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Molecular docking analysis of wild type and mutant GALNS against natural (KS and C6S) and artificial (4MUGPS) substrate.
| Protein | Affinity energy (kcal/mol) | ||
|---|---|---|---|
| KS | C6S | 4MUGPS | |
| Wild Type | 90.1 | 128.6 | 76.9 |
| p.R61W | 78.0 | 81.5 | 128.1 |
| p.R94C | 87.5 | 104.5 | 76.3 |
| p.F285del | 81.9 | 53.5 | 66.8 |
| p.R386C | 91.9 | 106.0 | 77.2 |
| p.A393S | 122.8 | 131.4 | 77.8 |
| p.W405_T406del | 81.7 | 64.5 | 45.6 |
