************************************** ************** **** CURVES+ Version 3.0nc 09/2016 *** * 11 Sep 19 * ************************************** ************** FILE : 355d.pdb ftop : LIS : 355d LIB : standard ibld : sol : back : P wback : 2.90 wbase : 3.50 rvfac : 7.50 ISYM : 1 itst : 0 itnd : 0 itdel : 1 itbkt : 0 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 = 0.039 Strands = 2 Atoms = 494 Units = 26 Combined strands have 12 levels ... Strand 1 has 12 bases (5'-3'): CGCGAATTCGCG Strand 2 has 12 bases (3'-5'): GCGCTTAAGCGC (A) BP-Axis Xdisp Ydisp Inclin Tip Ax-bend 1) C 1-G 24 -0.37 -0.52 6.3 0.6 --- 2) G 2-C 23 -0.26 -0.39 4.7 5.8 0.4 3) C 3-G 22 0.11 -0.21 6.2 -9.8 0.5 4) G 4-C 21 -0.21 0.21 4.5 0.3 0.4 5) A 5-T 20 -0.59 0.06 1.0 -1.0 0.9 6) A 6-T 19 -0.41 0.10 -1.1 -0.6 1.0 7) T 7-A 18 -0.38 0.01 -3.6 -2.2 1.5 8) T 8-A 17 -0.31 -0.05 -3.7 1.0 2.4 9) C 9-G 16 -0.46 -0.08 -0.9 1.4 1.7 10) G 10-C 15 0.77 0.69 -1.4 8.8 1.4 11) C 11-G 14 0.03 0.55 -0.7 -1.1 1.2 12) G 12-C 13 0.15 0.67 2.1 6.2 1.4 Average: -0.16 0.09 1.1 0.8 Total bend = 11.6 ( 1 to 12) (B) Intra-BP parameters Strands 1-2 Shear Stretch Stagger Buckle Propel Opening 1) C 1-G 24 0.13 -0.06 0.14 7.2 -18.5 0.3 2) G 2-C 23 -0.09 -0.10 0.56 9.7 -15.6 -0.6 3) C 3-G 22 0.11 -0.09 0.21 -5.3 -6.4 1.7 4) G 4-C 21 -0.11 -0.02 0.05 11.8 -10.2 2.5 5) A 5-T 20 -0.03 -0.09 0.09 5.2 -16.5 3.6 6) A 6-T 19 0.04 -0.03 0.13 0.7 -16.0 8.1 7) T 7-A 18 -0.03 -0.10 0.24 -0.5 -17.6 6.0 8) T 8-A 17 -0.10 -0.11 0.08 -1.3 -17.9 6.9 9) C 9-G 16 0.05 -0.04 0.05 -13.4 -11.2 0.1 10) G 10-C 15 0.04 0.03 0.26 4.7 -9.9 4.9 11) C 11-G 14 0.01 -0.05 0.28 -0.5 -18.7 -0.9 12) G 12-C 13 -0.08 0.02 0.28 5.1 -5.4 -0.4 Average: -0.01 -0.05 0.20 2.0 -13.7 2.7 (C) Inter-BP Shift Slide Rise Tilt Roll Twist H-Ris H-Twi 1) C 1/G 2 0.07 0.13 3.19 -3.3 8.8 34.7 3.18 35.3 2) G 2/C 3 0.52 0.58 3.74 3.0 -10.6 41.8 3.80 41.3 3) C 3/G 4 -0.13 0.69 2.94 1.1 12.6 27.0 2.97 27.6 4) G 4/A 5 -0.47 -0.14 3.39 -2.3 0.8 36.6 3.37 36.6 5) A 5/A 6 0.16 -0.30 3.30 -0.6 -0.1 37.4 3.31 37.4 6) A 6/T 7 -0.01 -0.58 3.23 -0.3 -3.4 32.4 3.25 32.4 7) T 7/T 8 -0.08 -0.39 3.20 1.5 -1.0 33.7 3.23 33.8 8) T 8/C 9 -0.27 -0.25 3.49 1.5 -3.0 41.0 3.52 41.1 9) C 9/G 10 0.71 0.86 3.03 -3.6 5.4 28.7 2.93 28.9 10) G 10/C 11 -1.33 0.27 3.42 -3.1 -10.9 39.5 3.51 39.7 11) C 11/G 12 -0.30 0.30 3.14 -0.2 7.7 35.4 3.17 35.5 Average: -0.10 0.11 3.28 -0.6 0.6 35.3 3.29 35.4 (D) Backbone Parameters Strand 1 Alpha Beta Gamma Delta Epsil Zeta Chi Phase Ampli Puckr 1) C 1 ---- ---- -70.0 144.7 -171.8 -98.4 -105.9 163.7 35.2 C2'en 2) G 2 -69.8 -172.2 43.0 148.1 -151.3 -157.0 -85.4 160.4 38.0 C2'en 3) C 3 -39.4 130.5 50.1 93.3 -165.4 -81.2 -132.4 65.1 33.5 C4'ex 4) G 4 -64.8 174.4 50.1 145.0 -167.3 -144.6 -93.7 156.6 37.9 C2'en 5) A 5 -47.1 156.2 53.7 133.0 -177.5 -90.7 -118.6 158.3 32.1 C2'en 6) A 6 -64.2 -173.0 46.3 128.0 176.9 -95.8 -109.2 153.0 31.2 C2'en 7) T 7 -49.0 172.9 48.6 112.7 -176.6 -95.6 -119.6 125.9 35.2 C1'ex 8) T 8 -54.1 168.3 53.4 114.0 171.5 -95.0 -119.9 127.5 37.2 C1'ex 9) C 9 -53.3 -173.2 50.8 138.3 -155.9 -96.3 -112.3 158.2 32.8 C2'en 10) G 10 -60.3 163.2 39.5 143.2 -100.0 146.3 -83.6 146.6 44.9 C2'en 11) C 11 -73.1 144.3 50.8 143.5 -164.4 -126.1 -112.8 164.0 37.3 C2'en 12) G 12 52.9 144.1 -65.6 147.9 ---- ---- -79.3 -153.0 25.9 C3'ex Strand 2 Alpha Beta Gamma Delta Epsil Zeta Chi Phase Ampli Puckr 1) G 24 -62.1 169.8 52.8 87.7 ---- ---- -141.3 13.5 35.0 C3'en 2) C 23 -57.2 129.7 51.4 83.8 -161.3 -77.6 -150.3 17.2 36.9 C3'en 3) G 22 -67.1 177.0 45.3 143.5 -148.6 -173.0 -86.2 151.9 41.4 C2'en 4) C 21 -58.1 159.5 51.3 95.5 -170.1 -81.3 -124.4 93.6 40.8 O1'en 5) T 20 -44.5 171.8 43.4 135.3 -164.1 -106.8 -110.1 151.8 37.8 C2'en 6) T 19 -49.1 178.5 51.6 127.6 -172.8 -106.8 -115.9 143.4 34.7 C1'ex 7) A 18 -61.5 175.7 45.3 113.1 166.4 -91.2 -112.4 127.9 32.8 C1'ex 8) A 17 -56.3 -160.2 54.1 145.8 -178.3 -91.9 -108.3 173.4 31.8 C2'en 9) G 16 -61.6 175.5 62.1 140.9 150.8 -89.6 -101.7 169.0 31.4 C2'en 10) C 15 -56.8 160.1 56.8 82.1 -174.4 -84.7 -137.2 41.6 38.3 C4'ex 11) G 14 -58.3 166.6 49.5 115.0 178.2 -94.3 -110.2 130.1 33.6 C1'ex 12) C 13 ---- ---- 58.5 138.1 -169.0 -104.8 -106.9 163.6 31.1 C2'en (E) Groove parameters Level W12 D12 W21 D21 1.5 2.0 G 2 2.5 3.0 C 3 3.5 8.7 5.1 4.0 G 4 7.7 5.0 11.6 4.6 4.5 6.1 5.1 11.5 4.5 5.0 A 5 4.6 5.2 12.4 5.5 5.5 3.7 5.4 11.8 6.0 6.0 A 6 3.1 5.4 11.3 5.5 6.5 3.2 5.3 10.3 4.8 7.0 T 7 3.5 5.4 10.5 4.9 7.5 2.9 5.5 11.8 5.0 8.0 T 8 3.1 5.5 12.4 4.0 8.5 3.7 5.5 12.8 3.5 9.0 C 9 4.5 5.6 13.1 3.4 9.5 13.0 2.1 10.0 G 10 10.5 11.0 C 11 11.5 (F) Curvature analysis N BP step Cur Rad Reg --------------------------------------------- 2) G 2/C 3 0.181 220.584 -108.127 3) C 3/G 4 0.212 189.113 -148.066 4) G 4/A 5 0.380 105.301 179.922 5) A 5/A 6 0.731 54.694 173.345 6) A 6/T 7 0.745 53.686 117.712 7) T 7/T 8 0.452 88.446 85.364 8) T 8/C 9 0.499 80.168 106.739 9) C 9/G 10 0.406 98.601 79.388 10) G 10/C 11 0.297 134.813 26.338 = 0.434 std. dev. = 0.190