LoL-align: sensitive and fast probabilistic protein structure alignment

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Abstract

The ubiquitous availability of protein structures permits replacing sequence alignment with more accurate and sensitive structure alignment algorithms. LoL-align maximizes a lo cal log-odds score for proteins to be homologous, given their intra-protein C α C α distances. LoL-align is markedly more sensitive in detecting remote homologs than TMalign and DALI on single- and multi-domain benchmarks and achieves better alignment quality at 5-20× their speed. LoL-align is fully integrated into Foldseek.

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