The turn less taken: Investigating patterns in β-turn dynamics using large-scale molecular dynamics data

{beta}-turns are among the most common structural motifs in proteins, yet their conformational dynamics and sequence determinants remain incompletely understood. Here we present a data-driven classification and dynamic analysis of {beta}-turn conformations using large-scale molecular dynamics trajectories from the mdCATH database. Clustering of backbone dihedral angles using a cross-bond Ramachandran representation identifies six {beta}-turn types, including a previously uncharacterized hybrid I/I' cluster that combines geometric features of canonical type I and I' conformations. Time-resolved analysis indicates that this hybrid state acts as a transient intermediate state of {beta}-turns. T