Note: File describing pucker orientation for low- and high- conformations of ssDNA captured in the hemolysin. See torsion definition below Note: v0: C4'-O4'-C1'-C2' v1: O4'-C1'-C2'-C3' v2: C1'-C2'-C3'-C4' v3: C2'-C3'-C4'-O4' v4: C3'-C4'-O4'-C1' tm: the amplitude of pucker P: the phase angle of pseudorotation base v0 v1 v2 v3 v4 tm P Puckering High-Current Conformation 1 C 3.9 -32.9 47.1 -45.5 26.2 48.5 13.5 C3'-endo 2 C -20.1 32.3 -31.5 20.4 -0.1 33.2 161.8 C2'-endo 3 C -19.6 31.6 -30.9 20.0 -0.3 32.4 162.0 C2'-endo 4 C 1.0 -24.5 37.2 -37.3 23.1 38.9 17.0 C3'-endo 5 C -19.1 28.1 -26.4 15.5 2.3 28.6 157.3 C2'-endo 6 C -12.1 25.0 -27.9 21.3 -5.8 28.1 173.4 C2'-endo 7 C 12.1 -23.3 25.1 -18.1 3.9 25.4 350.1 C2'-exo 8 C 11.6 -22.7 24.6 -17.9 4.0 25.0 350.7 C2'-exo 9 C 10.2 -29.6 36.2 -30.4 12.9 36.2 1.9 C3'-endo 10 C -7.9 27.1 -35.0 30.9 -14.2 35.2 185.4 C3'-exo 11 C -13.5 28.1 -31.3 24.0 -6.6 31.5 173.5 C2'-endo 12 C -16.3 29.8 -31.3 22.3 -3.7 32.0 168.2 C2'-endo 13 C -18.3 30.0 -29.7 19.7 -0.9 31.0 163.2 C2'-endo 14 C -14.2 25.9 -27.3 19.4 -3.3 27.9 168.3 C2'-endo 15 C -15.6 28.0 -29.5 20.9 -3.3 30.2 167.9 C2'-endo 16 C 2.2 -22.6 32.8 -32.0 19.0 33.9 14.5 C3'-endo 17 C -20.3 33.1 -33.1 21.6 -0.8 34.6 163.1 C2'-endo 18 C -16.6 32.6 -35.2 26.2 -6.1 35.6 171.2 C2'-endo 19 C 17.4 -36.0 39.8 -29.5 7.7 40.1 352.5 C2'-exo 20 C 33.8 -37.3 27.3 -7.2 -17.1 38.0 316.1 C1'-endo 21 C 5.2 -24.6 33.4 -30.3 16.0 33.8 9.1 C3'-endo 22 C -13.5 23.5 -24.6 16.8 -2.0 25.3 166.5 C2'-endo 23 C -21.4 32.5 -30.1 18.3 2.0 32.4 157.9 C2'-endo 24 C 7.6 -30.2 39.1 -34.9 17.3 39.4 6.8 C3'-endo 25 C -18.1 31.8 -32.8 22.8 -2.9 33.7 166.6 C2'-endo 26 C -30.4 39.3 -32.8 15.6 9.4 38.8 147.9 C2'-endo 27 C -22.3 36.4 -36.0 23.6 -0.8 37.7 162.7 C2'-endo 28 C -34.1 42.6 -34.9 15.8 11.3 42.0 146.1 C2'-endo Low-current Conformation: 1 C 7.7 -33.7 45.3 -40.9 21.0 45.8 8.4 C3'-endo 2 C -11.1 24.8 -28.5 22.3 -7.0 28.5 175.7 C2'-endo 3 C -12.8 27.3 -30.5 23.5 -6.7 30.6 173.9 C2'-endo 4 C -20.5 35.3 -35.8 24.6 -2.6 37.0 165.4 C2'-endo 5 C -14.9 29.7 -32.8 24.7 -6.1 33.1 172.2 C2'-endo 6 C -16.5 29.3 -30.4 21.1 -2.9 31.2 166.9 C2'-endo 7 C -15.4 28.6 -29.8 21.5 -3.8 30.4 168.5 C2'-endo 8 C -25.2 37.4 -34.4 20.4 2.9 37.4 157.0 C2'-endo 9 C -14.5 27.8 -29.7 21.8 -4.6 30.1 170.2 C2'-endo 10 C -29.1 40.4 -35.9 20.1 5.6 40.1 153.5 C2'-endo 11 C -20.4 -13.5 40.0 -52.1 47.2 52.8 40.8 C4'-exo 12 C -20.0 32.4 -32.4 21.3 -0.7 33.9 163.0 C2'-endo 13 C -32.7 43.7 -38.3 20.6 7.4 43.5 151.8 C2'-endo 14 C -13.3 24.5 -25.7 18.2 -3.1 26.2 168.2 C2'-endo 15 C -30.1 40.0 -34.2 17.6 7.9 39.4 150.2 C2'-endo 16 C -43.0 47.6 -34.6 11.1 19.4 47.2 137.1 C1'-exo 17 C -20.7 29.7 -27.1 15.5 3.3 29.8 155.4 C2'-endo 18 C -18.2 29.5 -29.0 18.9 -0.5 30.5 162.4 C2'-endo 19 C -19.0 32.8 -33.8 23.4 -2.6 34.8 166.0 C2'-endo 20 C -6.6 24.0 -31.4 28.0 -13.5 31.6 186.5 C3'-exo 21 C -12.6 28.5 -32.7 25.8 -8.4 32.8 176.1 C2'-endo 22 C -16.7 29.7 -30.9 21.7 -3.2 31.7 167.4 C2'-endo 23 C -15.7 28.3 -29.7 20.9 -3.3 30.4 167.8 C2'-endo 24 C -14.2 26.6 -28.5 20.6 -4.1 28.9 169.6 C2'-endo 25 C -14.5 27.1 -28.6 20.6 -3.9 29.2 169.0 C2'-endo 26 C -18.0 29.9 -30.1 20.1 -1.3 31.3 164.1 C2'-endo 27 C -14.8 27.2 -28.8 20.6 -3.7 29.3 168.7 C2'-endo 28 C -13.5 27.5 -30.3 22.9 -5.9 30.6 172.5 C2'-endo