Table 1. General Properties of Simulation Systems.
| RMSDa |
Rga |
||||||
|---|---|---|---|---|---|---|---|
| system | mutation region | dimer | monomer | monomer | dimer | monomer | monomer |
| wild-type (146−231) | 2.8 ± 0.4 | 2.3 ± 0.3 | 2.4 ± 0.3 | 15.8 ± 0.3 | 11.4 ± 0.2 | 11.3 ± 0.1 | |
| wild-type (151−231) | 4.5 ± 0.3 | 2.8 ± 0.5 | 3.8 ± 0.3 | 15.6 ± 0.3 | 11.2 ± 0.1 | 11.3 ± 0.1 | |
| Trp184Ala (146−231) | helix 2 | 6.7 ± 0.5 | 2.5 ± 0.2 | 3.4 ± 0.3 | 16.5 ± 0.3 | 11.7 ± 0.1 | 11.7 ± 0.2 |
| Met185Ala (146−231) | helix 2 | 3.1 ± 0.4 | 1.9 ± 0.2 | 2.0 ± 0.2 | 15.4 ± 0.2 | 11.5 ± 0.1 | 11.6 ± 0.2 |
| Gln155Asn (146−231) | MHR | 5.9 ± 0.8 | 5.0 ± 0.6 | 3.6 ± 0.3 | 16.8 ± 0.5 | 11.2 ± 0.1 | 11.5 ± 0.2 |
| Glu159Asp (146−231) | MHR | 5.4 ± 0.5 | 2.6 ± 0.2 | 3.8 ± 0.6 | 16.7 ± 0.2 | 11.7 ± 0.1 | 11.3 ± 0.3 |
a
RMSD and Rg values were averaged for the last 10 ns.