Table II.
Decomposition of energetic contributions (in kcal/mol) by residues of the p53•K382ac peptide
| Side Chain | Backbone | Total | vdW | ELE | GBSOL | |
|---|---|---|---|---|---|---|
| R379 | -5.7±1.6 | -0.5±0.8 | -5.2±1.8 | -0.2 | -53.6 | 48.7 |
| H380 | -1.2±0.8 | 0.2±0.7 | -1.0±1.2 | -3.7 | -2.0 | 4.8 |
| K381 | -0.5±0.7 | -1.7±0.5 | -2.2±0.8 | -5.0 | 0.4 | 2.4 |
| K382ac | -5.3±1.1 | -2.6±0.6 | -7.9±1.2 | -10.8 | -11.9 | 14.8 |
| L383 | -3.2±0.7 | -2.3±0.6 | -5.5±1.0 | -4.5 | -6.2 | 5.2 |
| M384 | -1.8±0.4 | -1.1±0.5 | -2.9±0.6 | -3.6 | -7.4 | 8.1 |
| F385 | -0.7±0.3 | 0.4±0.6 | -0.3±0.7 | -2.5 | -3.8 | 5.9 |
| K386 | -2.1±1.4 | -0.7±0.5 | -2.8±1.5 | -2.7 | -41.7 | 41.6 |