Table 6.  Main hydrogen bond interactions formed by RdRp with remdesivir and polyphenols along with the corresponding average distance and percentage of occupancy determined using the trajectories of production simulations.
Acceptor  Donor  Avg. Distance (Å)  Occupancy (%)
RdRp/Remdesivir
Asp760@OD2  Lig@O7  2.66  19.46
Asp761@OD1  Lig@O7  2.65  17.70
Asp761@OD2  Lig@O6  2.63  16.86
Asp760@OD2  Lig@O6  2.65  16.65
Lig@O6  Ser759@OG  2.80  11.63
Asp760@OD1  Lig@O7  2.66  10.59
RdRp/EGCG
Asp618@OD1  Lig@O5  2.61  30.13
Asp618@OD1  Lig@O6  2.61  29.28
Asp618@OD2  Lig@O5  2.61  18.25
Asp618@OD2  Lig@O6  2.61  17.38
Asp760@OD1  Lig@O5  2.63  16.09
Tyr455@OH  Lig@O11  2.83  10.97
RdRp/TF3
Asp761@OD1  Lig@O11  2.61  69.84
Glu811@O  Lig@O10  2.76  58.43
Thr556@O  Lig@O3  2.72  56.95
Lig@O14  Arg836@NH2  2.83  52.66
Lig@O14  Arg836@NE  2.86  48.70
Asp761@OD2  Lig@O20  2.62  44.51
RdRp/TF2b
Pro832@O  Lig@O8  2.77  26.31
Lig@O11  Tyr877@OH  2.75  24.39
Glu811@OE1  Lig@O7  2.65  22.45
Glu811@OE2  Lig@O7  2.65  18.89
Asp833@OD2  Lig@O8  2.65  12.01
Asn874@OD1  Lig@O11  2.68  8.58
RdRp/TF2a
Asp618@OD1  Lig@O10  2.59  38.68
Asp618@OD1  Lig@O11  2.62  38.38
Asp760@O  Lig@O11  2.70  20.83
Asp618@OD2  Lig@O11  2.62  16.59
Asp618@OD2  Lig@O10  2.58  16.49
Asp618@OD1  Lig@O15  2.67  16.37