Fig. 18.

The Residue Analysis tool in Ponderosa Analyzer provides visual representation of the properties of amino acid residues plotted by sequence number. a Examples of structure-based properties derived from the 20 best models from the structure determination. b List of the features supported by structure-based analysis and chemical shift-based prediction. c Examples of chemical shift-based predictions. Secondary structure and random coil index (S2) values from TALOS-N based on backbone chemical shifts. The user can compare properties predicted from the backbone chemical shifts with those from the calculated structures