Intra-basepair Parameters Buckle(°) -0.24 Open angle(°) 2.23 Propeller (°) -2.63 Stagger (Å) -0.01 Shear (Å) -0.13 Stretch (Å) 2.79

Basepair Geometry C1'-C1' Distance(Å) 8.25 C6-C8 Distance (Å) 6.16 Opening (°) 63.00 Glycosidic angle- 1 (°) 51.14 Glycosidic angle- 2 (°) 62.99

Quantum Chemical interaction energy = -14.21 Kcal/mol

(Ref: Roy et al., J.Phy.Chem.B, 2008,112,3786)

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