Table III.
Average Root-Mean-Square-Deviation (RMSD) and Radius of Gyration Rg of REI Light-Chain Monomers in the Native and Amyloid Forms as Calculated Using Last 50 ns of the Trajectories
| System | RMSD (Å) | ΔRg (Å) | ΔΔRg (Å) | ΔΔR (Å) |
|---|---|---|---|---|
| WT | 1.10 (0.12) | −0.29 (0.06) | ||
| R61N | 1.15 (0.11) | −0.36 (0.05) | −0.07 | |
| G68D | 1.05 (0.10) | −0.31 (0.05) | −0.02 | |
| D82I | 1.11 (0.11) | −0.22 (0.06) | 0.07 | |
| A84T | 1.04 (0.10) | −0.29 (0.05) | 0 | |
| WT (amyloid) | 1.16 (0.14) | 0.10 (0.07) | 0.39 | |
| R61N (amyloid) | 1.11 (0.11) | 0.14 (0.06) | 0.04 | 0.50 |
| G68D (amyloid) | 0.94 (0.08) | 0.03 (0.05) | −0.07 | 0.34 |
| D82I (amyloid) | 1.00 (0.11) | 0.06 (0.05) | −0.04 | 0.28 |
| A84T (amyloid) | 1.05 (0.13) | 0.11 (0.06) | 0.01 | 0.40 |
Standard deviations are calculated over three independent runs and shown in parentheses.
ΔΔRg = (ΔRg)mutant − (ΔRg)WT; ΔΔR = (ΔRg)amyloid form − (ΔRg)native form.