************************************** ************** **** CURVES+ Version 2.6 04/2014 **** * 30 Apr 18 * ************************************** ************** FILE : 1I0T.pdb ftop : LIS : 1I0T LIB : standard lig : ibld : sol : back : P wback : 2.90 wbase : 3.50 ISYM : 2 itst : 0 itnd : 0 itdel : 1 naxlim: 0 circ : F line : F zaxe : F FIT : T test : F ions : F refo : F axfrm : F frames: F LS fitting of standard bases ...RMS max = 0.056 Strands = 2 Atoms = 240 Units = 12 H removed = 0 Combined strands have 6 levels ... Strand 1 has 6 bases (5'-3'): CGCGCG Strand 2 has 6 bases (3'-5'): GCGCGC (A) BP-Axis Xdisp Ydisp Inclin Tip Ax-bend 1) C 1-G 12 -4.65 -1.76 3.5 -176.5 --- 2) G 2-C 11 -4.45 2.48 5.1 -176.5 0.5 3) C 3-G 10 -3.74 -2.34 4.0 -179.5 0.3 4) G 4-C 9 -4.08 2.37 2.0 -178.2 0.3 5) C 5-G 8 -4.39 -2.94 0.4 -177.5 0.3 6) G 6-C 7 -3.97 1.87 2.1 -177.5 0.5 Average: -4.21 -0.05 2.9 -177.6 Total bend = 2.0 ( 1 to 6) (B) Intra-BP parameters Strands 1-2 Shear Stretch Stagger Buckle Propel Opening 1) C 1-G 12 -0.07 -0.05 -0.11 1.5 -1.8 -2.2 2) G 2-C 11 0.12 -0.08 -0.17 -3.5 4.7 -0.7 3) C 3-G 10 -0.17 -0.07 -0.11 3.3 8.2 -2.0 4) G 4-C 9 0.14 -0.10 -0.12 -4.2 5.2 -1.8 5) C 5-G 8 -0.05 -0.10 0.03 5.8 -7.2 -0.1 6) G 6-C 7 0.10 -0.08 -0.11 -4.1 3.7 -0.9 Average: 0.01 -0.08 -0.10 -0.2 2.1 -1.3 (C) Inter-BP Shift Slide Rise Tilt Roll Twist H-Ris H-Twi 1) C 1/G 2 -0.23 5.50 3.60 -2.6 -1.2 -10.9 4.01 -11.1 2) G 2/C 3 -0.65 -0.31 3.15 -1.1 -7.1 -53.0 3.10 -53.3 3) C 3/G 4 0.41 5.60 3.68 1.6 0.9 -8.9 3.97 -8.8 4) G 4/C 5 0.69 -1.10 3.29 -0.6 -0.1 -49.7 3.28 -49.7 5) C 5/G 6 -0.11 5.57 3.74 -2.2 0.3 -8.3 3.82 -8.3 Average: 0.02 3.05 3.49 -1.0 -1.4 -26.0 3.64 -26.1 (D) Backbone Parameters Strand 1 Alpha Beta Gamma Delta Epsil Zeta Chi Phase Ampli Puckr 1) C 1 ---- ---- 55.3 139.9 -93.8 77.5 -145.3 148.0 36.1 C2'en 2) G 2 64.5 -175.7 175.8 100.1 -109.3 -74.2 63.6 32.7 23.2 C3'en 3) C 3 -145.8 -137.9 57.4 148.8 -89.9 77.4 -161.6 166.1 37.5 C2'en 4) G 4 70.6 -172.5 178.3 90.5 -125.7 -33.5 55.0 42.1 29.4 C4'ex 5) C 5 -162.9 -148.5 50.7 131.7 -94.1 64.9 -157.4 138.0 36.3 C1'ex 6) G 6 82.8 174.4 -177.2 148.0 ---- ---- 71.7 168.3 38.1 C2'en Strand 2 Alpha Beta Gamma Delta Epsil Zeta Chi Phase Ampli Puckr 1) G 12 84.5 -173.7 -172.8 149.9 ---- ---- 72.6 167.4 42.2 C2'en 2) C 11 -156.5 -130.7 53.1 143.8 -92.4 62.2 -160.2 155.4 39.4 C2'en 3) G 10 66.5 179.0 -178.9 98.4 -128.8 -57.5 61.2 22.7 23.2 C3'en 4) C 9 159.8 149.9 51.5 143.1 -94.0 71.9 -148.8 156.5 38.6 C2'en 5) G 8 70.2 -171.1 -178.9 94.5 -165.4 69.7 56.7 33.0 26.0 C3'en 6) C 7 ---- ---- -71.4 150.1 -92.6 71.2 -158.2 164.2 38.8 C2'en (E) Groove parameters Level W12 D12 W21 D21 1.5 2.0 G 2 2.5 3.0 C 3 6.6 4.0 8.9 -1.2 3.5 6.6 2.3 4.0 G 4 4.5 10.3 -0.3 5.0 C 5 5.5