Intra-basepair Parameters Buckle(°) 42.14 Open angle(°) -35.2 Propeller (°) -13.1 Stagger (Å) -1.23 Shear (Å) -0.76 Stretch (Å) 4.21

Basepair Geometry C1'-C1' Distance(Å) 9.61 C6-C8 Distance (Å) 10.1 Opening (°) 30.39 Glycosidic angle- 1 (°) 108.22 Glycosidic angle- 2 (°) 34.76

Quantum Chemical interaction energy = -10.00 Kcal/mol

(Ref: Panigrahi et. al, J. Biomol Struct. Dyn.,29,3,2011)

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