Entry | Main protease 1IYL | Main protease 2Y7L | ||||||
Binding affinity | H-bond (no.) | Hydrophobic bond (no.) | Interaction type | Binding affinity | H-bond (no.) | Hydrophobic bond (no.) | Interaction type | |
1 | −6.5 | 5 | 1 | H, PS | −6.1 | − | 1 | PPT |
2 | −8.8 | 4 | 7 | H, PS, PPT, PA | −9.0 | − | 6 | PPS, PA |
3 | −9.8 | 2 | 15 | H, C, PS, PPS, PPT, A, PA | −8.6 | 3 | 10 | H, C, PS, A, PA |
4 | −9.7 | 1 | 14 | PS, PPS, PPT, A, PA | −9.3 | 3 | 12 | H, C, PS, PPS, A, PA |
5 | −9.2 | − | 11 | PS, PPT, A, PA | −8.1 | 3 | 7 | H, PS, A, PA |
6 | −8.7 | 1 | 13 | H, PS, PPS, PPT, A, PA | −8.5 | − | 14 | A |
7 | −11.2 | 1 | 11 | H, PS, PPS, PPT, A, PA | −9.7 | − | 8 | PS, PPS, A, PA |
Fluconazole | −7.9 | 5 | 6 | H, C, PPT, PA | −7.0 | 4 | 4 | H, C, PS, PPS, PA, PPT |
Voriconazole | −8.3 | 5 | 8 | H, C, PPT, PPS, PA | −7.7 | 3 | 4 | H, C, PPS, PA |