Intra-basepair Parameters Buckle(°) -0.3 Open angle(°) -3.43 Propeller (°) 2.21 Stagger (Å) 0.12 Shear (Å) 0.17 Stretch (Å) 2.92

Basepair Geometry C1'-C1' Distance(Å) 10.77 C6-C8 Distance (Å) 9.9 Opening (°) 20.04 Glycosidic angle- 1 (°) 52.96 Glycosidic angle- 2 (°) 53.65

Quantum Chemical interaction energy = -26.51 Kcal/mol

(Ref: Roy et al., J.Phy.Chem.B, 112,3786)

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