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. 2022 Jan 3;28(1):42. doi: 10.1007/s10989-021-10357-y

Table 8.

The calculated stabilizing energies of the designed AntiSCV2 peptides interacting with the HR1 trimer

Name of the peptide Total stabilizing energy (kJ mol−1) Energy per residue (kJ mol−1) Total binding energy
Binding to the first chain Binding to the second chain Binding to the first chain Binding to the second chain
Scaffold from the wild sequence of SCV2 HR2 − 83.7 − 15.5 − 0.8 − 0.15 − 99.2
AntiSCV2P1 − 108.9 − 52.4 − 1.1 − 0.5 − 161.3
AntiSCV2P2 − 72.5 − 71.9 − 0.7 − 0.7 − 144.4
AntiSCV2P3 − 60.7 − 114.1 − 0.6 − 1.1 − 174.8
AntiSCV2P4 − 47.2 − 86.7 − 0.5 − 0.9 − 133.9
AntiSCV2P5 − 47.5 − 79.9 − 0.5 − 0.8 − 127.4
AntiSCV2P6 − 86.0 − 81.9 − 0.8 − 0.8 − 167.9
AntiSCV2P7 − 97.7 − 98.9 − 1.0 − 1.0 − 196.6
AntiSCV2P8 − 100.6 − 66.6 − 1.0 − 0.7 − 167.2
AntiSCV2P9 − 84.9 − 76.9 − 0.8 − 0.8 − 161.8