Table 2. Statistical analysis of the protein-peptide docking result obtained by HADDOCK.
Peptide | HADDOCK score | Van der waal energy | Electrostatic energy | Desolvation energy | Restraints violation energy | Buried surface area |
---|---|---|---|---|---|---|
(Kcal mol−1) | (Kcal mol−1) | (Kcal mol−1) | (Kcal mol−1) | (Å2) | ||
LumC13 | −83.6 ± 7.3 | −40.9 ± 6.3 | −436.1 ± 24.2 | 42.4 ± 3.6 | 21.8 ± 15.74 | 1290.8 ± 109.1 |
LumC33ΔC20 | −77.3 ± 11.4 | −45.5 ± 8.0 | −231.0 ± 23.3 | 31.1 ± 2.8 | 32.9 ± 9.99 | 1375.6 ± 140.2 |
LumC13C-A | −83.8 ± 7.1 | −43.4 ± 3.5 | −153.0 ± 29.2 | 36.0 ± 7.2 | 42.1 ± 27.24 | 1384.9 ± 79.8 |
LumC13A,Y-F | −84.8 ± 7.0 | −49.8 ± 7.1 | −313.1 ± 40.4 | 23.8 ± 16.6 | 37.4 ± 28.55 | 1574.4 ± 138.3 |
LumC18ΔC5 | −79.5 ± 1.7 | −48.2 ± 7.2 | −453.9 ± 27.8 | 42.4 ± 6.1 | 10.4 ± 5.86 | 1450.3 ± 71.0 |
Hybrid 1/3 | −55.8 ± 4.0 | −41.7 ± 9.0 | −307.5 ± 57.5 | 46.6 ± 10.6 | 7.9 ± 3.80 | 1266.2 ± 138.5 |
Hybrid 2/3 | −76.0 ± 1.6 | −55.2 ± 2.8 | −384.7 ± 11.5 | 15.5 ± 3.3 | 6.5 ± 2.02 | 1441.9 ± 35.8 |
Hybrid 2/3Y-F | −82.5 ± 0.5 | −44.1 ± 2.5 | −270.4 ± 11.8 | 24.8 ± 3.9 | 9.1 ± 2.89 | 1284.2 ± 24.2 |