| Whole ligand CSPA Covalency | |||||
|---|---|---|---|---|---|
| Average (thiolate) | C42 | C9 | C6 | C39 | |
| WT | 63.4 | 76.1 | 76 | 45.9 | 55.7 |
| WT_2water | 58.5 | 66.2 | 62.9 | 47.9 | 57.3 |
| C42S | 54.7 | 26.8 (O) | 74 | 41.7 | 48.3 |
| C42S_2water | 56.6 | 24.5 (O) | 70.3 | 46.5 | 53.0 |
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