Intra-basepair Parameters Buckle(°) 3.61 Open angle(°) 4.6 Propeller (°) 25.57 Stagger (Å) 0.47 Shear (Å) 0.63 Stretch (Å) 3.39

Basepair Geometry C1'-C1' Distance(Å) 6.39 C6-C8 Distance (Å) 6.72 Opening (°) 19.0 Glycosidic angle- 1 (°) 139.92 Glycosidic angle- 2 (°) 55.37

Quantum Chemical interaction energy = -6.01 Kcal/mol

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

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