A systematic analysis of the beta hairpin motif in the Protein Data Bank

Published: Oct. 28, 2020, 3:01 a.m.

Link to bioRxiv paper: http://biorxiv.org/cgi/content/short/2020.10.28.359612v1?rss=1 Authors: DuPai, C. D., Davies, B. W., Wilke, C. O. Abstract: The beta hairpin motif is a ubiquitous protein structural motif that can be found in molecules across the tree of life. This motif, which is also popular in synthetically designed proteins and peptides, is known for its stability and adaptability to broad functions. Here we systematically probe all 49,000 unique beta hairpin substructures contained within the Protein Data Bank (PDB) to uncover key characteristics correlated with stable beta hairpin structure, including amino acid biases and enriched inter-strand contacts. We also establish a set of broad design principles that can be applied to the generation of libraries encoding proteins or peptides containing beta hairpin structures. Copy rights belong to original authors. Visit the link for more info