Intra-basepair Parameters Buckle(°) -0.34 Open angle(°) 0.02 Propeller (°) -0.89 Stagger (Å) 0.00 Shear (Å) -2.58 Stretch (Å) 2.89

Basepair Geometry C1'-C1' Distance(Å) 11.17 C6-C8 Distance (Å) 8.61 Opening (°) 180.0 Glycosidic angle- 1 (°) 18.3 Glycosidic angle- 2 (°) 18.3

Quantum Chemical interaction energy = -9.00 Kcal/mol

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

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