Glossary of the entry terms
To download the entire datasets, click on the github link.
Terms | Explanation |
---|---|
Antibody name | Name of the antibody |
PDB Code | PDB ID corresponding to the antibody |
Mutation type | Type of mutation from wild-type to mutant amino acid residue |
RBD Site | Site in the receptor binding domain of SARS-CoV-2 spike protein |
Escape fraction | Escape fraction value |
Escape (High/Low) | Predicted escape fraction as high or low |
Antibody group | Group of the antibody based on its epitope |
Escape probability | Probability of the mutation to escape antibody binding |
Backbone Hydrogen bond Energy | Change in contribution of hydrogen-bond formation between backbone atoms upon mutation (mutant-wildtype) (kcal/mol) |
Electrostatics Energy | Change in contribution of electrostatic interactions upon mutation (mutant-wildtype) (kcal/mol) |
vdW Clash Energy | Change in energy penalty due to van der Waals clashes between residues in the protein upon mutation (mutant-wildtype) (kcal/mol) |
ΔΔGmcsm | Change in binding affinity upon mutation predicted by mCSM (wildtype-mutant) (kcal/mol) |
Main Chain-Side Chain Hydrogen Bonds | Number of hydrogen bonds between amide nitrogen or carbonyl oxygen and an amino acid side chain (donor-acceptor distance cutoff (oxygen and nitrogen) = 3.5Å, donor-acceptor distance cutoff (sulphur) = 4Å) |
To download the entire datasets, click on the github link.