Intra-basepair Parameters Buckle(°) 2.27 Open angle(°) -0.66 Propeller (°) -6.57 Stagger (Å) 0.03 Shear (Å) 2.55 Stretch (Å) 2.85

Basepair Geometry C1'-C1' Distance(Å) 8.57 C6-C8 Distance (Å) 8.62 Opening (°) 1.20 Glycosidic angle- 1 (°) 79.99 Glycosidic angle- 2 (°) 45.29

Quantum Chemical interaction energy = -9.64 Kcal/mol

(Ref: Panigrahi et.al ,J. Biomol. Struc. Dyn.,2011, 3)

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