With these frameworks, the majority of nWCF structures falls into three distinct categories: in-phase-intercalation1 (nWCFP1), in-phase-intercalation2 (nWCFP2), and outerphase-intercalation (nWCFO) (Figure ). Calculated d4-6 distances in nWCFP1 structures is found to be notably high (Figure ), facilitating the accommodation of the intercalated UBP inside the DNA duplex. For nWCFP2, reduced d4-6 has been observed and it becomes lowest for nWCFO insisting the UBP to settle at the outer phase of the DNA. Interestingly in these two cases occasional distortion has been noticed leading to form mis-paired and flanked structures. During the simulation, SYN-to-ANTI transformation or vice versa through intra-strand flipping is witnessed whereas DS-DN are found to be upside down their position through inter-strand flipping (Figure ). SYN conformers can be recognized by shorter dO-S whereas higher dO-S represent ANTI and distorted orientations of UBP (Figure ).