Intra-basepair Parameters Buckle(°) 4.86 Open angle(°) -5.21 Propeller (°) 28.69 Stagger (Å) -0.42 Shear (Å) 1.88 Stretch (Å) 3.78

Basepair Geometry C1'-C1' Distance(Å) 4.59 C6-C8 Distance (Å) 9.22 Opening (°) 151.12 Glycosidic angle- 1 (°) 111.4 Glycosidic angle- 2 (°) 156.64

Quantum Chemical interaction energy = -7.29 Kcal/mol

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 al., Unpublished data)

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