Science Advances

Supplementary Materials

This PDF file includes:

  • discussion S1. Divalent ion models studied in this work and the corresponding results.
  • discussion S2. Extrapolation of lifetime of folded state to the loaded force of 20 pN from SMD simulations and AFM experiments
  • table S1. The dimension of simulation systems.
  • table S2. The parameters of divalent ions.
  • fig. S1. Force profiles during the unfolding along H1-H3 (16 trajectories).
  • fig. S2. Structural analysis of 3WJ-pRNA during the unfolding along H1-H3.
  • fig. S3. Force profiles of 3WJ-pRNA during the unfolding along H1-H3 (eight trajectories).
  • fig. S4. Force profiles during the unfolding along H1-H3 (pulling rate is 1 nm/ns).
  • fig. S5. Cooperativity of two Mg clamps during mechanical unfolding.
  • fig. S6. Force profiles during the unfolding along H1-H3 using the Merz model of Mg2+ ions.
  • fig. S7. Relaxation and mechanical unfolding of 3WJ-pRNA using the Aqvist model of Ca2+ ions.
  • fig. S8. Relaxation and mechanical unfolding of 3WJ-pRNA using the Merz model of Ca2+ ions.
  • fig. S9. Mechanical unfolding of 3WJ-pRNA under transverse (H1-H2) pulling.
  • fig. S10. Mechanical unfolding of 3WJ-pRNA under transverse (H2-H3) pulling.
  • fig. S11. Force profiles of 3WJ-pRNA with force applied to the termini of H1 at a pulling rate of 0.1 nm/ns.
  • fig S12. Representative length-time traces of 3WJ-pRNA when constant force is loaded onto the terminus of H1.
  • fig S13. Distribution of unfolding times for the pRNA-3WJ under the loading forces of 1600 and 2000 pN.
  • fig. S14. Dependence of the rupture force on the loading rate.
  • fig. S15. Schematic of 3WJ-pRNA in the crystal structure (4KZ2), where three base pairs (bold) are attached to the terminus of H3.
  • References (54–56)

Download PDF

Files in this Data Supplement: