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F-distance of knotoids and protein structure

Research output: Contribution to journalArticlepeer-review

Abstract

Recent studies classify the topology of proteins by analysing the distribution of their projections using knotoids. The approximation of this distribution depends on the number of projection directions that are sampled. Here, we investigate the relation between knotoids differing only by small perturbations of the direction of projection. Since such knotoids are connected by at most a single forbidden move, we characterize forbidden moves in terms of equivariant band attachment between strongly invertible knots and of strand passages between θ-curves. This allows for the determination of the optimal sample size needed to produce a well-approximated knotoid distribution. Based on that and on topological properties of the distribution, we probe the depth of knotted proteins with the trefoil as the predominant knot type without using subchain analysis.

Original languageEnglish (US)
Article number20200893
JournalProceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
Volume477
Issue number2246
DOIs
StatePublished - Feb 3 2021
Externally publishedYes

Keywords

  • knotoid distance
  • knotoids
  • protein structure
  • protein topology
  • proteins
  • unknotting number

ASJC Scopus subject areas

  • General Mathematics
  • General Engineering
  • General Physics and Astronomy

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