Ligand	HOMO	LUMO	SOMO	SOMO	J_I	J_A	J_HL	ΔSL
Amprenavir	−6.144	−1.174	−1.116	4.970	0.009	0.029	0.030	0.058
Asunaprevir	−5.844	−1.884	−1.852	3.960	0.032	0.015	0.035	0.032
Atazanavir	−6.318	−1.821	−1.807	4.498	0.022	0.006	0.023	0.013
Darunavir	−6.144	−1.175	−1.118	4.969	0.009	0.028	0.029	0.057
Fosamprenavir	−5.948	−1.015	−0.950	4.933	0.016	0.033	0.037	0.065
Indinavir	−6.257	−1.089	−1.077	5.168	0.058	0.006	0.058	0.012
Lopinavir	−6.551	−0.893	−0.913	6.658	0.008	0.009	0.012	0.020
Nelfinavir	−5.767	−1.733	−1.690	4.034	0.188	0.019	0.190	0.043
Ritonavir	−6.512	−1.463	−1.228	5.049	0.005	0.122	0.122	0.235
Saquinavir	−6.335	−2.650	−2.642	3.684	0.022	0.004	0.022	0.008
Telaprevir	−7.016	−2.616	−2.539	4.400	0.015	0.039	0.042	0.077
Tipranavir	−6.147	−2.659	−2.512	3.489	0.014	0.072	0.074	0.147