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Statistics for the analysis of the structures of the covalent complex calculated by HADDOCK.
| Critera | Cluster 1 | Cluster 2 |
|---|---|---|
| HADDOCK score | −133.4 ± 5.2 | −86.6 ± 3.1 |
| Cluster size | 160 | 40 |
| RMSD from lowest-energy structure | 1.5 ± 0.9 | 8.8 ± 0.9 |
| Van der Waals energy | −80.8 ± 6.2 | −88.0 ± 5.5 |
| Electrostatic energy | −468.0 ± 19.0 | −270.0 ± 61.7 |
| Desolvation energy | 40.1 ± 3.8 | 26.7 ± 7.0 |
| Restraints violation energy | 9.3 ± 11.4 | 286.5 ± 106.39 |
| Buried Surface Area | 2602.8 ± 69.3 | 2395.7 ± 67.3 |
| Z-score | −1.0 | 1.0 |
