Table 1.

Left panel, cross-validation leave-one-out (LOO) data for the 83 proteins in the reference set and comparison of predicted and right panel, experimental CD spectra of eight test proteins

LOO reference set	RMSD	Test set (eight spectra)	RMSD
PDBMD2CD	0.940 (0.394)	PDBMD2CD	0.962 (0.496)
PDB2CD (SMP180)	1.026 (0.468)	PDB2CD (SMP180)	1.347 (0.443)
DICHROCALC	2.062 (1.111)	DICHROCALC	2.111 (1.596)
		SESCA – (DSSP-1 basis set)	1.055 (0.442)

The average RMSD values for PDBMD2CD, PDB2CD and DichroCalc for the LOO data, and included is SESCA for the test set of proteins (lowest values are the best and highlighted in bold). Standard deviations are given in brackets.