Intra-basepair Parameters Buckle(°) -57.66 Open angle(°) -46.64 Propeller (°) 7.35 Stagger (Å) -0.3 Shear (Å) 2.96 Stretch (Å) 3.25

Basepair Geometry C1'-C1' Distance(Å) 7.96 C6-C8 Distance (Å) 7.82 Opening (°) 154.38 Glycosidic angle- 1 (°) 34.17 Glycosidic angle- 2 (°) 60.16

Quantum Chemical interaction energy = -6.14 Kcal/mol

(Ref: Unpublished data)

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