Science Advances

Supplementary Materials

This PDF file includes:

  • fig. S1. Agreement between r(AAAA) simulations using VdW-OPC and experiments as a function of the parameter θ.
  • fig. S2. Agreement between r(GACC) simulations using VdW-OPC and experiments as a function of the parameter θ.
  • fig. S3. Agreement between r(UUUU) simulations using VdW-OPC and experiments as a function of the parameter θ.
  • fig. S4. χ2 versus relative entropy and fraction of effective frames as function of θ.
  • fig. S5. Reweighted r(AAAA) simulations using VdW-OPC.
  • fig. S6. Reweighted r(CCCC) simulations using VdW-OPC.
  • fig. S7. Reweighted r(GACC) simulations using VdW-OPC.
  • fig. S8. Reweighted r(UUUU) simulations using VdW-OPC.
  • fig. S9. Torsion angle distribution before (blue) and after (gray) reweighting r(AAAA) simulations with θ = 2.
  • fig. S10. Torsion angle distribution before (blue) and after (gray) reweighting r(CCCC) simulations with θ = 2.
  • fig. S11. Torsion angle distribution before (blue) and after (gray) reweighting r(GACC) simulations with θ = 2.
  • fig. S12. Torsion angle distribution before (blue) and after (gray) reweighting r(UUUU) simulations with θ = 2.
  • fig. S13. Population of A-form–like and intercalated structures as a function of θ.
  • fig. S14. Histogram of eRMSD from A-form and intercalated in four simulation blocks of 5000 samples each, corresponding to 0.25 μs per block.
  • fig. S15. Karplus equations listed in table S1 (vide infra) overlayed on experimental data from previous studies (41–44).
  • fig. S16. Root mean square error between calculated and experimental 3J couplings.
  • table S1. Comparison between existing Karplus parameters for RNA.
  • References (41–50)

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