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 |