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Statistics of HADDOCK Docking Calculations
| CaM/CaM1 | CaM/CaM2 | |
|---|---|---|
| HADDOCK score | −74.2 ± 1.0 | −62.9 ± 3.5 |
| cluster size | 195 | 200 |
| RMSD from lowest-energy structure (Å) | 0.7 ± 0.4 | 0.5 ± 0.3 |
| van der Waals energy (kcal/mol) | −36.5 ± 1.8 | −24.8 ± 1.9 |
| electrostatic energy (kcal/mol) | −120.9 ± 7.3 | −185.1 ± 14.8 |
| restraints violation energy (kcal/mol) | 0.1 ± 0.2 | 0.4 ± 0.3 |
