Intra-basepair Parameters Buckle(°) -84.9 Open angle(°) 30.67 Propeller (°) -2.09 Stagger (Å) 0.1 Shear (Å) 1.83 Stretch (Å) 3.93

Basepair Geometry C1'-C1' Distance(Å) 7.51 C6-C8 Distance (Å) 6.38 Opening (°) 88.42 Glycosidic angle- 1 (°) 73.17 Glycosidic angle- 2 (°) 37.56

Quantum Chemical interaction energy = -7.82 Kcal/mol

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

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