Intra-basepair Parameters Buckle(°) 48.80 Open angle(°) -43.41 Propeller (°) -37.59 Stagger (Å) 0.67 Shear (Å) 2.36 Stretch (Å) 2.98

Basepair Geometry C1'-C1' Distance(Å) 5.83 C6-C8 Distance (Å) 9.09 Opening (°) 105.25 Glycosidic angle- 1 (°) 124.50 Glycosidic angle- 2 (°) 89.69

Quantum Chemical interaction energy = -8.71 Kcal/mol

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

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