The calculated Van der Waals interaction energy, EvdW, for WCF structures is reduced to ~-1.5 kcal/mol between DS and DN. We have also calculated the interaction energies between DS and DN as well as adjacent DG-DC base pairs for nWCFO structures. Here the Coulomb interactions between cBPs are further decreased to ECoul ~-7.0 kcal/mol along with a significant reduction of EvdW (-6.4 kcal/mol) for DS-DN. Overall, the population of the different conformers is directly synchronized with the UBP and neighboring cBPs interactions where nWCF which correspond to the highest populations (39.4 %) shows the largest interactions as obtained from the EDA analysis.