Table 2 Residues with polar bonds before mutation. The five residues listed create a total of seven polar bonds with the ligand sorbitol when sorbitol is in the binding pocket of the protein prior to mutating any residues in the binding pocket of the protein
Before Mutation | After Mutation | After FastRelax | ||||
|---|---|---|---|---|---|---|
Residue Number | Residue | Number of Polar Bonds | Residue | Number of Polar Bonds | Residue | Number of Polar Bonds |
61 | HIS | 1 | HIS | 1 | HIS | 1 |
89 | ARG | 1 | ARG | 1 | ARG | 2 |
187 | ARG | 3 | ARG | 3 | ARG | 2 |
268 | ASP | 1 | ASP | 1 | ASP | 0 |
290 | GLN | 1 | GLN | 1 | GLN | 1 |