Table 3. Number of clusters (NOC) at 1.15 Å RMSD cutoff for the MD simulations and experimental thermodynamic stability data for wild-type p53 and its more-stabilized forms.
NOC | Thermodynamic stability (kcal/mol) | |
wt | 21 | 0a |
N239Y | 19 | −1.49b |
M133L_V203A_N239Y_N268D (first 30 ns of MD simulation) | 25 | −2.65b |
M133L_V203A_N239Y_N268D (second 30 ns of MD simulation) | 9 | −2.65b |
aRef 23.
bRef 37. Both mutants are functionally active.