Table 1. List of the Contents and Sizes of All Simulation Systems.
structure source | solution | replicates | box size (Å) | system notes |
---|---|---|---|---|
2KF8 | ∼150 mM KCl | 3 × 1 μs | 50 | telomeric two-tetrad GQ (Figure 1) |
2KF8 | ∼150 mM NaCl | 3 × 1 μs | 50 | telomeric two-tetrad GQ (Figure 1) |
5M1W | ∼150 mM KCl | 3 × 2 μs | 62 | isolated G-hairpin (Figure 2) |
5M1W | ∼150 mM NaCl | 3 × 2 μs | 62 | isolated G-hairpin (Figure 2) |
SC11 snapshot | ∼150 mM KCl | 1 × 500 ns | 72 | starting in G-hairpin state 2 (Figure S1) |
SC11 snapshot | ∼150 mM NaCl | 1 × 500 ns | 72 | starting in G-hairpin state 2 (Figure S1) |
SC11 snapshot | ∼150 mM KCl | 1 × 500 ns | 72 | starting in the triad/tetrad state (Figure S2) |
SC11 snapshot | ∼150 mM NaCl | 1 × 1 μs | 72 | starting in the triad/tetrad state (Figure S2) |
SC11 snapshot | ∼150 mM KCl | 2 × 1 μs | 62 | starting in the unfolded state (Figure S3) |