Table 3.

Binding affinity, conventional hydrogen bonds, and interacting residues of the different ACE2 domains reported to bind with the coronavirus spike protein and artemisinin.

ACE2 Allelic Variant	Intermolecular Interactions
	Interacting Residues in the Pocket Region of ACE2 Variant (Distance, Å)	Binding Affinity (kcal/mol)
rs4646116	Conventional H-Bond: Thr41 (2.219)	−6.2
	Pi Cation: Trp37 (4.044)
	Alkyl: Arg34 (4.897)
	Pi-Alkyl: Trp37 (4.394)
rs73635825	Conventional H-Bond: Ser13 (2.274), Ser13 (2.874)	−5.4
	Pi-Cation: Trp16 (4.328), Trp16 (4.514), Trp16 (4.105)
rs146676783	Conventional H-Bond: Asn53 (2.258), Ala41 (3.359), Asn53 (3.104)	−5.2
	Carbon H-Bond: Ala41 (2.892)
rs76289235	Conventional H-Bond: Tyr26 (2.163)	−5.7
	Pi-Cation: Tyr26 (4.375)
rs14393283	Conventional H-Bond: Trp33 (2.921), Gln30 (3.372)	−5.8
	Attractive Charge: Glu17 (3.790), Glu17 (3.195)
	Carbon H-Bond: Trp33 (3.338)
rs766996587	Conventional H-Bond: Asn53 (2.254), Asn53 (2.917), Asn53 (3.017)	−4.9
rs1348114695	Conventional H-Bond: Arg21 (2.428)	−5.7
	Alkyl: Ile18 (4.943)
	Pi-Alkyl: Phe12 (4.405)
rs961360700	Conventional H-Bond: Thr3 (2.162), Gly33 (3.377)	−8.2
rs755691167	Conventional H-Bond: Gln54 (2.346)	−6.7
	Alkyl: Val58 (3.886)
rs1316056737	Conventional H-Bond: Lys37 (2.363), Lys37 (2.588), Lys37 (2.632), Phe35 (3.267)	−5.1
	Alkyl: Lys23 (4.193)
rs781255386	Conventional H-Bond: Arg25 (2.494), Lys30 (2.829)	−5.1
rs1299103394	Conventional H-Bond: Ser10 (2.222), Asp13 (3.259)	−5.4
	Carbon H-Bond: Ser10 (3.414)
	Alkyl: Cys16 (4.680), Val24 (4.002)
rs759134032	Conventional H-Bond: Ser57 (2.127)	−5.7
	Carbon H-Bond: Leu29 (3.680)
rs1238146879	Conventional H-Bond: Tyr5 (3.056)	−5.4
	Pi-Cation: Tyr5 (3.898)
rs778500138	Conventional H-Bond: Leu37 (2.078), Ser38 (2.958), Asn36 (3.219)	−5.6
	Alkyl: Leu35 (4.335)
rs1396769231	Conventional H-Bond: Ser48 (2.586), Arg49 (2.670), Leu51 (2.417)	−5.5
rs1016777825	Conventional H-Bond: His34 (2.831)	−5.4
	Alkyl: Pro21 (4.570), Val27 (4.102), Ile29 (5.295)