Intra-basepair Parameters Buckle(°) -49.98 Open angle(°) -15.60 Propeller (°) -41.41 Stagger (Å) 0.08 Shear (Å) -2.44 Stretch (Å) 2.98

Basepair Geometry C1'-C1' Distance(Å) 10.71 C6-C8 Distance (Å) 8.67 Opening (°) 107.65 Glycosidic angle- 1(°) 38.71 Glycosidic angle- 2(°) 58.18

Quantum Chemical interaction energy = -11.33 Kcal/mol

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

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