Ly-Algebra 5-Fold Supercell Protein Design: AlphaFold2 Validation of a Novel 20-Residue TrpCage Scaffold with 94.89 Mean pLDDT Across 5 Independent Models

Abstract

AlphaFold2 structure prediction results for a novel 20-residue protein scaffold designed using the Ly-Algebra 5-Fold Symmetry Platform. The top-ranked model achieved mean pLDDT of 94.89, with 90% of residues scoring above 90 and 70% above 95. Ensemble mean pLDDT across 5 models was 91.52. Mean PAE for best model 2.234 Angstroms. First computational validation of a biologically-targeted Ly-Algebra design.