Intra-basepair Parameters Buckle(°) -52.74 Open angle(°) -35.19 Propeller (°) -16.69 Stagger (Å) -0.59 Shear (Å) 2.19 Stretch (Å) 3.83

Basepair Geometry C1'-C1' Distance(Å) 9.52 C6-C8 Distance (Å) 10.08 Opening (°) 115.03 Glycosidic angle- 1 (°) 36.53 Glycosidic angle- 2 (°) 87.7

Quantum Chemical interaction energy = -7.96 Kcal/mol

(Ref: Panigrahi et. al., Unpublished data)

Intra-basepair parameters and basepair geometry are calculated by NUPARM.