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. 2021 Sep 17;29(1):526–533. doi: 10.1016/j.sjbs.2021.09.028

Table 2.

Effect of mutations on PLPro stability predicted by the molecular dynamic simulations.

System RMSD (nm) RMSF (nm) Rg (nm) SASA (nm2)
WT 0.17 ± 0.04 0.10 ± 0.05 2.32 ± 0.02 165.53 ± 1.21
D108G 0.18 ± 0.02 0.10 ± 0.05 2.35 ± 0.02 167.00 ± 1.27
A249V 0.19 ± 0.02 0.09 ± 0.04 2.31 ± 0.01 162.92 ± 1.18