Binding energies estimated with MM/PBSA
| CNB domain | Eapolar | Epolar | Etot |
| kcal/mol | kcal/mol | kcal/mol | |
| Wild type | −49.1 ± 0.3 | −2.8 ± 0.3 | −51.9 ± 0.4 |
| Mutant | −47.1 ± 0.4 | −6.4 ± 0.3 | −53.4 ± 0.4 |
| ΔG(mutant)-ΔG(wild-type) | 2.0 ± 0.7 | −3.6 ± 0.6 | −1.5 ± 0.8 |
| CNB domain | Eapolar | Epolar | Etot |
| kcal/mol | kcal/mol | kcal/mol | |
| Wild type | −49.1 ± 0.3 | −2.8 ± 0.3 | −51.9 ± 0.4 |
| Mutant | −47.1 ± 0.4 | −6.4 ± 0.3 | −53.4 ± 0.4 |
| ΔG(mutant)-ΔG(wild-type) | 2.0 ± 0.7 | −3.6 ± 0.6 | −1.5 ± 0.8 |
Binding energies are reported as average values ± standard errors calculated over 100 samples (100-ns MD trajectories sampled with a period equal to 1 ns). The total binding energy (Etot) is the sum of an apolar term (Eapolar; equal to the Van der Waals energy plus the apolar contribution to the solvation energy) and a polar term (Epolar; equal to the coulombic energy plus the polar contribution to the solvation energy).