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. 2022 Nov 11;13:996005. doi: 10.3389/fphar.2022.996005

TABLE 2.

The occupancy of H-bonds between the template peptide and ACE2 chain A.

Pair ID Donor-acceptor Occupancy (%)
1 505TYR (HH)—37 GLU(OE2) 31.3
2 505TYR (HH)—37 GLU(OE1) 41.8
3 501ASN(H)—353LYS(O) 14.6
4 500THR (HG1)—355ASP(OD2) 46.3
5 500THR (HG1)—355ASP(OD1) 46.2
6 500THR (H)—353LYS(O) 76.4
7 497PHE(H)—38 ASP(OD2) 16.6
8 497PHE(H)—38 ASP(OD1) 69.9
9 496GLY (H)—38 ASP(OD2) 29.3
10 496GLY (H)—38 ASP(OD1) 68.3
11 495TYR (H)—38 ASP(OD2) 71.1
12 495TYR (H)—38 ASP(OD1) 15.6
13 494SER(HG)—35 GLU(OE2) 56.8
14 494SER(HG)—35 GLU(OE1) 52.9
15 494SER(H)—35 GLU(OE2) 40
16 494SER(H)—35 GLU(OE1) 34
17 490PHE(H)—75 GLU(OE2) 33.2
18 490PHE(H)—75 GLU(OE1) 40.6
19 487ASN(D21)—24 GLN (O) 10.6
20 487ASN(H)—83 TYR (OH) 16
21 393ARG (H11)—505TYR (OH) 11.2
22 353LYS(HZ1)—497PHE(O) 33.2
23 353LYS(H)—505TYR (OH) 12.9
24 83TYR (HH)—487ASN(OD1) 14.5