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Contact frequency (in percentage) of each residue with the surface
| Arg1 | His2 | Ser3 | Val4 | Val5 | |
|---|---|---|---|---|---|
| Simulation A | 20.0 | 37.8 | 37.8 | 53.9 | 73.9 |
| Cluster A1 | 4.0 | 64.9 | 69.3 | 52.6 | 72.7 |
| Cluster A2 | 31.4 | 18.0 | 15.4 | 56.8 | 73.7 |
| Simulation B | 13.9 | 22.6 | 21.9 | 61.5 | 53.5 |
| Cluster B1 | 5.1 | 31.8 | 26.5 | 59.0 | 51.7 |
| Cluster B2 | 38.0 | 0.6 | 25.0 | 72.7 | 42.5 |
| Simulation C | 16.0 | 18.0 | 5.7 | 50.9 | 50.1 |
| Cluster C1 | 9.7 | 11.1 | 8.0 | 48.5 | 58.6 |
| Cluster C2 | 21.7 | 24.7 | 2.8 | 54.5 | 41.1 |
