Intra-basepair Parameters Buckle(°) 0.2 Open angle(°) 3.79 Propeller (°) 0.09 Stagger (Å) 0.00 Shear (Å) -0.14 Stretch (Å) 2.98

Basepair Geometry C1'-C1' Distance(Å) 7.96 C6-C8 Distance (Å) 8.56 Opening (°) 108.59 Glycosidic angle- 1 (°) 93.24 Glycosidic angle- 2 (°) 20.12

Quantum Chemical interaction energy = -7.28 Kcal/mol

(Ref: Panigrahi et al., Unpublished data)

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