Table II.

Rosetta Energy Constituents of “Real2” and “Decoys2”

Rosetta energy term	Physical meaning	μreal2	μdecoys2	Δreal2-decoys2	p-value
fa_atr	Lennard-Jones attractive	−285.29	−283.05	−2.24	2.96E-04
fa_rep	Lennard-Jones repulsive	27.01	25.76	1.24	<2.20E-16
fa_sol	solvation energy	126.78	124.80	1.98	1.28E-06
fa_intra_rep	Intraresidue LJ repulsive	0.70	0.75	−0.04	<2.20E-16
pro_close	Proline ring closure	0.05	0.02	0.02	<2.20E-16
fa_pair	Statistical pair energy	−10.27	−9.86	−0.41	2.88E-03
hbond_sr_bb	Backbone-backbone hbonds close in primary sequence	−15.27	−15.26	−0.01	0.94
hbond_lr_bb	Backbone-backbone hbonds distant in primary sequence	−27.09	−28.05	0.96	6.15E-03
hbond_bb_sc	Side chain-backbone hydrogen bond energy	−7.88	−5.49	−2.39	<2.20E-16
hbond_sc	Side chain-side chain hydrogen bond energy	−7.52	−7.60	0.08	0.54
Rama	Ramachandran energy	−7.50	−6.09	−1.41	<2.20E-16
Omega	Omega dihedral energy	4.80	5.79	−0.99	<2.20E-16
fa_dun	Internal energy of sidechain rotamers	38.03	39.37	−1.33	3.97E-12
p_aa_pp	Amino acid Phi-Psi statistical energy	−10.24	−9.11	−1.13	<2.20E-16
ref	Amino acid reference energy	−14.59	−12.77	−1.81	1.65E-14
Total	Sum of all terms	−188.29	−180.80	−7.49	<2.20E-16

For the energy constituents of “real,” “decoys,” and “random,” see Supporting Information Table S1.