(up to 832 kJ/mol for 2AK3 with 226 amino acids), they are below 5 kJ/mol per amino acid in all considered test cases. Moreover, in a comparison of relative energies for ten conformers of 2LYW the MFCC-MBE( ) is able to predict their relative energies with good accuracy, while the conventional MFCC method fails to deliver the correct energetic ordering.