Representation of Protein Entities (RoPE)

Representation of Protein Entities (RoPE) discerns protein conformational changes in a torsion angle-derived space, henceforth referred to as RoPE space. RoPE space's edge over atomic coordinate space lies in not only recognizing large domain or secondary structure movements but subtle, short-lived, infrequent fluctuations crucial in understanding and tracing protein dynamics beyond currently known (intermediate) states. Consequently, it finds correlations with the resolution of the data set, data collection temperature, space group and bound ligand, surpassing that of atomic coordinates-based tools.