Intra-basepair Parameters Buckle(°) 49.37 Open angle(°) -56.64 Propeller (°) -81.88 Stagger (Å) -0.21 Shear (Å) 0.99 Stretch (Å) 3.45

Basepair Geometry C1'-C1' Distance(Å) 8.18 C6-C8 Distance (Å) 8.70 Opening (°) 24.12 Glycosidic angle- 1 (°) 36.01 Glycosidic angle- 2 (°) 118.43

Quantum Chemical interaction energy = -16.65 Kcal/mol

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 al., Unpublished data)

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