Computational discovery and systematic analysis of protein entangling motifs in nature: from algorithm to database

Nontrivial protein topology has the potential to revolutionize protein engineering by enabling the manipulation of proteins' stability and dynamics. However, the rarity of topological proteins in nature poses a challenge for their design, synthesis and application, primarily due to the limited number of available entangling motifs as synthetic templates. Discovering these motifs is particularly difficult, as entanglement is a subtle structural feature that is not readily discernible from protein...