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.

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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
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article

Space-filling discrete helices

Achille Giacometti, Jayanth R. Banavar, Trịnh Xuân Hoàng, Amos Maritan et al.
The Journal of Chemical Physics
Protein Structure and Dynamics
article

Space-filling discrete helices

Achille Giacometti, Jayanth R. Banavar, Trịnh Xuân Hoàng, Amos Maritan, Tatjana Škrbić
article en

Abstract

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.

The Journal of Chemical PhysicsVol. 163(15)
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)
Openalex Percentile: Top 74%
Protein Structure and Dynamics
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Space-filling discrete helices — Achille Giacometti, Jayanth R. Banavar, et al. · The Journal of Chemical Physics (2025) | TGRS Research Map | TGRS