English

The Discrete Frenet Frame, Inflection Point Solitons And Curve Visualization with Applications to Folded Proteins

Biomolecules 2015-05-27 v1 Soft Condensed Matter High Energy Physics - Theory Biological Physics

Abstract

We develop a transfer matrix formalism to visualize the framing of discrete piecewise linear curves in three dimensional space. Our approach is based on the concept of an intrinsically discrete curve, which enables us to more effectively describe curves that in the limit where the length of line segments vanishes approach fractal structures in lieu of continuous curves. We verify that in the case of differentiable curves the continuum limit of our discrete equation does reproduce the generalized Frenet equation. As an application we consider folded proteins, their Hausdorff dimension is known to be fractal. We explain how to employ the orientation of CβC_\beta carbons of amino acids along a protein backbone to introduce a preferred framing along the backbone. By analyzing the experimentally resolved fold geometries in the Protein Data Bank we observe that this CβC_\beta framing relates intimately to the discrete Frenet framing. We also explain how inflection points can be located in the loops, and clarify their distinctive r\^ole in determining the loop structure of foldel proteins.

Keywords

Cite

@article{arxiv.1102.5658,
  title  = {The Discrete Frenet Frame, Inflection Point Solitons And Curve Visualization with Applications to Folded Proteins},
  author = {Shuangwei Hu and Martin Lundgren and Antti J. Niemi},
  journal= {arXiv preprint arXiv:1102.5658},
  year   = {2015}
}

Comments

14 pages 12 figures