Table 8.
The correlation among the spots number of CTL cells activation and molecular simulation parameters
| Spots number of CTL cells activation | ||
|---|---|---|
| Position | Correlation Coefficient | 0.233 |
| P value | 0.386 | |
| DELTA TOTAL | Correlation Coefficient | 0.303 |
| P value | 0.255 | |
| VDWAALS | Correlation Coefficient | -0.091 |
| P value | 0.736 | |
| EEL | Correlation Coefficient | 0.102 |
| P value | 0.707 | |
| EGB | Correlation Coefficient | 0.233 |
| P value | 0.385 | |
| ESURF | Correlation Coefficient | -0.067 |
| P value | 0.807 | |
| DELTA G gas | Correlation Coefficient | 0.043 |
| P value | 0.875 | |
| DELTA G solv | Correlation Coefficient | 0.229 |
| P value | 0.393 | |
| Total number of HB | Correlation Coefficient | -0.560* |
| P value | 0.024 | |
| Total number of Salt Bridges | Correlation Coefficient | -0.571* |
| P value | 0.021 | |
| Total number of Pi-stacking | Correlation Coefficient | -0.057 |
| P value | 0.835 | |
| Total number of vdW Clash | Correlation Coefficient | -0.409 |
| P value | 0.116 | |
| Average values of Surface Complementarity | Correlation Coefficient | 0.154 |
| P value | 0.57 | |
| Average values of Buried SASA | Correlation Coefficient | -0.239 |
| P value | 0.372 | |
*
P < 0.05.