NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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614314 |
2nc9   |
26011 | cing | 1-original | 1 | unknown | dihedral angle |
REMARK TALOS+ Protein Backbone Torsion Angle Prediction Table REMARK Prediction Summary for Chemical Shift Input talos_shifts.tbl REMARK REMARK PHI is the predicted torsion angle C(i-1) N(i) CA(i) C(i) (degrees). REMARK PSI is the predicted torsion angle N(i) CA(i) C(i) N(i+1) (degrees). REMARK REMARK DPHI and DPSI are the estimated standard deviations of the REMARK prediction errors in PHI and PSI (degrees). REMARK REMARK DIST is the TALOS+ database matching score. REMARK REMARK S2 is the Wishart RCI chemical shift order parameter, REMARK JACS, 127(43), 14970-14971. REMARK REMARK COUNT is the number of database triplets used to form REMARK the torsion angle predictions. REMARK REMARK CLASS is the classification of the prediction result: REMARK None: no torsion prediction was made. REMARK REMARK Good: majority consensus in database matches; REMARK prediction is likely to be good. REMARK REMARK Warn: no consensus in database matches, do not use prediction. REMARK REMARK Dyn: RCI S2 value indicates that residue has dynamic conformation. REMARK REMARK Reference: REMARK Y. Shen, F. Delaglio, G. Cornilescu, and A. Bax: REMARK TALOS plus: A hybrid method for predicting protein REMARK torsion angles from NMR chemical shifts. REMARK J. Biomol. NMR 44, 213-223 (2009). REMARK REMARK TALOS+ Version 3.60F1 Rev 2011.080.13.41 TALOS_INFO DATA FIRST_RESID 1 DATA SEQUENCE GPHMASLPEN KKQALKEKEL GNDAYKKKDF DTALKHYDKA KELDPTNMTY DATA SEQUENCE ITNQAAVYFE KGDYNKCREL CEKAIEVGRE NREDYRQIAK AYARIGNSYF DATA SEQUENCE KEEKYKDAIH FYNKSLAEHR TPDVLKKCQQ AEKILKEQE VARS RESID RESNAME PHI PSI DPHI DPSI DIST S2 COUNT CS_COUNT CLASS FORMAT %4d %s %8.3f %8.3f %8.3f %8.3f %8.3f %5.3f %2d %2d %s 9 E 9999.000 9999.000 0.000 0.000 0.000 0.000 0 15 None 10 N -63.202 -43.349 5.893 5.240 30.824 0.888 10 14 Good 11 K -61.666 -41.962 3.914 5.715 14.345 0.891 10 15 Good 12 K -63.479 -42.076 7.172 6.754 12.805 0.892 10 15 Good 13 Q -65.304 -38.385 7.111 10.771 13.855 0.889 10 15 Good 14 A -61.097 -43.202 4.239 5.258 14.230 0.884 10 15 Good 15 L -62.562 -41.739 4.674 4.935 14.388 0.885 10 15 Good 16 K -63.960 -42.510 5.226 6.900 14.249 0.892 10 15 Good 17 E -64.803 -40.343 5.450 6.156 14.957 0.903 10 15 Good 18 K -62.372 -38.866 4.860 5.993 14.655 0.909 10 15 Good 19 E -63.768 -42.540 4.430 4.955 15.926 0.908 10 15 Good 20 L -64.786 -36.399 4.613 3.357 24.133 0.900 10 14 Good 21 G -66.466 -41.655 7.134 4.652 26.683 0.896 10 14 Good 22 N -66.081 -37.651 3.583 7.966 24.505 0.895 10 14 Good 23 D -63.727 -39.385 7.619 11.114 16.304 0.905 10 15 Good 24 A -65.229 -36.870 6.281 10.148 16.276 0.903 10 15 Good 25 Y -66.837 -40.380 3.982 4.586 16.496 0.895 10 15 Good 26 K -65.529 -27.054 5.508 8.308 17.792 0.882 10 15 Good 27 K -93.860 10.384 9.016 11.841 20.803 0.872 10 15 Good 28 K 62.574 32.652 5.268 8.385 31.719 0.875 10 15 Good 29 D -98.456 109.050 15.450 45.865 44.068 0.877 10 15 Warn 30 F -55.605 -39.892 8.459 10.650 32.324 0.894 10 15 Good 31 D -66.202 -36.069 7.678 5.752 19.221 0.906 10 15 Good 32 T -67.757 -38.897 8.222 6.400 18.860 0.913 10 15 Good 33 A -62.239 -41.922 5.333 4.374 21.766 0.907 10 15 Good 34 L -63.006 -41.555 6.124 3.359 17.380 0.903 10 15 Good 35 K -63.437 -41.141 4.052 8.562 15.620 0.900 10 15 Good 36 H -64.829 -40.388 4.228 7.420 17.257 0.903 10 15 Good 37 Y -67.838 -39.889 8.205 6.484 16.468 0.891 10 15 Good 38 D -63.811 -36.528 9.210 8.428 17.169 0.893 10 15 Good 39 K -68.266 -41.916 4.879 4.305 18.101 0.877 10 15 Good 40 A -63.261 -40.900 3.775 5.142 20.300 0.882 10 15 Good 41 K -61.003 -42.027 7.332 6.444 19.088 0.870 10 15 Good 42 E -72.296 -36.967 6.570 5.990 16.318 0.867 10 15 Good 43 L -75.264 -33.608 10.240 9.364 22.913 0.830 10 14 Good 44 D -132.048 83.461 23.377 18.982 57.817 0.804 10 13 Good 45 P -63.255 -18.736 10.988 6.182 61.901 0.781 10 13 Good 46 T -86.535 -8.105 16.478 20.355 56.412 0.797 10 14 Good 47 N -94.366 119.005 22.029 21.516 29.501 0.824 10 15 Warn 48 M -56.397 -35.119 6.832 9.292 24.145 0.854 10 15 Good 49 T -62.336 -39.735 10.780 9.515 24.212 0.862 10 15 Good 50 Y -67.480 -34.061 6.815 16.417 22.932 0.868 10 15 Good 51 I -66.599 -42.186 9.727 5.263 23.784 0.884 10 15 Good 52 T -64.805 -36.515 8.926 7.787 20.674 0.905 10 15 Good 53 N -65.841 -40.951 4.742 5.777 18.386 0.912 10 15 Good 54 Q -63.788 -42.320 3.269 4.897 17.227 0.908 10 15 Good 55 A -63.600 -40.764 5.318 6.736 14.423 0.904 10 15 Good 56 A -64.361 -41.426 2.422 8.450 15.806 0.909 10 15 Good 57 V -62.668 -47.586 4.373 5.051 18.587 0.920 10 15 Good 58 Y -61.969 -38.076 6.693 5.258 19.037 0.928 10 15 Good 59 F -64.058 -41.484 5.667 3.278 18.805 0.918 10 15 Good 60 E -62.385 -34.693 3.424 9.834 17.653 0.886 10 15 Good 61 K -85.346 -11.301 10.094 12.739 25.729 0.839 10 14 Good 62 G 85.460 13.520 12.421 14.169 43.649 0.824 10 14 Good 63 D -93.941 93.014 14.576 29.481 42.312 0.835 10 14 Good 64 Y -61.298 -27.437 3.854 6.760 26.611 0.868 10 15 Good 65 N -66.962 -39.909 3.631 5.173 16.889 0.886 10 15 Good 66 K -67.291 -41.547 5.763 4.874 18.612 0.888 10 15 Good 67 C -62.055 -36.738 2.479 8.438 18.739 0.897 10 15 Good 68 R -61.322 -42.741 4.891 6.675 15.200 0.895 10 15 Good 69 E -67.401 -40.182 6.014 6.619 14.057 0.905 10 15 Good 70 L -63.358 -41.343 6.329 6.470 14.994 0.908 10 15 Good 71 C -57.248 -47.750 8.226 7.419 15.588 0.915 10 15 Good 72 E -62.416 -43.631 5.771 6.107 15.694 0.911 10 15 Good 73 K -64.537 -42.409 5.069 4.705 14.950 0.899 10 15 Good 74 A -64.935 -39.561 2.845 4.190 15.812 0.900 10 15 Good 75 I -63.617 -44.329 6.005 5.026 14.720 0.907 10 15 Good 76 E -63.486 -40.621 4.065 7.437 16.130 0.915 10 15 Good 77 V -67.551 -41.980 4.767 4.496 22.737 0.906 10 14 Good 78 G -62.919 -42.396 2.955 5.920 24.186 0.890 10 14 Good 79 R -63.146 -40.405 7.403 10.314 21.526 0.875 10 14 Good 80 E -60.767 -33.213 3.291 7.057 18.413 0.854 10 15 Good 81 N -95.786 4.450 12.483 10.542 21.564 0.815 10 15 Good 82 R 59.676 39.605 16.213 14.796 25.076 0.805 10 15 Good 83 E -86.056 146.764 17.314 9.636 31.898 0.810 10 15 Good 84 D -77.779 129.329 29.529 24.000 43.572 0.858 10 15 Good 85 Y -59.343 -31.079 5.761 10.348 28.824 0.881 10 15 Good 86 R -64.617 -39.657 9.239 7.892 20.842 0.905 10 15 Good 87 Q -66.084 -39.221 5.953 4.870 16.644 0.907 10 15 Good 88 I -64.137 -42.883 4.643 4.973 18.047 0.912 10 15 Good 89 A -61.398 -41.460 5.761 7.269 19.461 0.906 10 15 Good 90 K -68.184 -38.192 4.666 6.126 17.703 0.894 10 15 Good 91 A -62.638 -42.353 4.137 3.068 16.528 0.885 10 15 Good 92 Y -65.000 -40.730 4.319 7.458 16.582 0.883 10 15 Good 93 A -62.476 -42.306 4.151 6.419 17.191 0.894 10 15 Good 94 R -62.496 -42.027 3.768 3.561 18.513 0.904 10 15 Good 95 I -62.962 -42.280 5.226 5.071 25.692 0.910 10 14 Good 96 G -65.353 -40.609 7.429 5.755 26.135 0.899 10 14 Good 97 N -68.598 -36.902 6.503 6.239 25.183 0.889 10 14 Good 98 S -66.429 -41.431 4.184 4.364 18.304 0.892 10 15 Good 99 Y -64.008 -41.319 6.555 9.782 21.627 0.900 10 15 Good 100 F -66.819 -40.928 4.463 5.745 19.072 0.899 10 15 Good 101 K -63.709 -31.614 8.826 7.331 23.349 0.882 10 15 Good 102 E -92.628 10.138 9.214 11.994 30.629 0.874 10 15 Good 103 E 61.210 32.784 6.901 10.338 32.047 0.884 10 15 Good 104 K -100.548 125.575 18.059 47.974 41.574 0.898 9 15 Warn 105 Y -62.496 -32.817 3.051 6.585 24.974 0.914 10 15 Good 106 K -63.833 -41.081 4.298 4.982 15.293 0.913 10 15 Good 107 D -64.621 -42.186 3.309 8.051 16.022 0.910 10 15 Good 108 A -61.906 -41.445 4.147 5.392 18.625 0.906 10 15 Good 109 I -62.004 -42.844 5.522 3.053 18.305 0.914 10 15 Good 110 H -61.081 -41.403 4.674 5.926 18.895 0.924 10 15 Good 111 F -62.115 -41.239 6.792 7.843 22.461 0.925 10 15 Good 112 Y -67.028 -40.311 3.765 6.206 20.249 0.908 10 15 Good 113 N -63.264 -39.015 5.987 6.751 19.630 0.901 10 15 Good 114 K -66.634 -43.375 3.333 4.232 17.359 0.892 10 15 Good 115 S -61.309 -46.167 7.928 5.877 18.463 0.889 10 15 Good 116 L -65.923 -41.173 9.526 10.264 17.462 0.859 10 15 Good 117 A -67.747 -28.415 5.723 14.329 17.166 0.827 10 15 Good 118 E -94.587 -19.036 11.197 15.220 21.342 0.804 10 15 Good 119 H -121.322 130.669 29.190 15.865 35.417 0.800 10 15 Good 120 R -76.158 139.604 16.469 8.721 35.919 0.811 10 15 Warn 121 T -112.345 150.021 22.313 33.011 72.310 0.831 10 13 Good 122 P -53.737 -33.283 5.638 9.027 49.177 0.860 10 13 Good 123 D -65.077 -37.601 4.925 10.995 38.154 0.890 10 13 Good 124 V -67.263 -46.228 8.201 5.052 16.185 0.904 10 15 Good 125 L -61.598 -43.797 3.885 6.979 14.169 0.902 10 15 Good 126 K -63.264 -41.038 5.253 6.396 14.695 0.898 10 15 Good 127 K -66.206 -42.350 2.414 4.498 15.288 0.898 10 15 Good 128 C -59.544 -45.569 4.612 5.298 16.147 0.905 10 15 Good 129 Q -63.543 -38.005 5.248 4.235 13.777 0.903 10 15 Good 130 Q -64.029 -43.994 5.027 4.918 13.794 0.899 10 15 Good 131 A -63.583 -39.173 3.160 7.510 14.168 0.894 10 15 Good 132 E -63.940 -43.420 6.650 5.207 14.477 0.900 10 15 Good 133 K -63.857 -41.807 5.756 5.028 14.208 0.902 10 15 Good 134 I -64.098 -42.617 3.792 5.167 15.248 0.901 10 15 Good 135 L -61.360 -40.692 5.948 11.161 15.389 0.881 10 15 Good 136 K -67.398 -33.088 7.303 9.936 16.264 0.829 10 15 Good 137 E -91.340 -14.986 20.757 31.683 19.236 0.763 10 15 Good 138 Q -98.425 111.529 41.262 33.981 36.271 0.711 10 15 Warn 139 E 9999.000 9999.000 0.000 0.000 0.000 0.000 0 10 None
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