Table 2.
Results of docking between the normal and mutated antibody variants with CD20 antigen
| Variants Feature | Control | Variant 1 | Variant 2 | Variant 3 | Variant 4 |
|---|---|---|---|---|---|
| HADDOCK score | -111.8 ± 9.4 | -162.4 ± 2.2 | -158.7 ± 8.8 | -147.1 ± 3.9 | -172.7 ± 11.9 |
| Cluster size | 7 | 53 | 110 | 11 | 11 |
| RMSD from the overall lowest-energy structure | 9.2 ± 0.2 | 0.5 ± 0.3 | 1.1 ± 0.7 | 10.7 ± 0.3 | 0.7 ± 0.5 |
| Van der Waals energy | -67.1 ± 8.0 | -67.8 ± 6.6 | -69.2 ± 3.9 | -63.1 ± 1.5 | -83.4 ± 3.1 |
| Electrostatic energy | -122.2 ± 17.9 | -216.3 ± 24.1 | -207.7 ± 23.7 | -129.6 ± 37.5 | -126.2 ± 24.4 |
| Desolvation energy | -23.9 ± 4.1 | -59.9 ± 6.5 | -54.4 ± 6.7 | -69.2 ± 9.7 | -72.8 ± 7.8 |
| Restraints violation energy | 36.7 ± 4.65 | 84.8 ± 40.29 | 63.7 ± 11.17 | 111.9 ± 22.20 | 87.5 ± 63.92 |
| Buried surface area | 1828.6 ± 92.9 | 2102.0 ± 128.3 | 1948.7 ± 62.6 | 1981.4 ± 118.2 | 2351.7 ± 53.9 |
| Z-Score | -2.2 | -1.9 | -2.0 | -1.5 | -1.2 |