Table 3. Comparison of averages of radius of gyration of Cα carbons over the last 25 ns of MD simulations of coiled-coil connector.
Radius of gyration [nm] | ||||
---|---|---|---|---|
system | Aα | Bβ | γ | |
WT | 2.34 ± 0.03 | 2.42 ± 0.02 | 2.38 ± 0.04 | 2.03 ± 0.05 |
Bβ(Ac)K122 | 2.43 ± 0.02 | 2.44 ± 0.02 | 2.51 ± 0.03 | 2.22 ± 0.04 |
Bβ(Ox)K122 | 2.38 ± 0.03 | 2.42 ± 0.02 | 2.42 ± 0.03 | 2.19 ± 0.05 |
Bβ(Ac)K130 | 2.36 ± 0.02 | 2.42 ± 0.03 | 2.43 ± 0.03 | 2.12 ± 0.02 |
Bβ(Ac)K133 | 2.44 ± 0.02 | 2.45 ± 0.02 | 2.49 ± 0.04 | 2.24 ± 0.04 |
Bβ(Ox)K133 | 2.35 ± 0.03 | 2.37 ± 0.03 | 2.47 ± 0.03 | 2.10 ± 0.04 |
γ(Ox)K58 | 2.36 ± 0.02 | 2.39 ± 0.02 | 2.41 ± 0.04 | 2.16 ± 0.04 |
γ(Ox)P76E | 2.33 ± 0.02 | 2.37 ± 0.03 | 2.45 ± 0.03 | 2.08 ± 0.03 |
Aα(Ox)M91 | 2.36 ± 0.05 | 2.36 ± 0.06 | 2.37 ± 0.04 | 2.27 ± 0.05 |
Bβ(Ox)N140 | 2.32 ± 0.04 | 2.40 ± 0.04 | 2.46 ± 0.04 | 1.94 ± 0.03 |
γ(Ox)P76PGA | 2.36 ± 0.02 | 2.42 ± 0.03 | 2.42 ± 0.03 | 2.11 ± 0.03 |