and tight turns. Here, we deduce the structures of a countable set of space-filling helical forms of a uniform discrete thick string from first principles with no additional input or adjustable parameters. These forms occur in correspondence with the natural numbers, loosely analogous to the energy levels in a Bohr atom. We find the remarkable result that one of these helical forms is an excellent candidate for an α-helix through seemingly improbable quantum chemistry coincidences that fit the geometrical requirements. Our work suggests that geometry and chemistry are complementary ways of looking at proteins and suggests a route for developing a unified framework for understanding proteins.
Authors
- Achille Giacometti
- Jayanth R. Banavar (ORCID: https://orcid.org/0000-0002-9752-6871)
- Trịnh Xuân Hoàng (ORCID: https://orcid.org/0000-0002-2672-562X)
- Amos Maritan (ORCID: https://orcid.org/0000-0002-3535-7873)
- Tatjana Škrbić (ORCID: https://orcid.org/0000-0002-8947-8216)
Institutions
- Oregon Research Institute (US)
- University of Padua (IT)
- Ca' Foscari University of Venice (IT)
- University of Oregon (US)
- European Centre for Living Technology (IT)
- Vietnam Academy of Science and Technology (VN)
Publication Details
- Journal
- The Journal of Chemical Physics
- Published
- 2025-10-15
- DOI
- https://doi.org/10.1063/5.0295423
- Primary Topic
- Protein Structure and Dynamics
- Type
- article
- Field-Weighted Citation Impact
- 0.00