Table 2.
The 10 largest REG values (by magnitude) and the associated Pearson correlation coefficient R for the electrostatic terms.
| TERM | REG | R |
|---|---|---|
| Vcl(O67, H100) | −6.8 | −0.97 |
| Vcl(C35, O36) | −5.6 | −0.98 |
| Vcl(C35, H100) | −3.3 | −0.97 |
| Vcl(C58, O66) | −3.2 | −0.98 |
| Vcl(O37, H99) | −2.9 | −0.99 |
| Vcl(C35, O37) | 2.4 | 0.92 |
| Vcl(C35, H99) | 3.0 | 1.00 |
| Vcl(O36, H100) | 6.5 | 0.96 |
| Vcl(C58, N59) | 8.1 | 0.83 |
| Vcl(C58, O67) | 8.8 | 0.92 |