Intra-basepair Parameters Buckle(°) -0.03 Open angle(°) 0.01 Propeller (°) 0.02 Stagger (Å) 0.01 Shear (Å) 2.07 Stretch (Å) 2.91

Basepair Geometry C1'-C1' Distance(Å) 10.98 C6-C8 Distance (Å) 8.67 Opening (°) 180.0 Glycosidic angle- 1 (°) 21.27 Glycosidic angle- 2 (°) 21.27

Quantum Chemical interaction energy = -16.78 Kcal/mol

(Ref: Panigrahi et. al., Unpublished data)

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