Summary
Inverse folding methods can successfully distinguish between membrane and soluble beta barrels, and can design them with hydrophobic and hydrophilic residues in the right places (1). They demonstrated this with ProteinMPNN.
Details
Before this preprint was released, ProteinMPNN was said to fail at designing transmembrane beta barrels in Hermosilla et al.’s NeurIPS 2023 talk, despite designing sequences that pass all tests; the presenter suspected it was because successful designs do not occupy the ground state, which is an aggregated state.
Figures
Figure 2 from (1)
See also
1.
Dolorfino M, Samanta R, Vorobieva A. ProteinMPNN Recovers Complex Sequence Properties of Transmembrane β-barrels. openRxiv; 2024. Available from: https://doi.org/10.1101/2024.01.16.575764