NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
652584 |
6yq5   |
27468 | cing | 1-original | 3 | unknown | unknown |
# Restraints file 5: pred.tab REMARK TALOS-N Protein Backbone Torsion Angle Prediction Table REMARK Prediction Summary for Chemical Shift Input chemicalshifts 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-N 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 Strong/Generous: 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, and A. Bax: REMARK Protein backbone and sidechain torsion angles predicted from REMARK NMR chemical shifts using artificial neural networks REMARK J. Biomol. NMR, 56, 227-241(2013). REMARK REMARK TALOS-N Version 4.21 Rev 2016.343.11.31 TALOSN_INFO DATA FIRST_RESID -1 DATA SEQUENCE MGMPETPIMG QDVKYLFQSI DAATGSAPLF PAYQTDGSVS GERELFDEQT DATA SEQUENCE KNGRILGPGS VADSGEVTYY GKRGDAGQKA IEDAYQNGKQ IKFWRVDTVK DATA SEQUENCE NENDKYDAQF GFAYIESREY SDGVEGAVEI SISLQVIGEL KNGEIDTLPE DATA SEQUENCE EIVNVSKGGY DFQQPGQTTG EAPGTVPAPH HHHHH 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 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 7 None 6 I -71.753 137.941 8.148 7.379 0.689 0.764 25 12 Strong 7 M -84.919 118.742 11.099 24.164 0.516 0.832 25 14 Strong 8 G -57.416 -34.671 5.924 8.845 0.548 0.867 10 14 Generous 9 Q -67.536 -20.628 5.263 6.709 0.275 0.872 25 14 Strong 10 D -90.504 -8.154 8.292 8.500 0.265 0.871 25 15 Strong 11 V -78.645 133.827 12.334 10.364 0.253 0.858 25 15 Strong 12 K -109.698 134.308 15.230 14.839 0.340 0.861 25 15 Strong 13 Y -97.859 130.695 15.713 15.269 0.580 0.872 25 15 Strong 14 L -116.163 148.769 14.794 13.207 0.503 0.899 25 15 Strong 15 F -131.743 149.236 8.742 9.397 0.542 0.914 25 15 Strong 16 Q -146.470 153.566 13.332 10.515 0.543 0.908 25 15 Strong 17 S -69.177 151.021 9.121 11.285 0.448 0.895 25 14 Strong 18 I -60.850 -26.543 6.799 8.579 0.404 0.858 25 14 Strong 19 D -86.530 -1.358 9.027 9.186 0.333 0.827 25 14 Strong 20 A -64.385 139.604 7.604 10.528 0.395 0.791 8 15 Warn 21 A -70.560 148.529 6.319 8.581 0.499 0.771 25 15 Strong 22 T -65.659 -28.320 8.273 9.836 0.717 0.744 6 14 Warn 23 G 91.788 -2.729 9.186 8.653 0.877 0.700 8 14 Warn 24 S -71.746 149.396 13.954 13.727 0.664 0.705 7 14 Warn 25 A -75.272 139.112 8.483 14.875 0.647 0.747 25 12 Strong 26 P -66.666 147.843 6.672 8.728 0.560 0.837 25 12 Strong 27 L -111.028 138.149 12.551 14.331 0.690 0.872 25 12 Strong 28 F -109.444 123.540 14.210 15.841 1.110 0.845 25 12 Strong 29 P -65.635 142.806 6.770 8.289 1.372 0.837 25 12 Strong 30 A -97.624 135.970 34.696 19.997 2.774 0.843 6 12 Warn 31 Y -117.018 143.504 29.127 20.384 5.441 0.869 1 15 Warn 32 Q -75.641 136.750 9.517 15.137 4.707 0.829 5 14 Warn 33 T -96.808 136.260 29.181 20.677 2.667 0.794 9 11 Warn 34 D -100.648 -7.259 15.761 15.658 1.370 0.784 10 10 Generous 35 G -153.404 161.853 14.693 8.033 0.749 0.825 25 11 Strong 36 S -145.165 154.689 19.366 7.133 0.721 0.864 25 14 Strong 37 V -145.666 151.168 10.828 9.191 0.720 0.883 25 15 Strong 38 S -132.935 144.452 16.301 18.802 0.738 0.872 25 14 Strong 39 G -127.616 163.517 41.123 30.139 0.892 0.830 6 14 Warn 40 E -125.997 156.898 20.302 13.785 0.893 0.808 25 9 Strong 41 R 9999.000 9999.000 0.000 0.000 0.000 0.000 0 5 None 42 E 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 43 L 9999.000 9999.000 0.000 0.000 0.000 0.000 0 2 None 44 F 9999.000 9999.000 0.000 0.000 0.000 0.000 0 7 None 45 D -80.879 113.364 11.719 25.804 0.821 0.788 25 12 Strong 46 E -134.008 155.133 15.676 9.059 1.061 0.825 25 15 Strong 47 Q -76.220 157.650 16.251 23.575 1.105 0.831 8 14 Warn 48 T -70.329 142.828 36.762 14.507 1.745 0.842 6 14 Warn 49 K 68.517 18.034 5.988 13.051 1.041 0.850 25 14 Strong 50 N -93.649 -9.815 14.758 17.200 0.658 0.827 8 14 Warn 51 G -169.459 165.995 40.097 12.629 0.785 0.822 25 14 Warn 52 R -94.653 129.317 16.826 12.646 0.795 0.827 25 14 Strong 53 I -102.964 125.230 11.213 10.145 0.648 0.861 25 15 Strong 54 L -107.339 127.476 14.638 10.889 0.698 0.869 25 10 Strong 55 G 9999.000 9999.000 0.000 0.000 0.000 0.000 0 5 None 56 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 57 G 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 58 S 9999.000 9999.000 0.000 0.000 0.000 0.000 0 2 None 59 V 9999.000 9999.000 0.000 0.000 0.000 0.000 0 6 None 60 A -76.277 140.549 18.082 11.187 0.603 0.756 10 11 Generous 61 D -117.929 143.565 31.967 15.935 0.598 0.848 25 14 Strong 62 S -149.170 160.623 8.865 8.915 0.448 0.888 25 14 Strong 63 G -158.397 165.244 11.389 13.252 0.405 0.907 25 14 Strong 64 E -143.836 151.920 9.521 7.765 0.407 0.914 25 14 Strong 65 V -139.999 140.845 10.944 9.229 0.438 0.913 25 15 Strong 66 T -118.552 131.384 12.817 9.249 0.606 0.913 25 15 Strong 67 Y -112.765 138.723 9.750 12.001 0.783 0.906 25 15 Strong 68 Y -117.217 148.267 19.982 13.016 1.143 0.896 25 14 Strong 69 G 176.141 -169.305 25.619 14.418 1.600 0.877 5 14 Warn 70 K -119.495 138.705 19.118 11.243 1.567 0.854 25 14 Strong 71 R -62.991 -34.771 3.868 6.621 1.243 0.838 10 14 Generous 72 G -66.488 -34.362 6.576 11.766 0.907 0.831 25 14 Strong 73 D -81.139 -24.872 16.522 19.669 0.599 0.840 10 14 Generous 74 A -63.499 -39.976 6.077 4.999 0.353 0.858 25 14 Strong 75 G -64.652 -41.975 4.077 6.633 0.251 0.874 25 14 Strong 76 Q -64.329 -41.534 4.565 3.090 0.186 0.892 25 14 Strong 77 K -64.978 -41.633 4.194 4.323 0.115 0.894 25 15 Strong 78 A -64.123 -38.197 3.320 4.737 0.095 0.903 25 15 Strong 79 I -64.653 -44.037 3.425 3.273 0.098 0.907 25 15 Strong 80 E -63.384 -39.288 4.977 4.807 0.089 0.918 25 15 Strong 81 D -64.262 -42.716 3.378 3.817 0.094 0.925 25 15 Strong 82 A -63.865 -44.081 2.513 5.333 0.098 0.917 25 15 Strong 83 Y -62.747 -40.825 3.793 5.147 0.108 0.897 25 15 Strong 84 Q -65.303 -27.638 3.936 6.530 0.129 0.854 25 15 Strong 85 N -97.120 2.829 8.190 7.294 0.141 0.829 25 14 Strong 86 G 66.239 33.706 6.694 6.186 0.204 0.822 25 14 Strong 87 K -112.669 148.719 10.384 7.798 0.267 0.852 25 14 Strong 88 Q -84.144 147.179 17.800 10.114 0.402 0.873 25 15 Strong 89 I -135.886 147.812 10.951 11.418 0.553 0.897 25 15 Strong 90 K -86.288 138.879 19.129 13.388 0.507 0.907 25 15 Strong 91 F -144.986 159.217 7.853 7.201 0.441 0.921 25 15 Strong 92 W -136.227 148.334 11.035 10.510 0.473 0.920 25 15 Strong 93 R -98.985 129.121 18.780 8.113 0.403 0.900 25 15 Strong 94 V -125.458 135.845 11.605 11.382 0.436 0.873 25 15 Strong 95 D -78.862 126.786 11.794 13.511 0.468 0.823 9 14 Warn 96 T -73.167 -18.589 12.672 11.028 0.809 0.780 6 14 Warn 97 V -86.333 -6.843 8.249 7.092 0.815 0.762 5 14 Warn 98 K -88.584 143.672 24.288 11.038 0.626 0.776 9 15 Warn 99 N -86.616 -173.855 5.109 10.969 0.414 0.806 25 15 Strong 100 E -63.487 -19.052 5.241 9.132 0.300 0.824 25 15 Strong 101 N -92.486 8.511 7.682 8.485 0.255 0.846 25 15 Strong 102 D 58.741 41.463 3.820 7.354 0.328 0.873 25 15 Strong 103 K -130.522 155.813 16.010 11.768 0.473 0.897 25 15 Strong 104 Y -102.046 136.578 24.717 15.146 0.952 0.904 25 15 Strong 105 D -82.469 -36.735 9.585 12.898 0.849 0.900 8 15 Warn 106 A -147.911 153.978 11.868 10.665 0.758 0.902 25 15 Strong 107 Q -115.890 139.647 29.283 11.661 0.735 0.906 25 15 Strong 108 F -131.805 148.630 11.280 9.993 0.729 0.915 25 14 Strong 109 G -170.907 178.541 13.556 12.832 0.564 0.912 25 14 Strong 110 F -124.880 144.471 19.959 10.035 0.669 0.908 25 14 Strong 111 A -143.302 159.273 10.264 8.336 0.793 0.899 25 15 Strong 112 Y -129.661 141.919 18.262 12.972 0.789 0.879 25 14 Strong 113 I -84.768 124.450 12.649 8.944 0.586 0.858 25 14 Strong 114 E -90.859 -26.884 13.451 14.661 0.552 0.838 25 14 Strong 115 S -154.410 165.334 9.903 8.822 0.465 0.848 25 15 Strong 116 R -68.760 128.252 11.952 10.280 0.538 0.857 25 15 Strong 117 E -129.229 152.380 15.908 12.761 0.631 0.875 25 15 Strong 118 Y -100.098 130.168 21.090 14.084 0.844 0.864 25 15 Strong 119 S -91.910 137.363 21.160 19.995 0.808 0.848 25 15 Strong 120 D -89.178 137.796 26.911 20.865 0.766 0.814 7 14 Warn 121 G 80.255 17.267 11.449 14.202 0.742 0.759 7 14 Warn 122 V -69.036 -28.724 8.507 12.841 0.643 0.699 25 14 Strong 123 E -87.251 -19.235 16.291 14.672 0.595 0.651 25 14 Strong 124 G 89.727 10.963 13.328 12.377 0.464 0.663 4 14 Warn 125 A -72.063 141.080 10.892 9.907 0.407 0.719 25 14 Strong 126 V -71.506 134.025 7.983 8.102 0.423 0.811 9 15 Warn 127 E -118.038 130.868 14.168 10.751 0.427 0.871 25 15 Strong 128 I -105.544 128.321 11.029 8.102 0.414 0.903 25 15 Strong 129 S -115.087 138.889 15.979 12.439 0.392 0.910 25 15 Strong 130 I -128.450 151.687 11.073 7.043 0.354 0.911 25 15 Strong 131 S -114.704 135.668 23.238 10.671 0.385 0.895 25 15 Strong 132 L -115.389 135.987 17.808 12.814 0.405 0.859 25 15 Strong 133 Q -104.149 132.249 19.441 14.107 0.457 0.805 25 15 Strong 134 V -68.536 131.243 7.479 7.985 0.468 0.760 25 15 Strong 135 I -82.045 128.970 17.360 10.926 0.637 0.762 25 14 Strong 136 G -176.692 177.533 76.429 30.098 0.916 0.791 7 14 Warn 137 E -133.257 150.367 22.067 10.990 0.745 0.840 25 14 Strong 138 L -82.443 131.936 17.467 6.860 0.940 0.851 25 15 Strong 139 K -126.682 144.579 11.576 8.723 0.742 0.858 25 15 Strong 140 N -78.622 140.868 16.096 9.071 0.597 0.848 10 14 Generous 141 G -145.247 171.360 16.023 11.775 0.757 0.847 25 14 Strong 142 E -121.654 138.740 15.131 10.540 0.679 0.855 25 14 Strong 143 I -93.905 123.447 23.631 12.488 0.642 0.868 25 15 Strong 144 D -75.555 -35.448 15.366 9.756 0.675 0.889 25 15 Strong 145 T -151.297 153.627 14.662 12.990 0.517 0.882 10 15 Generous 146 L -127.528 132.529 13.471 20.162 0.414 0.881 25 12 Strong 147 P -63.383 146.104 6.873 9.206 0.254 0.871 25 12 Strong 148 E -57.696 -36.863 4.643 7.731 0.254 0.881 25 12 Strong 149 E -63.560 -31.236 3.721 6.561 0.314 0.876 25 15 Strong 150 I -74.245 -32.678 14.757 11.588 0.691 0.872 25 15 Strong 151 V -87.710 -13.568 7.553 9.808 0.559 0.866 25 14 Strong 152 N 68.981 32.491 4.880 8.262 0.826 0.875 25 13 Strong 153 V -120.484 150.381 10.351 10.719 0.949 0.866 25 13 Strong 154 S -99.330 148.603 24.317 18.238 1.157 0.864 25 9 Strong 155 K 9999.000 9999.000 0.000 0.000 0.000 0.000 0 5 None 156 G 9999.000 9999.000 0.000 0.000 0.000 0.000 0 2 None 157 G 9999.000 9999.000 0.000 0.000 0.000 0.000 0 7 None 158 Y -143.252 162.413 17.855 5.863 1.309 0.899 25 12 Strong 159 D -127.299 153.325 22.151 9.935 1.302 0.901 25 15 Strong 160 F -65.458 -29.335 12.008 8.813 1.212 0.901 6 13 Warn 161 Q -125.116 153.364 22.788 10.702 1.284 0.876 7 13 Warn 162 Q -79.910 144.751 21.103 14.283 0.893 0.847 25 10 Strong 163 P -55.282 132.613 4.908 7.188 0.657 0.791 25 11 Strong 164 G 88.702 -3.014 7.855 11.524 0.493 0.791 25 11 Strong 165 Q -69.317 148.251 8.506 6.984 0.619 0.818 5 13 Warn 166 T -148.565 161.944 13.330 11.545 0.844 0.874 25 14 Strong 167 T -128.064 144.003 17.393 11.228 1.093 0.862 25 13 Strong 168 G 150.731 -179.318 44.333 14.664 1.329 0.793 6 14 Warn 169 E -95.210 147.974 33.069 12.640 1.109 0.746 4 14 Warn 170 A -72.172 149.664 6.319 8.762 0.684 0.753 25 12 Strong 171 P -55.305 134.187 5.641 5.799 0.499 0.814 25 11 Strong 172 G 92.543 -8.794 5.888 6.477 0.515 0.863 10 11 Generous 173 T -112.737 144.617 16.672 15.139 0.503 0.844 25 14 Strong 174 V -89.659 132.749 13.480 13.499 0.550 0.825 25 10 Strong 175 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 5 None
Contact the webmaster for help, if required. Saturday, May 4, 2024 5:24:06 PM GMT (wattos1)