Intra-basepair Parameters Buckle(°) 28.41 Open angle(°) 13.63 Propeller (°) 33.76 Stagger (Å) 0.76 Shear (Å) -0.35 Stretch (Å) 2.93

Basepair Geometry C1'-C1' Distance(Å) 5.77 C6-C8 Distance (Å) 8.13 Opening (°) 97.88 Glycosidic angle- 1 (°) 60.87 Glycosidic angle- 2 (°) 118.39

Quantum Chemical interaction energy = -10.27 Kcal/mol

(Ref: Panigrahi et al., Unpublished data)

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