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Projections of the distribution of the simulated systems onto the subspace defined by the largest principal components.
| Simulated systems | Variance in Cα atomic fluctuations (%) |
||
|---|---|---|---|
| PC1 | PC2 | PC3-PC20 | |
| apo-Mpro | 23.7 | 15.1 | <8.7 |
| Lig13b-Mpro | 24.3 | 12.9 | <9.0 |
| α-KI-Mpro | 21.4 | 10.4 | <9.0 |
| Pentagastrin-Mpro | 21.7 | 13.0 | <9.9 |
| Isavuconazonium-Mpro | 34.0 | 13.5 | <6.5 |
