Table 6.
Residue, contacts and energy scores obtained from the interaction of peptides with the crystal structure of SARS-CoV-2 parent protease in Apo form (PDB: 6M03) and SARS-CoV-2 main protease in complex with an inhibitor N3(PDB: 6LU7).
| Sequence | 6M03 |
6LU7 |
||||
|---|---|---|---|---|---|---|
| Residue | Contacts | Energy | Residue | Contacts | Energy | |
| ALPMHIR | 294 | 63.34 | −13.68 | 107 | 36,14 | −13.92 |
| IPAVFK | 105 | 35.74 | −12.81 | 110 | 22.46 | −12.96 |
| GLDIQK | 126 | 59.94 | −11.37 | 126 | 63,74 | −11.97 |
| IIAEK | 126 | 29.78 | −11.93 | 294 | 45,62 | −11.34 |
| EALEK | 126 | 29.64 | −11.08 | 126 | 34,5 | −10.65 |
| TPEVDK | 4 | 48,68 | −9.75 | 4 | 49,2 | −9.67 |
Residue: The number of amino acid that the peptide bound on the protein, Contacts: Interface propensity, PDB codes; 6M03: The crystal structure of COVID-19 main protease in apo form 6LU7: The crystal structure of COVID-19 main protease in complex with an inhibitor N3.