We have used energy decomposition analysis (EDA) to investigate the interactions between the base pairs using the WCF, nWCFP1, nWCFP2, and nWCFO structures. We have examined the interactions between the DS-DN as well as adjacent complimentary DC-DG base pairs (cBPs) (Table ). It is observed that for nWCFP1, DS-DN is stabilized through vdW interactions, where the vdW energy is -11.3 kcal/mol. cBPs are stabilized through coulomb interactions with associated ECoul=~-9.0 kcal/mol, indicating the stability of the base pairs. nWCFP2 structures also show similar interactions between DS-DN as well as cBPs as obtained from EDA analysis. During the calculation of energy decomposition analysis (EDA) for WCF structures, we have identified two distinct interaction regions between cBPs. In one instance (WCF1), Coulombic interactions are approximately around ~-7.3 kcal/mol, while in the alternative scenario (WCF2), they have escalated to around ~-8.0 kcal/mol.