Residue  TvdW  Telec  Tpol  Tnp  Tside_chain  Tbackbone  Ttotal
RdRp/Remdesivir
Asp761  1.05  −21.73  18.81  −0.14  −1.82  −0.19  −2.01
Lys798  −2.74  −4.28  5.74  −0.47  −1.76  0.01  −1.75
Pro620  −1.42  −1.15  1.16  −0.18  −1.26  −0.33  −1.59
Asp760  −0.57  −4.27  4.24  −0.12  −0.20  −0.52  −0.72
Arg553  −2.07  −3.71  5.61  −0.51  −0.76  0.08  −0.68
RdRp/EGCG
Asp452  1.65  −16.48  9.85  −0.08  −5.15  0.09  −5.06
Arg553  −3.83  −4.84  6.59  −0.59  −2.68  0.01  −2.67
Pro620  −1.64  −0.41  0.51  −0.33  −1.62  −0.25  −1.87
Asp618  0.49  −8.14  6.66  −0.09  −1.13  −0.05  −1.08
Lys621  −2.26  −5.12  6.92  −0.50  −0.87  −0.09  −0.96
RdRp/TF3
Asp761  2.52  −30.13  22.11  −0.25  −5.54  −0.21  −5.75
Arg836  −0.83  −14.95  12.29  −0.37  −3.85  −0.01  −3.86
Arg555  −5.80  −4.00  7.29  −0.70  −2.98  −0.23  −3.21
Thr556  −0.20  −3.96  2.44  −0.13  −0.21  −1.64  −1.85
Ile548  −1.03  −0.08  0.12  −0.13  −0.65  −0.47  −1.12
Ser814  −1.67  0.09  0.78  −0.08  −0.48  −0.40  −0.88
Val557  −0.65  −0.16  0.17  −0.24  −0.65  −0.23  −0.88
RdRp/TF2b
His816  −3.00  −0.81  1.69  −0.32  −1.63  −0.81  −2.44
Asp833  −1.29  −0.23  0.46  −0.18  −0.21  −1.03  −1.24
Tyr877  −0.92  −2.06  2.06  −0.27  −0.43  −0.76  −1.19
Glu811  0.22  −9.24  8.11  −0.13  −2.07  1.03  −1.04
His810  −1.88  −0.41  1.66  −0.34  −0.10  −0.85  −0.95
Tyr831  −1.51  −0.36  1.19  −0.13  −0.21  −0.60  −0.81
Asn815  −0.60  −0.27  0.09  −0.01  −0.25  −0.54  −0.79
RdRp/TF2a
Asp618  2.63  −20.71  13.40  −0.17  −4.84  −0.01  −4.85
Arg553  −3.80  −6.52  7.55  −0.69  −2.68  −0.78  −3.46
Lys551  −2.23  −0.80  2.23  −0.45  −0.84  −0.41  −1.25
Arg555  −1.33  −0.62  1.05  −0.27  −1.12  −0.05  −1.17
Glu167  0.42  −6.82  5.92  −0.12  −0.61  0.01  −0.60