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. 2020 Oct 30;8:584894. doi: 10.3389/fchem.2020.584894

Table 2.

The average distances of all the hydrogen bond formed between the MAW-22 and Covid-19 polymerase through the entire 150 ns MD simulation.

Hydrogen bond name Average distance (A0) ± SD
Hydrogen bond with Alanine 558 2.15 ± 0.11
Hydrogen bond with Serine 682 2.0 ± 0.07
Hydrogen bond with Serine 682 2.05 ± 0.15
Hydrogen bond with Threonine 556 2.21 ± 0.1
Hydrogen bond with Threonine 556 3.0 ± 0.09
Hydrogen bond with Arginine 553 2.32 ± 0.12
Hydrogen bond with Aspartic acid 760 2.37 ± 0.1
Hydrogen bond with Threonine 680 1.85 ± 0.2
Hydrogen bond with Threonine 680 1.8 ± 0.13