Intra-basepair Parameters Buckle(°) 1.71 Open angle(°) -3.58 Propeller (°) -23.93 Stagger (Å) -0.29 Shear (Å) 0.17 Stretch (Å) 2.92

Basepair Geometry C1'-C1' Distance(Å) 8.58 C6-C8 Distance (Å) 8.38 Opening (°) 2.57 Glycosidic angle- 1 (°) 61.00 Glycosidic angle- 2 (°) 58.32

Quantum Chemical interaction energy = -10.95 Kcal/mol

(Ref: Panigrahi et al., Unpublished data)

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