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Hydrophobic interaction hotspots resulted from 50-ns molecular dynamics simulations of DPP-4 interacting with caffeic acid.
| Interacting Residue | Interaction Percentage |
|---|---|
| Arg61 | 0.80% |
| Trp62 | 1.80% |
| Pro159 | 2.40% |
| Pro218 | 1.60% |
| Lys463 | 47.50% |
| Tyr547 | 2.79% |
| Asn562 | 0.80% |
| Tyr631 | 0.60% |
| Tyr662 | 0.20% |
| Tyr666 | 1.40% |
