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. 2022 Apr 14;114:108194. doi: 10.1016/j.jmgm.2022.108194

Table 3b.

Residue-wise interaction energies of the interfacial residues of ACE2 in RBD/ACE2 complex for the systems under study.

Residue WT Alpha Beta Gamma Delta
Glu22 −19.83 −20.93 −37.96 −42.19 −57.74
Glu23 −20.82 −29.77 −53.33 −76.61 −84.16
Glu24 −15.59 −14.19 −16.17 −15.88 −15.73
Thr27 −13.36 −12.33 −13.08 −12.29 −15.02
Asp30 −51.24 −55.64 −12.26 −64.51 −97.39
Lys31 −31.88 −30.84 −87.24 54.25 27.88
His34 −32.51 −32.69 −12.26 −15.59 −18.84
Glu35 −16.66 −22.56 −87.24 −94.12 −78.44
Glu37 −12.06 −79.44 −92.53 −70.72 −98.38
Asp38 −12.16 −50.41 −96.32 −86.23 −115.92
Tyr41 −12.06 −12.83 −12.65 −7.63 −10.51
Gln42 −12.16 −4.78 −7.16 −2.77 −8.45
Glu56 −24.91 −17.40 −37.09 −33.98 −40.61
Glu57 −35.16 −24.04 −48.73 −45.94 −54.36
Asp67 −21.14 −16.88 −53.30 −47.74 −48.85
Glu75 −6.01 −8.051 −104.24 −74.85 −49.54
Tyr83 −17.99 −12.30 −13.36 −12.49 −13.81