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What is hidden in the darkness? Characterization of AlphaFold structural space.

J. Durairaj, J. Pereira, M. Akdel, T. Schwede

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Abstract

The recent public release of the latest version of the AlphaFold database has given us access to over 200 million predicted protein structures. We use a "shape-mer" approach, a structural fragmentation method analogous to sequence k-mers, to describe these structures and look for novelties - both in terms of proteins with rare or novel structural composition and possible functional annotation of under-studied proteins. Data and code will be made available at https://github.com/TurtleTools/afdb-shapemer-darkness

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