NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620023 | 5ogu | 34163 | cing | 1-original | 1 | unknown | unknown |
# Restraints file 1: Spm.tab REMARK TALOS+ Protein Backbone Torsion Angle Prediction Table REMARK Prediction Summary for Chemical Shift Input Spm2.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 GHMSKKELAAQIAEKFTDVLSKTHAEEITNFVFDHIKKALVAGKEVSIAGFGKFA DATA SEQUENCE VTERAARDGRNPSTGETIKIPASKSAKFKAGKQLKTDLNNN 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 6 K 9999.000 9999.000 0.000 0.000 0.000 0.000 0 10 None 7 E -64.348 -44.465 2.887 6.075 25.678 0.885 10 15 Good 8 L -69.784 -37.417 15.264 17.240 26.003 0.887 10 14 Good 9 A -59.741 -40.710 3.317 10.627 26.431 0.891 10 14 Good 10 A -67.297 -38.154 12.391 9.034 25.481 0.894 10 14 Good 11 Q -63.381 -43.035 8.058 9.186 24.805 0.900 10 15 Good 12 I -63.984 -43.585 4.687 6.774 24.690 0.908 10 15 Good 13 A -61.443 -39.098 6.451 7.331 26.385 0.906 10 15 Good 14 E -65.648 -36.230 5.974 15.441 28.578 0.883 10 15 Good 15 K -74.448 -27.688 10.917 7.841 33.599 0.842 10 15 Good 16 F -91.328 -5.928 17.142 21.254 39.761 0.826 10 14 Good 17 T -63.987 -33.215 7.409 10.358 51.417 0.817 10 14 Good 18 D 57.215 34.359 2.378 7.565 95.980 0.842 6 14 Warn 19 V -98.903 -9.795 11.755 19.141 52.589 0.843 10 15 Good 20 L -121.900 140.225 22.687 19.549 39.857 0.872 10 15 Good 21 S -84.726 164.474 13.945 12.359 40.580 0.881 10 14 Good 22 K -59.972 -40.288 3.364 4.726 40.131 0.909 10 13 Good 23 T -61.872 -43.205 4.592 3.749 34.388 0.915 10 13 Good 24 H -65.593 -42.859 4.300 4.550 27.662 0.924 10 14 Good 25 A -64.616 -38.954 7.054 6.399 26.271 0.924 10 15 Good 26 E -68.213 -36.091 6.093 4.043 24.220 0.920 10 15 Good 27 E -67.425 -39.856 7.105 8.123 26.275 0.917 10 15 Good 28 I -69.495 -36.224 15.025 18.303 27.275 0.916 10 15 Good 29 T -63.865 -42.804 4.905 9.595 27.521 0.917 10 15 Good 30 N -59.935 -43.743 9.011 7.115 25.119 0.913 10 15 Good 31 F -70.950 -39.756 17.171 12.424 24.245 0.912 10 15 Good 32 V -63.403 -40.495 4.925 2.696 26.411 0.917 10 14 Good 33 F -62.981 -37.259 8.908 7.129 26.619 0.927 10 14 Good 34 D -65.404 -43.061 4.293 4.835 26.114 0.928 10 14 Good 35 H -60.225 -42.404 4.952 6.489 33.881 0.924 10 14 Good 36 I -65.897 -39.720 8.533 8.261 45.928 0.909 10 13 Good 37 K -62.010 -35.413 7.420 11.464 52.978 0.900 10 12 Good 38 K -65.911 -36.762 7.317 8.649 33.839 0.884 10 13 Good 39 A -61.389 -41.743 6.295 5.050 27.343 0.866 10 14 Good 40 L -65.949 -38.131 6.688 12.970 32.313 0.831 10 13 Good 41 V -65.685 -35.741 6.683 10.828 41.645 0.773 10 11 Good 42 A -89.768 -13.976 22.584 17.888 49.878 0.703 10 9 Good 43 G -77.775 144.282 69.555 40.415 48.721 0.614 6 10 Warn 44 K -92.581 -7.066 35.082 35.017 93.866 0.577 5 7 Dyn 45 E 9999.000 9999.000 0.000 0.000 0.000 0.000 0 4 None 46 V 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 47 S 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 48 I 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 49 A 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 50 G 9999.000 9999.000 0.000 0.000 0.000 0.000 0 4 None 51 F -62.608 -31.057 8.615 34.163 80.355 0.717 9 7 Warn 52 G -84.500 -17.118 16.934 27.877 64.518 0.759 10 10 Good 53 K -135.625 152.048 20.423 14.389 54.608 0.844 10 9 Good 54 F -127.516 145.056 20.538 11.429 43.629 0.884 10 11 Good 55 A -133.228 142.756 18.494 9.225 39.741 0.902 10 12 Good 56 V -106.619 127.543 26.914 10.037 42.530 0.906 10 12 Good 57 T -132.629 147.546 13.524 11.569 49.158 0.909 10 10 Good 58 E -135.464 152.967 22.251 11.932 51.270 0.883 10 9 Good 59 R -126.482 142.559 23.210 9.245 48.311 0.818 10 9 Good 60 A -92.584 138.975 52.884 39.677 51.880 0.764 10 9 Warn 61 A -101.771 133.599 28.036 16.834 56.227 0.735 10 9 Good 62 R -128.114 150.680 22.234 28.698 50.445 0.748 10 9 Good 63 D -92.039 151.928 57.552 43.184 50.597 0.694 10 9 Warn 64 G -97.070 148.303 31.894 32.652 110.921 0.673 10 6 Good 65 R 9999.000 9999.000 0.000 0.000 0.000 0.000 0 3 None 66 N 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 67 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 3 None 68 S -70.193 -30.572 13.317 18.725 98.407 0.714 10 6 Good 69 T -99.724 2.824 11.715 17.332 58.383 0.658 10 9 Good 70 G 95.439 -3.933 16.163 12.859 45.960 0.599 10 10 Dyn 71 E -83.510 141.887 16.401 15.419 38.984 0.599 10 11 Dyn 72 T -87.937 129.955 58.468 19.621 42.475 0.667 10 13 Warn 73 I -128.623 149.717 14.660 6.353 37.993 0.762 10 13 Good 74 K -99.522 123.298 23.120 11.258 45.538 0.794 10 13 Good 75 I -99.350 126.569 21.933 11.928 90.944 0.796 10 8 Good 76 P -67.858 151.265 12.797 10.986 91.218 0.700 10 8 Good 77 A -107.672 125.262 21.415 12.615 62.440 0.675 6 8 Warn 78 S -127.631 155.868 25.058 10.395 39.147 0.709 10 11 Good 79 K -117.718 144.723 23.565 19.626 56.359 0.782 10 11 Good 80 S -138.086 161.874 14.985 5.383 49.578 0.835 10 10 Good 81 A -124.860 138.841 17.951 18.425 47.545 0.864 10 11 Good 82 K -121.568 150.594 16.228 17.954 49.772 0.861 10 10 Good 83 F -86.667 135.976 24.677 51.996 50.923 0.842 10 11 Warn 84 K -71.399 -21.023 26.382 20.698 54.312 0.820 6 11 Warn 85 A -64.956 -34.807 14.882 17.610 107.959 0.811 10 8 Good 86 G 9999.000 9999.000 0.000 0.000 0.000 0.000 0 4 None 87 K 9999.000 9999.000 0.000 0.000 0.000 0.000 0 3 None 88 Q -60.937 -41.482 4.820 8.622 79.369 0.866 10 6 Good 89 L -63.608 -43.913 3.611 4.305 47.459 0.881 10 9 Good 90 K -61.020 -38.338 2.643 8.892 45.294 0.916 10 10 Good 91 T -67.022 -41.138 9.178 6.483 42.876 0.914 10 11 Good 92 D -62.298 -34.520 6.616 8.758 42.231 0.890 10 12 Good 93 L -72.828 -32.282 12.102 8.736 43.164 0.776 10 12 Good 94 N -92.057 -22.214 15.870 19.293 52.536 0.669 10 11 Good 95 N -101.992 0.863 20.397 26.750 51.581 0.585 8 10 Dyn 96 N 9999.000 9999.000 0.000 0.000 0.000 0.000 0 6 None
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