Intra-basepair Parameters Buckle(°) -0.35 Open angle(°) -2.73 Propeller (°) 0.09 Stagger (Å) 0.00 Shear (Å) 2.41 Stretch (Å) 2.93

Basepair Geometry C1'-C1' Distance(Å) 11.11 C6-C8 Distance (Å) 7.31 Opening (°) 109.08 Glycosidic angle- 1 (°) 25.29 Glycosidic angle- 2 (°) 7.09

Quantum Chemical interaction energy = -12.71 Kcal/mol

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

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