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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574976 |
2mh2   |
19613 | cing | 1-original | 1 | unknown | dihedral angle |
REMARK TALOS+ Protein Backbone Torsion Angle Prediction Table REMARK Prediction Summary for Chemical Shift Input test2.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 RAEAAA GAPGIILRYL QEQNRPYSAQ DVFGNLQKEH GLGKAAVVKA LDQL DATA SEQUENCE AQEGKI KEKTYGKQKI YFADQNQFDT VSDA 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 5 R 9999.000 9999.000 0.000 0.000 0.000 0.000 0 10 None 6 A -67.421 -36.204 6.501 9.293 38.098 0.537 10 16 Dyn 7 E -63.877 -39.186 9.675 8.175 18.835 0.561 10 18 Dyn 8 A -61.453 -40.324 7.848 7.432 12.443 0.545 10 18 Dyn 9 A -64.406 -34.923 8.177 13.493 14.574 0.565 10 18 Dyn 10 A -68.670 -34.059 9.326 11.320 23.877 0.614 10 17 Good 11 G -80.731 -14.553 21.873 25.841 47.545 0.747 10 16 Good 12 A -52.258 -49.637 6.912 5.505 73.876 0.867 10 13 Good 13 P -56.876 -33.507 4.335 12.099 52.535 0.896 10 13 Good 14 G -68.540 -37.521 6.827 6.305 44.280 0.904 10 14 Good 15 I -66.106 -44.673 3.741 3.268 16.794 0.908 10 17 Good 16 I -64.428 -43.426 4.277 4.817 10.328 0.910 10 18 Good 17 L -60.477 -45.652 6.425 4.475 9.766 0.904 10 18 Good 18 R -59.721 -41.179 6.181 4.980 7.628 0.901 10 18 Good 19 Y -66.305 -42.563 5.023 3.515 8.590 0.898 10 18 Good 20 L -60.735 -39.316 6.030 7.197 6.879 0.902 10 18 Good 21 Q -66.870 -40.828 4.967 3.040 7.938 0.893 10 18 Good 22 E -71.693 -38.617 9.813 6.917 8.050 0.882 10 18 Good 23 Q -90.418 -11.522 12.848 15.119 20.701 0.864 10 18 Good 24 N 61.918 42.681 8.422 9.681 51.946 0.864 10 17 Good 25 R -107.302 144.986 19.457 13.139 79.520 0.867 10 14 Good 26 P -68.456 151.501 4.659 8.767 64.888 0.873 10 14 Good 27 Y -113.018 153.366 18.730 10.508 48.895 0.874 10 15 Good 28 S -80.942 165.296 14.558 10.018 24.239 0.881 10 18 Good 29 A -58.949 -39.961 3.997 6.023 12.819 0.892 10 18 Good 30 Q -67.792 -36.095 6.160 4.040 6.867 0.902 10 18 Good 31 D -64.656 -39.627 4.927 8.346 6.607 0.909 10 18 Good 32 V -63.464 -44.652 5.851 6.470 8.028 0.910 10 18 Good 33 F -62.424 -36.293 4.764 14.586 17.271 0.895 10 17 Good 34 G -66.066 -35.721 6.906 10.942 28.817 0.860 10 17 Good 35 N -69.774 -30.690 11.864 14.400 19.304 0.840 10 17 Good 36 L -83.301 -19.709 21.842 24.276 13.239 0.841 10 18 Good 37 Q -59.010 -44.021 8.981 9.334 13.285 0.868 10 18 Good 38 K -63.849 -35.895 5.655 10.423 9.000 0.880 10 18 Good 39 E -81.245 -37.331 7.275 10.000 12.980 0.867 10 18 Good 40 H -95.795 -17.047 13.646 14.423 20.660 0.831 10 17 Good 41 G 70.104 16.544 10.321 11.733 26.846 0.767 7 17 Warn 42 L -94.438 -0.450 11.604 18.630 27.317 0.771 8 16 Warn 43 G -112.732 102.524 30.975 31.801 29.853 0.804 10 17 Good 44 K -55.682 -45.331 4.040 7.038 28.468 0.889 10 17 Good 45 A -60.539 -42.905 4.427 5.216 8.721 0.909 10 18 Good 46 A -64.150 -42.276 4.142 5.670 5.937 0.916 10 18 Good 47 V -66.146 -42.189 3.458 5.390 6.426 0.916 10 18 Good 48 V -60.723 -42.483 8.000 10.749 8.875 0.917 10 18 Good 49 K -59.046 -41.910 4.062 5.100 7.180 0.910 10 18 Good 50 A -68.677 -40.238 7.741 5.550 7.850 0.905 10 18 Good 51 L -63.086 -43.839 4.254 4.436 7.628 0.904 10 18 Good 52 D -66.534 -37.112 6.139 5.294 7.495 0.908 10 18 Good 53 Q -65.059 -42.885 4.934 6.020 7.168 0.904 10 18 Good 54 L -62.543 -42.023 3.764 4.045 9.175 0.899 10 18 Good 55 A -67.380 -34.224 6.092 9.009 11.333 0.885 10 18 Good 56 Q -64.019 -25.614 3.489 9.874 10.954 0.849 10 18 Good 57 E -90.712 1.837 5.607 6.271 19.555 0.771 10 17 Good 58 G 75.549 22.865 14.889 12.566 47.365 0.766 10 17 Warn 59 K -82.234 -22.504 19.322 15.360 47.694 0.796 10 17 Good 60 I -128.291 160.602 24.265 19.768 30.761 0.887 10 18 Good 61 K -132.524 148.397 23.825 14.321 30.045 0.901 10 18 Good 62 E -131.775 151.256 15.367 8.039 18.362 0.889 10 18 Good 63 K -133.346 136.344 14.508 10.928 15.634 0.853 10 18 Good 64 T -101.088 124.538 10.905 8.952 12.494 0.825 10 18 Good 65 Y -103.951 120.867 28.469 22.632 63.890 0.808 10 12 Good 66 G 67.155 -128.713 48.922 33.696 92.695 0.792 10 10 Warn 67 K -89.787 2.820 13.477 24.291 62.433 0.774 8 10 Warn 68 Q -127.944 143.343 30.084 16.361 29.282 0.798 10 16 Good 69 K -109.298 135.548 17.895 17.503 15.911 0.828 10 18 Good 70 I -124.534 158.084 21.330 10.568 16.424 0.880 10 18 Good 71 Y -120.457 155.290 26.769 12.013 26.018 0.899 10 18 Good 72 F -145.822 149.638 18.860 16.770 23.750 0.895 10 18 Good 73 A -96.149 137.456 21.029 22.324 26.745 0.828 10 18 Good 74 D -98.594 127.995 23.559 26.645 32.724 0.699 10 18 Good 75 Q -81.214 -27.937 23.542 25.003 28.949 0.580 10 18 Dyn 76 N -79.917 -25.577 18.619 14.658 14.394 0.564 10 18 Dyn 77 Q -93.030 -9.792 15.621 15.115 16.941 0.618 5 18 Warn 78 F -96.055 129.702 63.371 26.838 29.154 0.706 10 18 Warn 79 D -74.560 -27.139 9.882 12.185 16.736 0.660 6 18 Warn 80 T -86.223 138.423 60.486 21.224 12.652 0.498 10 18 Dyn 81 V -94.256 130.398 66.672 19.770 20.499 0.335 10 18 Dyn 82 S -86.582 135.707 77.451 40.086 28.971 0.210 10 18 Dyn 83 D -89.519 126.035 26.156 21.260 27.074 0.145 10 18 Dyn 84 A 9999.000 9999.000 0.000 0.000 0.000 0.000 0 12 None
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