Table 2. Number of clusters (NOC) at 1.15 Å RMSD cutoff for the MD simulations of wild-type p53 and its functional and nonfunctional mutants.
| Relevant cancer mutant | Functional activity | NOC | |
| wt | A | 21 | |
| R273H_N263V | R273H | A | 19 |
| R273H_N200Q_D208T | R273H | A | 19 |
| R273H_N235K_N239Y | R273H | A | 23 |
| R273H_S240R | R273H | A | 25 |
| R273H | R273H | I | 27 |
| R273H_N239S | R273H | I | 28 |
| R273H_R282S | R273H | I | 31 |
| R273H_L114G | R273H | I | 31 |
| G245S_N239Y | G245S | A | 15 |
| G245S | G245S | I | 32 |
| G245S_T123P | G245S | A | 36 |
| G245S_E286D | G245S | I | 45 |
| Y220C_A138G | Y220C | A | 21 |
| Y220C_L137R | Y220C | A | 29 |
| Y220C | Y220C | I | 32 |
| Y220C_L114G | Y220C | I | 55 |
Cancer mutants are typed in bold letters, rescue mutants are italicized, and non-rescue mutants are underlined. Wild-type p53 is presented as the first line of table. Cancer mutants and their relevant second-site mutants are grouped according to their relevant cancer mutants and sorted in ascending number of clusters in each group. A: active, I: inactive. The thermodynamic stability of G245S_N239Y mutant is given in Ref 36 to be −0.14 kcal/mol.