Table 1.
Analysis results for five different protein CG MD simulations. Both the CRMSα and Rg (for the initial and final conformations) are given. All numbers are an average over 240 ps of simulation time. For the KCSA potassium channel the results are given for the total complex as well as for an average of the separate subunits.
| Protein | PDB-code | CRMSα (nm) | Rginit (nm) | Rgfin (nm) |
|---|---|---|---|---|
| rhodopsin | 1U19 | 0.323 ± 0.004 | 2.23 ± 0.005 | 2.19 ± 0.005 |
| β2AR | 2RH1 | 0.382 ± 0.004 | 2.02 ± 0.005 | 1.97 ± 0.005 |
| KCSA (total) | 1K4C | 0.511 ± 0.002 | 2.12 ± 0.005 | 2.03 ± 0.005 |
| KCSA (individual) | 1K4C | 0.393 ± 0.003 | - | - |
| cytochrome P450-CAM | 2CPP | 0.323 ± 0.002 | 2.13 ± 0.005 | −1.97 ± 0.005 |
| fasculin 1 | 1FAS | 0.196 ± 0.003 | 1.12 ± 0.005 | 1.02 ± 0.005 |