Residue-scale validation: Receiver operating characteristic (ROC) curves for CS predictors derived by leave-1-out validation. The dashed black line at y=x corresponds to performance expected by chance. Top left = final predictor trained by stacking structure- and sequence-based models. Top middle = predictor trained only on structure-based features. Top right = predictor trained only on sequence-based features. Bottom left = theoretical maximum predictive power for a probability estimator (AUC = 0.98). Bottom middle = same algorithm as used for final predictor but with all features shuffled beforehand. Bottom right = CSPD model developed using metal-catalyzed oxidation (MCO) site data from E. coli. See also Fig EV3 and EV4. 