Table 3.
Force constants for bonds and angles in the coarse-grained cholesterol models proposed
| Bond | Force constant (kcal/mol/Å2) | Equilibrium distance (Å) |
|---|---|---|
| ALC-1RNG | 355.1 | 2.591 |
| ALC-2RNG | 141.4 | 4.200 |
| 1RNG-2RNG | 204.0 | 3.347 |
| 1RNG-3RNG | 124.8 | 4.008 |
| 1RNG-CHM | 132.9 | 2.402 |
| 2RNG-3RNG | 319.4 | 3.394 |
| 2RNG-4RNG | 155.6 | 4.180 |
| 3RNG-4RNG | 366.8 | 3.041 |
| 3RNG-CHM | 145.3 | 2.622 |
| 4RNG-TAILC | 155.8 | 3.717 |
| TAILC-TRMC | 10.8 | 4.227 |
| Angle | Force constant (kcal/mol) | Equilibrium angle |
| 1RNG-ALC-2RNG | 1070 | 52.8 |
| ALC-1RNG-2RNG | 631.0 | 89.1 |
| ALC-1RNG-3RNG | 356.7 | 142.6 |
| ALC-1RNG-CHM | 127.1 | 107.1 |
| 2RNG-1RNG-3RNG | 1835 | 54.0 |
| 2RNG-1RNG-CHM | 218.1 | 62.7 |
| 3RNG-1RNG-CHM | 367.3 | 62.8 |
| ALC-2RNG-1RNG | 2379 | 38.1 |
| ALC-2RNG-3RNG | 457.0 | 110.8 |
| ALC-2RNG-4RNG | 284.4 | 155.9 |
| 1RNG-2RNG-3RNG | 864.4 | 73.0 |
| 1RNG-2RNG-4RNG | 628.8 | 118.6 |
| 3RNG-2RNG-4RNG | 2647 | 45.9 |
| 1RNG-3RNG-2RNG | 1324 | 52.9 |
| 1RNG-3RNG-4RNG | 485.5 | 133.4 |
| 1RNG-3RNG-CHM | 113.9 | 129.3 |
| 2RNG-3RNG-4RNG | 1040 | 80.8 |
| 2RNG-3RNG-CHM | 280.7 | 98.1 |
| 4RNG-3RNG-CHM | 778.5 | 53.9 |
| 2RNG-4RNG-3RNG | 1913 | 53.3 |
| 2RNG-4RNG-TAILC | 363.8 | 149.1 |
| 3RNG-4RNG-TAILC | 495.7 | 96.1 |
| 4RNG-TAILC-TRMC | 68.0 | 135.8 |