Table 7 Protein-DNA complexes generated for Variant II WRKY DBD with DNA motif using HADDOCK server
Models | HADDOCK score (a.u) | RMSD (A°) | Van der Waals energy (Kcal/mol) | Electrostatic energy (J) | Desolvation energy (kcal/mol | Restraints violation energy(kcal/mol) | Buried Surface Area (Å2) | Z-Score |
|---|---|---|---|---|---|---|---|---|
Cluster 1 | −111.3 ± 11.2 | 7.5 ± 0.4 | − 43.5 ± 8.1 | −426.2 ± 24.8 | 15.0 ± 2.7 | 25.6 ± 17.83 | 1218.1 ± 124.8 | − 1.0 |
Cluster 2 | − 118.5 ± 11.4 | 14.3 ± 0.2 | − 53.0 ± 6.8 | − 432.7 ± 53.8 | 18.0 ± 3.5 | 30.9 ± 16.03 | 1352.2 ± 99.5 | − 1.3 |
Cluster 3 | −85.1 ± 4.7 | 13.0 ± 0.3 | −25.0 ± 1.4 | − 367.1 ± 25.7 | 12.8 ± 5.0 | 5.4 ± 5.40 | 807.4 ± 92.2 | 0.2 |
Cluster 4 | −84.9 ± 1.8 | 8.0 ± 0.5 | − 25.7 ± 2.3 | − 381.0 ± 27.2 | 12.5 ± 4.1 | 44.6 ± 25.94 | 783.0 ± 61.6 | 0.2 |
Cluster 5 | −88.6 ± 13.6 | 13.3 ± 0.2 | − 28.5 ± 7.9 | − 379.0 ± 52.9 | 12.6 ± 1.6 | 30.9 ± 16.98 | 979.1 ± 137.6 | 0.1 |
Cluster 6 | −52.9 ± 15.3 | 8.0 ± 0.4 | − 21.5 ± 4.0 | − 245.1 ± 54.7 | 15.7 ± 4.7 | 19.1 ± 16.23 | 758.8 ± 93.4 | 1.8 |