Intra-basepair Parameters Buckle(°) 4.32 Open angle(°) -1.05 Propeller (°) 18.61 Stagger (Å) -0.44 Shear (Å) 2.29 Stretch (Å) 2.92

Basepair Geometry C1'-C1' Distance(Å) 9.53 C6-C8 Distance (Å) 8.42 Opening (°) 37.24 Glycosidic angle- 1 (°) 5.38 Glycosidic angle- 2 (°) 89.27

Quantum Chemical interaction energy = -4.01 Kcal/mol

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

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