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Structural motif search across the protein-universe with Folddisco

Kim, H.; Kim, R. S.; Mirdita, M.; Steinegger, M.

2025-07-06 bioinformatics
10.1101/2025.07.06.663357 bioRxiv
Show abstract

Detecting similar protein structural motifs, functionally crucial short 3D patterns, in large structure collections is computationally prohibitive. Therefore, we developed Folddisco, which overcomes this through an index of position-independent geometric features, including side-chain orientation, combined with a rarity-based scoring system. Folddiscos compact 1.45-terabyte index of 53 million AFDB50 structures enables querying this database within seconds. It is 20-fold faster in querying and 4-fold more storage-efficient than existing methods. Folddisco is more accurate and storage-efficient than state-of-the-art methods, while being an order of magnitude faster. Folddisco is free software available at folddisco.foldseek.com and a webserver at search.foldseek.com/folddisco.

Published in Nature Biotechnology (predicted rank #9) · training set

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The top 2 journals account for 50% of the predicted probability mass.

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"Similar papers" are the closest papers from that journal in the model's embedding space. They show what the match is built on, but the ranking comes mostly from a classifier over the whole training set, not from these examples alone.