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Parameters of the bcp observed between the Trp 229 residue of RT and compound 3a: distance, hydrogen bond interaction energy, electron density and the Laplacian of electron density.
| Protein-ligand complex | Interaction | Distance (Å) | Energy of HBI (Kcal/mol) | Electron density (ρ) (a.u.) | Laplacian of electron density (∇2ρ) |
|---|---|---|---|---|---|
| Trp 229:3a | (N(13)….H(43)-O(34)) | 2.0916 | 4.2031 | 0.0198 | 0.0765 |
