TABLE 5.

Match values and bootstrapping standard deviations for the prediction of the sign of the experimental activity differences by single point mutations of the peptide core amino acids. The results are for the combination of the additional methodologies with the SM-HB-BE matrix. The strategies are the sequence motif matrix, the machine learning tool NetMHCIIpan, the MD/scoring and backrub/scoring approaches, and the MM-PBSA calculations (see Methods).

Complementary strategy	Matched predictions in combination with the SM-HB-BE matrix
Sequence matrix	0.607 ± 0.062
NetMHCIIpan	0.714 ± 0.064
Backrub/scoring	0.786 ± 0.051
MD/scoring	0.857 ± 0.047
MM-PBSA	0.786 ± 0.048