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Describing protein structure: a general algorithm yielding complete helicoidal parameters and a unique overall axis.

H Sklenar·C Etchebest·R Lavery
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Abstract

We present a general and mathematically rigorous algorithm which allows the helicoidal structure of a protein to be calculated starting from the atomic coordinates of its peptide backbone. This algorithm yields a unique curved axis which quantifies the folding of the backbone and a full set of helicoidal parameters describing the location of each peptide unit. The parameters obtained form a complete and independent set and can therefore be used for analyzing, comparing, or reconstructing protein backbone geometry. This algorithm has been implemented in a computer program named P-Curve. Several examples of its possible applications are discussed.

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H Sklenar, C Etchebest, R Lavery. 1989. Describing protein structure: a general algorithm yielding complete helicoidal parameters and a unique overall axis.. https://doi.org/10.1002/prot.340060105

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