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. 2022 Sep 24;150:106125. doi: 10.1016/j.compbiomed.2022.106125

Table 2.

Residue-wise H bond persistence score of Theaflavin digallate and main protease during 10 independent metadynamics runs of 10 ns each.

Mean Persistence score of ten independent run Residue involved
0.282 Glutamate166
0.009 Arginine188
0.427 Threonine190
0.145 Threonine190
0.082 Threonine26
0.027 Glycine143
Mean:0.162