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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610168 |
2ndp   |
26068 | cing | 1-original | 1 | unknown | unknown |
REMARK TALOS+ Protein Backbone Torsion Angle Prediction Table REMARK Prediction Summary for Chemical Shift Input MGal.tab 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 3.80F1 Rev 2012.080.14.41 TALOS_INFO DATA FIRST_RESID 1 DATA SEQUENCE GAMAKIKSLSAAEYLKEMADETNIKVQDIRLVVTSLQKVLAKELATTGEVRLFDI DATA SEQUENCE GKFKLVTTKPRTGINPKTKQKIQIPAGKKIKLTVSKILTDAVDSHK 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 3 M 9999.000 9999.000 0.000 0.000 0.000 0.000 0 5 None 4 A -85.773 145.474 78.522 35.946 57.439 0.766 10 9 Warn 5 K -105.848 140.381 56.980 36.767 31.111 0.818 10 13 Warn 6 I -112.256 129.266 18.720 13.859 34.511 0.833 10 13 Good 7 K -109.251 137.778 29.050 14.125 30.370 0.834 10 13 Good 8 S -109.094 136.061 27.266 25.927 27.333 0.813 10 13 Good 9 L -85.104 126.141 12.209 11.851 24.677 0.802 10 15 Good 10 S -86.802 149.310 22.112 33.746 27.918 0.816 10 16 Good 11 A -59.449 -33.704 7.156 16.319 29.499 0.839 10 16 Good 12 A -62.114 -43.173 6.693 2.521 15.285 0.866 10 16 Good 13 E -65.753 -38.683 3.840 6.926 16.081 0.865 10 16 Good 14 Y -65.339 -41.482 5.928 9.347 17.668 0.865 10 17 Good 15 L -68.694 -34.445 11.097 13.127 14.301 0.865 10 17 Good 16 K -62.429 -40.348 3.563 4.097 9.477 0.872 10 18 Good 17 E -65.322 -41.505 7.675 7.646 11.978 0.882 10 18 Good 18 M -66.499 -36.695 5.125 5.350 15.789 0.882 10 18 Good 19 A -66.360 -40.297 6.421 4.642 16.338 0.873 10 18 Good 20 D -64.492 -39.225 6.737 9.525 13.065 0.858 10 18 Good 21 E -74.364 -34.741 10.426 19.186 16.501 0.843 10 18 Good 22 T -98.516 -7.739 12.325 12.481 24.279 0.837 10 18 Good 23 N 77.320 19.865 22.062 16.581 32.414 0.836 10 18 Good 24 I -93.108 128.205 77.020 39.836 28.976 0.844 10 18 Warn 25 K -82.980 145.740 30.765 27.087 21.557 0.855 10 17 Good 26 V -58.135 -37.837 5.521 10.546 21.183 0.873 10 16 Good 27 Q -61.689 -40.334 3.661 4.521 14.641 0.885 10 16 Good 28 D -66.165 -39.592 3.552 5.432 14.116 0.892 10 16 Good 29 I -61.372 -46.385 4.857 5.622 14.046 0.896 10 16 Good 30 R -60.027 -42.415 3.135 4.088 11.682 0.897 10 16 Good 31 L -64.100 -40.554 6.528 8.697 11.458 0.901 10 17 Good 32 V -63.312 -46.080 4.673 5.156 10.447 0.906 10 18 Good 33 V -62.416 -38.374 3.510 4.861 14.294 0.906 10 17 Good 34 T -65.706 -39.241 9.209 6.347 14.362 0.899 10 17 Good 35 S -63.809 -42.371 4.374 4.256 12.383 0.883 10 16 Good 36 L -64.525 -40.065 5.600 8.893 9.823 0.881 10 17 Good 37 Q -64.399 -39.050 5.802 5.417 11.588 0.877 10 17 Good 38 K -66.307 -40.179 5.825 5.745 18.478 0.879 10 17 Good 39 V -63.472 -39.973 3.596 6.594 19.516 0.873 10 16 Good 40 L -65.095 -39.747 4.867 8.034 20.336 0.883 10 16 Good 41 A -64.538 -38.053 7.050 13.281 19.100 0.893 10 17 Good 42 K -66.272 -39.861 6.179 5.022 20.589 0.906 10 18 Good 43 E -65.490 -39.742 6.040 5.546 15.406 0.899 10 18 Good 44 L -69.330 -29.347 7.543 12.454 12.335 0.875 10 18 Good 45 A -71.711 -23.883 12.096 10.810 15.986 0.835 10 18 Good 46 T -107.733 5.465 14.145 20.457 16.838 0.808 10 18 Good 47 T -82.668 -22.290 32.514 22.920 28.436 0.821 7 17 Warn 48 G -161.975 164.914 39.036 14.093 32.846 0.858 5 17 Warn 49 E -135.612 158.840 23.449 14.227 31.364 0.902 10 17 Good 50 V -121.783 121.762 13.190 5.023 34.087 0.917 10 18 Good 51 R -101.244 118.779 12.684 13.691 38.113 0.920 10 18 Good 52 L -114.921 124.122 18.517 25.981 36.836 0.911 10 18 Good 53 F -82.454 138.266 29.165 15.345 48.421 0.880 10 18 Good 54 D -95.380 174.796 69.286 44.000 43.188 0.860 10 18 Warn 55 I -79.643 124.773 15.917 13.146 33.456 0.862 10 17 Good 56 G -127.721 144.461 42.807 35.427 31.423 0.890 10 17 Warn 57 K -120.733 129.217 13.758 15.681 29.791 0.911 10 17 Good 58 F -114.287 132.830 8.609 10.588 19.750 0.918 10 18 Good 59 K -126.455 135.323 11.099 17.001 15.958 0.918 10 18 Good 60 L -106.657 122.261 16.132 10.494 16.341 0.908 10 18 Good 61 V -118.554 132.179 11.205 10.062 24.507 0.898 10 17 Good 62 T -104.255 124.365 20.064 15.657 36.184 0.867 10 15 Good 63 T -123.906 143.760 20.445 15.493 54.313 0.818 10 13 Good 64 K -112.645 124.260 31.436 32.231 88.128 0.743 10 9 Good 65 P -71.225 155.876 11.365 13.264 72.100 0.751 10 9 Warn 66 R -107.856 120.410 28.134 13.999 79.267 0.794 10 9 Good 67 T -111.988 130.761 10.452 12.966 48.686 0.886 10 12 Good 68 G -127.866 151.142 21.787 20.000 40.774 0.890 10 12 Good 69 I -120.356 137.527 20.193 9.597 46.115 0.852 10 11 Good 70 N -101.523 120.001 13.555 18.086 108.306 0.828 10 7 Good 71 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 3 None 72 K 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 73 T 9999.000 9999.000 0.000 0.000 0.000 0.000 0 1 None 74 K 9999.000 9999.000 0.000 0.000 0.000 0.000 0 5 None 75 Q -119.270 142.581 102.549 44.893 63.264 0.829 10 9 Warn 76 K -115.016 148.782 59.449 33.511 31.957 0.865 10 13 Warn 77 I -129.962 143.949 9.992 16.295 34.146 0.874 10 13 Good 78 Q -134.547 157.135 42.348 23.660 39.953 0.868 10 12 Warn 79 I -112.387 108.758 32.571 41.381 85.657 0.849 10 8 Warn 80 P -69.344 148.288 5.965 8.875 77.062 0.822 10 10 Good 81 A -102.227 128.003 16.193 18.596 48.343 0.828 8 11 Warn 82 G -147.588 161.665 62.674 22.588 28.662 0.853 10 14 Warn 83 K -121.678 142.829 15.771 8.377 31.359 0.890 10 14 Good 84 K -120.932 133.342 22.815 17.341 24.494 0.901 10 16 Good 85 I -109.936 123.878 10.586 7.932 19.434 0.900 10 18 Good 86 K -103.313 128.088 14.370 11.522 17.529 0.897 10 18 Good 87 L -114.831 124.893 18.018 6.995 22.325 0.899 10 18 Good 88 T -94.047 129.604 14.680 25.524 37.416 0.904 10 16 Good 89 V -128.609 163.207 18.562 8.503 52.359 0.908 10 13 Good 90 S -99.366 141.696 14.080 33.196 89.653 0.898 10 8 Good 91 K -56.260 -43.409 5.572 11.120 67.427 0.879 10 10 Good 92 I -65.329 -31.706 9.212 13.119 41.974 0.872 10 12 Good 93 L -68.904 -38.439 6.716 4.950 16.814 0.876 10 17 Good 94 T -62.968 -41.005 3.380 5.900 16.717 0.891 10 17 Good 95 D -65.176 -39.785 7.090 6.599 10.161 0.887 10 18 Good 96 A -70.179 -35.215 6.483 5.462 9.070 0.879 10 18 Good 97 V -65.481 -38.712 8.996 9.919 10.933 0.857 10 18 Good 98 D -68.122 -22.273 7.286 17.139 16.748 0.845 10 17 Good 99 S -97.367 1.940 6.604 15.372 21.480 0.819 10 17 Good 100 H -90.916 117.599 36.869 31.122 29.590 0.789 10 16 Warn 101 K 9999.000 9999.000 0.000 0.000 0.000 0.000 0 11 None
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