4un3: virtual backbone torsions, dot-bracket notation, sugar puckers, glycosidic bond, suiteness calculated using X3DNA-DSSR
# | dbn | Residue | PTPoutlier | puckering | sugar class | Glyco | Eta | Theta | Eta' | Theta' | Eta" | Theta" | Suiteness |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | ( | 1..A.A.1. | C3'-endo | ~C3'-endo | anti | 255.616 | 235.732 | 271.328 | 0 | ||||
2 | ( | 1..A.U.2. | C3'-endo | ~C3'-endo | anti | 139.231 | 194.257 | 166.901 | 198.54 | 233.782 | 225.847 | 0.044 | |
3 | ( | 1..A.A.3. | C3'-endo | ~C3'-endo | anti | 161.974 | 198.066 | 173.004 | 200.433 | 209.648 | 208.883 | 0.176 | |
4 | ( | 1..A.A.4. | C3'-endo | ~C3'-endo | anti | 164.032 | 215.745 | 170.426 | 215.822 | 187.74 | 240.942 | 0.644 | |
5 | ( | 1..A.C.5. | C3'-endo | ~C3'-endo | anti | 172.973 | 212.735 | 186.438 | 216.014 | 226.47 | 240.38 | 0.917 | |
6 | ( | 1..A.U.6. | C3'-endo | ~C3'-endo | anti | 176.002 | 214.061 | 186.399 | 216.286 | 219.82 | 242.282 | 0.052 | |
7 | ( | 1..A.C.7. | C3'-endo | ~C3'-endo | anti | 162.125 | 215.378 | 173.4 | 214.659 | 212.284 | 239.23 | 0.441 | |
8 | ( | 1..A.A.8. | C3'-endo | ~C3'-endo | anti | 178.081 | 210.936 | 193.014 | 207.617 | 230.91 | 232.797 | 0.48 | |
9 | ( | 1..A.A.9. | C3'-endo | ~C3'-endo | anti | 155.48 | 215.094 | 175.056 | 213.054 | 217.765 | 232.482 | 0 | |
10 | ( | 1..A.U.10. | C3'-endo | ~C3'-endo | anti | 172.836 | 205.495 | 189.89 | 204.989 | 227.345 | 236.045 | 0.368 | |
11 | ( | 1..A.U.11. | C3'-endo | ~C3'-endo | anti | 171.41 | 211.518 | 184.874 | 210.808 | 230.201 | 231.46 | 0.834 | |
12 | ( | 1..A.U.12. | C3'-endo | ~C3'-endo | anti | 168.474 | 217.534 | 181.657 | 215.713 | 217.064 | 244.983 | 0.895 | |
13 | ( | 1..A.G.13. | C3'-endo | ~C3'-endo | anti | 160.959 | 204.37 | 175.631 | 205.108 | 223.278 | 219.193 | 0.91 | |
14 | ( | 1..A.U.14. | C3'-endo | ~C3'-endo | anti | 172.721 | 201.737 | 182.158 | 203.722 | 207.297 | 224.762 | 0.782 | |
15 | ( | 1..A.A.15. | C3'-endo | ~C3'-endo | anti | 175.591 | 209.469 | 186.566 | 210.737 | 218.292 | 238.509 | 0.772 | |
16 | ( | 1..A.A.16. | C3'-endo | ~C3'-endo | anti | 174.023 | 242.996 | 188.112 | 228.061 | 229.142 | 244.727 | 0.819 | |
17 | ( | 1..A.A.17. | C3'-endo | ~C3'-endo | anti | 157.385 | 174.075 | 171.941 | 185.348 | 214.292 | 211.428 | 0.173 | |
18 | ( | 1..A.A.18. | C3'-endo | ~C3'-endo | anti | 182.161 | 213.83 | 193.593 | 213.571 | 222.06 | 231.545 | 0.691 | |
19 | ( | 1..A.A.19. | C3'-endo | ~C3'-endo | anti | 167.751 | 227.397 | 181.098 | 220.604 | 215.182 | 236.163 | 0.875 | |
20 | ( | 1..A.A.20. | C3'-endo | ~C3'-endo | anti | 174.421 | 209.934 | 189.327 | 215.095 | 225.405 | 262.324 | 0 | |
21 | ( | 1..A.G.21. | C3'-endo | ~C3'-endo | anti | 167.983 | 219.39 | 190.553 | 223.299 | 255.883 | 260.516 | 0.728 | |
22 | ( | 1..A.U.22. | C3'-endo | ~C3'-endo | anti | 170.213 | 208.818 | 187.003 | 211.761 | 238.185 | 244.636 | 0.769 | |
23 | ( | 1..A.U.23. | C3'-endo | ~C3'-endo | anti | 170.728 | 229.777 | 183.947 | 221.721 | 227.165 | 241.142 | 0.36 | |
24 | ( | 1..A.U.24. | C3'-endo | ~C3'-endo | anti | 151.153 | 213.067 | 167.3 | 210.324 | 203.704 | 241.561 | 0.016 | |
25 | ( | 1..A.U.25. | C3'-endo | ~C3'-endo | anti | 163.827 | 218.816 | 182.425 | 216.088 | 233.763 | 238.221 | 0.426 | |
26 | ( | 1..A.A.26. | C3'-endo | ~C3'-endo | anti | 159.901 | 228.967 | 170.292 | 216.866 | 208.726 | 239.119 | 0.745 | |
27 | . | 1..A.G.27. | C2'-exo | ~C3'-endo | anti | 187.986 | 0.958 | 185.268 | 8.23 | 218.329 | 8.78 | 0.436 | |
28 | . | 1..A.A.28. | *** | C3'-exo | ~C2'-endo | anti | 254.541 | 314.099 | 279.678 | 292.175 | 286.365 | 276.17 | 0 |
29 | ( | 1..A.G.29. | C3'-endo | ~C3'-endo | anti | 247.4 | 161.935 | 282.9 | 181.906 | 320.866 | 229.744 | 0 | |
30 | ( | 1..A.C.30. | C3'-endo | ~C3'-endo | anti | 186.427 | 235.503 | 201.972 | 218.357 | 246.611 | 217.448 | 0.391 | |
31 | ( | 1..A.U.31. | C3'-endo | ~C3'-endo | anti | 162.574 | 226.403 | 168.335 | 214.786 | 185.035 | 229.542 | 0 | |
32 | ( | 1..A.A.32. | C3'-endo | ~C3'-endo | anti | 170.501 | 209.872 | 179.743 | 218.93 | 210.381 | 281.773 | 0 | |
33 | . | 1..A.G.33. | C3'-endo | ~C3'-endo | anti | 123.213 | 227.939 | 156.284 | 189.004 | 238.596 | 136.301 | 0.038 | |
34 | . | 1..A.A.34. | C3'-endo | ~C3'-endo | anti | 32.996 | 230.255 | 47.99 | 229.219 | 28.994 | 299.474 | 0 | |
35 | . | 1..A.A.35. | C3'-endo | ~C3'-endo | anti | 153.931 | 193.952 | 180.306 | 196.179 | 269.292 | 189.708 | 0 | |
36 | . | 1..A.A.36. | C3'-endo | ~C3'-endo | anti | 154.23 | 290.731 | 174.379 | 276.311 | 183.064 | 304.92 | 0.097 | |
37 | ) | 1..A.U.37. | C3'-endo | ~C3'-endo | anti | 158.992 | 219.667 | 204.123 | 208.959 | 277.139 | 224.106 | 0 | |
38 | ) | 1..A.A.38. | C2'-exo | ~C3'-endo | anti | 185.626 | 205.359 | 186.204 | 210.599 | 216.37 | 243.575 | 0 | |
39 | ) | 1..A.G.39. | C3'-endo | ~C3'-endo | anti | 151.997 | 227.262 | 178.074 | 217.619 | 223.669 | 255.088 | 0.131 | |
40 | ) | 1..A.C.40. | C3'-endo | ~C3'-endo | anti | 150.546 | 196.885 | 172.329 | 200.122 | 232.697 | 233.452 | 0 | |
41 | . | 1..A.A.41. | C3'-endo | ~C3'-endo | anti | 180.155 | 254.546 | 195.81 | 241.963 | 240.542 | 276.138 | 0.164 | |
42 | . | 1..A.A.42. | C2'-exo | ~C3'-endo | anti | 188.56 | 202.381 | 199.551 | 224.695 | 259.174 | 276.147 | 0 | |
43 | . | 1..A.G.43. | C2'-endo | ~C2'-endo | anti | 181.788 | 296.406 | 229.11 | 279.064 | 277.388 | 307.23 | 0 | |
44 | . | 1..A.U.44. | C2'-endo | ~C2'-endo | anti | 155.733 | 315.838 | 208.203 | 304.348 | 231.239 | 329.037 | 0.246 | |
45 | ) | 1..A.U.45. | C3'-endo | ~C3'-endo | anti | 152.929 | 208.453 | 200.46 | 212.791 | 240.864 | 235.85 | 0.372 | |
46 | ) | 1..A.A.46. | C3'-endo | ~C3'-endo | anti | 180.274 | 210.846 | 194.255 | 210.838 | 227.952 | 234.628 | 0.755 | |
47 | ) | 1..A.A.47. | C3'-endo | ~C3'-endo | anti | 174.506 | 231.866 | 185.822 | 232.553 | 220.828 | 271.779 | 0.798 | |
48 | ) | 1..A.A.48. | C3'-endo | ~C3'-endo | anti | 155.625 | 203.941 | 177.193 | 202.919 | 235.96 | 216.657 | 0.841 | |
49 | ) | 1..A.A.49. | C3'-endo | ~C3'-endo | anti | 170.245 | 227.098 | 177.135 | 229.19 | 200.815 | 264.681 | 0.907 | |
50 | ) | 1..A.U.50. | C3'-endo | ~C3'-endo | anti | 173.582 | 107.469 | 190.695 | 105.923 | 239.561 | 113.409 | 0.731 | |
51 | . | 1..A.A.51. | C4'-exo | ~C3'-endo | syn | 299.074 | 157.181 | 277.874 | 183 | 272.758 | 190.003 | 0 | |
52 | . | 1..A.A.52. | C3'-endo | ~C3'-endo | anti | 178.901 | 270.627 | 189.145 | 284.361 | 181.067 | 306.365 | 0.371 | |
53 | ( | 1..A.G.53. | C3'-endo | ~C3'-endo | anti | 177.551 | 201.527 | 231.587 | 196.947 | 295.399 | 215.644 | 0.177 | |
54 | ( | 1..A.G.54. | C3'-endo | ~C3'-endo | anti | 179.456 | 206.45 | 189.608 | 216.602 | 218.428 | 219.675 | 0.931 | |
55 | ( | 1..A.C.55. | C2'-endo | ~C2'-endo | anti | 167.652 | 238.643 | 211.109 | 172.756 | 217.983 | 95.429 | 0.345 | |
56 | . | 1..A.U.56. | C2'-endo | ~C2'-endo | anti | 82.671 | 289.239 | 107.658 | 267.527 | 52.039 | 292.626 | 0 | |
57 | . | 1..A.A.57. | C2'-endo | ~C2'-endo | anti | 173.357 | 88.157 | 219.757 | 75.511 | 253.346 | 78.242 | 0.477 | |
58 | ) | 1..A.G.58. | C3'-endo | ~C3'-endo | anti | 157.471 | 265.12 | 168.297 | 251.306 | 164.044 | 233.86 | 0.015 | |
59 | . | 1..A.U.59. | *** | C3'-endo | ~C3'-endo | anti | 306.032 | 29.551 | 318.33 | 51.724 | 311.513 | 88.774 | 0 |
60 | ) | 1..A.C.60. | C3'-endo | ~C3'-endo | anti | 168.995 | 218.671 | 165.978 | 217.85 | 145.892 | 244.748 | 0.156 | |
61 | ) | 1..A.C.61. | C3'-endo | ~C3'-endo | anti | 163.182 | 209.917 | 177.467 | 213.038 | 222.235 | 237.395 | 0.934 | |
62 | . | 1..A.G.62. | C3'-endo | ~C3'-endo | anti | 189.934 | 174.723 | 194.986 | 208.197 | 220.975 | 220.595 | 0.919 | |
63 | . | 1..A.U.63. | C2'-endo | ~C2'-endo | anti | 227.415 | 327.043 | 220.982 | 304.522 | 202.959 | 338.859 | 0.011 | |
64 | . | 1..A.U.64. | C3'-endo | ~C3'-endo | anti | 159.217 | 229.862 | 202.95 | 234.463 | 216.171 | 273.828 | 0.654 | |
65 | . | 1..A.A.65. | C3'-endo | ~C3'-endo | anti | 176.941 | 244.773 | 198.29 | 245.712 | 257.412 | 291.562 | 0.803 | |
66 | . | 1..A.U.66. | C3'-endo | ~C3'-endo | anti | 155.46 | 217.619 | 180.601 | 223.136 | 251.309 | 251.022 | 0.67 | |
67 | . | 1..A.C.67. | C3'-endo | ~C3'-endo | anti | 179.717 | 192.662 | 190.707 | 179.322 | 226.705 | 177.203 | 0.842 | |
68 | . | 1..A.A.68. | C3'-endo | ~C3'-endo | anti | 358.052 | 210.76 | 349.678 | 214.522 | 327.42 | 267.444 | 0 | |
69 | ( | 1..A.A.69. | C3'-endo | ~C3'-endo | anti | 144.313 | 210.825 | 174.907 | 213.019 | 248.735 | 244.605 | 0 | |
70 | ( | 1..A.C.70. | C3'-endo | ~C3'-endo | anti | 166.265 | 219.911 | 178.439 | 220.904 | 222.45 | 254.235 | 0.586 | |
71 | ( | 1..A.U.71. | C3'-endo | ~C3'-endo | anti | 159.67 | 230.745 | 175.235 | 229.394 | 227.421 | 256.915 | 0.962 | |
72 | ( | 1..A.U.72. | C3'-endo | ~C3'-endo | anti | 163.368 | 219.121 | 179.959 | 216.773 | 227.507 | 262.014 | 0.678 | |
73 | . | 1..A.G.73. | C3'-endo | ~C3'-endo | anti | 163.467 | 247.706 | 178.725 | 198.244 | 237.965 | 136.75 | 0.312 | |
74 | . | 1..A.A.74. | C3'-endo | ~C3'-endo | anti | 354.731 | 248.158 | 38.923 | 234.944 | 23.732 | 279.194 | 0 | |
75 | . | 1..A.A.75. | C3'-endo | ~C3'-endo | anti | 160.384 | 212.835 | 185.898 | 210.919 | 262.729 | 247.601 | 0 | |
76 | . | 1..A.A.76. | C3'-endo | ~C3'-endo | anti | 172.634 | 253.736 | 183.276 | 263.694 | 234.233 | 301.068 | 0.591 | |
77 | ) | 1..A.A.77. | C3'-endo | ~C3'-endo | anti | 162.573 | 216.252 | 213.261 | 203.438 | 288.963 | 206.726 | 0.038 | |
78 | ) | 1..A.A.78. | C3'-endo | ~C3'-endo | anti | 178.582 | 228.296 | 193.425 | 223.184 | 217.212 | 273.004 | 0.489 | |
79 | ) | 1..A.G.79. | C3'-endo | ~C3'-endo | anti | 143.477 | 214.312 | 162.903 | 216.02 | 233.765 | 236.645 | 0 | |
80 | ) | 1..A.U.80. | C3'-endo | ~C3'-endo | anti | 177.606 | 190.947 | 186.226 | 208.736 | 216.481 | 196.833 | 0.366 | |
81 | . | 1..A.G.81. | C2'-endo | ~C2'-endo | anti | 0.344 | |||||||
82 | [ | 1..C.DC.1. | C3'-endo | ~C3'-endo | anti | 0 | |||||||
83 | [ | 1..C.DA.2. | C2'-endo | ~C2'-endo | anti | 157.156 | 246.418 | 234.027 | 197.499 | 275.587 | 242.433 | 0.415 | |
84 | [ | 1..C.DA.3. | C2'-endo | ~C2'-endo | anti | 125.477 | 252.597 | 180.89 | 205.729 | 230.649 | 254.468 | 0 | |
85 | [ | 1..C.DT.4. | C1'-exo | ~C2'-endo | anti | 167.025 | 192.886 | 189.454 | 193.205 | 244.441 | 238.948 | 0 | |
86 | [ | 1..C.DA.5. | C2'-endo | ~C2'-endo | anti | 165.288 | 210.278 | 189.975 | 191.216 | 236.539 | 226.546 | 0 | |
87 | [ | 1..C.DC.6. | C1'-exo | ~C2'-endo | anti | 172.594 | 217.743 | 187.156 | 206.175 | 227.874 | 248.726 | 0 | |
88 | [ | 1..C.DC.7. | O4'-endo | -- | anti | 173.458 | 202.84 | 188.24 | 208.121 | 238.612 | 254.259 | 0 | |
89 | [ | 1..C.DA.8. | C2'-endo | ~C2'-endo | anti | 201.61 | 324.678 | 223.427 | 294.003 | 262.624 | 302.824 | 0.144 | |
90 | ) | 1..C.DT.9. | O4'-endo | -- | anti | 288.034 | 151.997 | 318.91 | 165.603 | 324.383 | 194.287 | 0.334 | |
91 | ) | 1..C.DT.10. | C4'-exo | ~C3'-endo | anti | 171.276 | 211.309 | 180.245 | 209.716 | 212.908 | 238.608 | 0.431 | |
92 | ) | 1..C.DT.11. | C4'-exo | ~C3'-endo | anti | 159.273 | 197.914 | 176.198 | 195.684 | 218.405 | 221.823 | 0.753 | |
93 | ) | 1..C.DT.12. | C3'-endo | ~C3'-endo | anti | 170.004 | 199.498 | 178.547 | 200.625 | 215.85 | 213.764 | 0.755 | |
94 | ) | 1..C.DT.13. | C3'-endo | ~C3'-endo | anti | 175.315 | 204.898 | 183.092 | 206.381 | 203.694 | 231.556 | 0.889 | |
95 | ) | 1..C.DT.14. | C3'-endo | ~C3'-endo | anti | 172.849 | 214.169 | 184.941 | 214.021 | 220.885 | 237.242 | 0.919 | |
96 | ) | 1..C.DA.15. | C3'-endo | ~C3'-endo | anti | 167.412 | 214.833 | 180.334 | 215.356 | 217.109 | 236.3 | 0.979 | |
97 | ) | 1..C.DC.16. | C3'-endo | ~C3'-endo | anti | 174.734 | 193.117 | 188.54 | 196.414 | 221.703 | 216.38 | 0.787 | |
98 | ) | 1..C.DA.17. | C3'-endo | ~C3'-endo | anti | 170.097 | 214.594 | 181.776 | 211.445 | 208.862 | 239.72 | 0.629 | |
99 | ) | 1..C.DA.18. | C3'-endo | ~C3'-endo | anti | 174.523 | 225.027 | 192.526 | 219.244 | 235.779 | 247.594 | 0.745 | |
100 | ) | 1..C.DA.19. | C3'-exo | -- | anti | 185.773 | 220.29 | 203.495 | 219.675 | 242.574 | 240.743 | 0 | |
101 | ) | 1..C.DT.20. | O4'-endo | -- | anti | 156.861 | 200.243 | 189.563 | 201.472 | 222.131 | 236.802 | 0 | |
102 | ) | 1..C.DT.21. | C1'-exo | ~C2'-endo | anti | 172.902 | 237.307 | 192.928 | 228.302 | 232.181 | 239.908 | 0.01 | |
103 | ) | 1..C.DG.22. | C2'-endo | ~C2'-endo | anti | 143.539 | 174.915 | 173.896 | 163.086 | 193.997 | 217.217 | 0 | |
104 | ) | 1..C.DA.23. | C3'-endo | ~C3'-endo | anti | 160.186 | 240.814 | 156.722 | 224.378 | 219.088 | 241.066 | 0 | |
105 | ) | 1..C.DG.24. | C3'-endo | ~C3'-endo | anti | 156.905 | 186.472 | 171.173 | 192.639 | 210.73 | 216.25 | 0.781 | |
106 | ) | 1..C.DT.25. | C3'-endo | ~C3'-endo | anti | 163.22 | 215.265 | 172.838 | 219.154 | 204.218 | 254.348 | 0.856 | |
107 | ) | 1..C.DT.26. | C3'-endo | ~C3'-endo | anti | 173.197 | 232.097 | 190.445 | 221.678 | 239.76 | 234.253 | 0.839 | |
108 | ) | 1..C.DA.27. | C3'-endo | ~C3'-endo | anti | 167.794 | 183.417 | 183.709 | 194.318 | 217.17 | 222.823 | 0 | |
109 | ) | 1..C.DT.28. | C2'-endo | ~C2'-endo | anti | 0.61 | |||||||
110 | . | 1..D.DA.2. | C3'-exo | ~C2'-endo | anti | 0 | |||||||
111 | . | 1..D.DA.3. | C3'-exo | ~C2'-endo | anti | 238.633 | 179.963 | 215.079 | 212.404 | 263.261 | 269.294 | 0 | |
112 | . | 1..D.DA.4. | C2'-endo | ~C2'-endo | anti | 171.628 | 205.545 | 218.619 | 200.906 | 270.121 | 260.984 | 0 | |
113 | ] | 1..D.DT.5. | C1'-exo | ~C2'-endo | anti | 183.245 | 181.901 | 203.058 | 175.839 | 255.723 | 218.427 | 0.02 | |
114 | ] | 1..D.DG.6. | C2'-endo | ~C2'-endo | anti | 146.358 | 220.909 | 184.502 | 186.087 | 224.379 | 222.767 | 0.01 | |
115 | ] | 1..D.DG.7. | C3'-exo | ~C2'-endo | anti | 180.807 | 224.502 | 194.859 | 208.347 | 232.283 | 243.108 | 0 | |
116 | ] | 1..D.DT.8. | O4'-endo | -- | anti | 162.603 | 186.494 | 179.235 | 190.567 | 220.927 | 235.18 | 0 | |
117 | ] | 1..D.DA.9. | C2'-endo | ~C2'-endo | anti | 171.473 | 226.523 | 202.987 | 205.642 | 247.742 | 243.983 | 0.133 | |
118 | ] | 1..D.DT.10. | C2'-endo | ~C2'-endo | anti | 170.022 | 205.368 | 191.735 | 197.68 | 236.496 | 248.813 | 0 | |
119 | ] | 1..D.DT.11. | C1'-exo | ~C2'-endo | anti | 175.995 | 215.738 | 202.444 | 206.412 | 257.411 | 239.97 | 0 | |
120 | ] | 1..D.DG.12. | C2'-endo | ~C2'-endo | anti | 0 |