User input for job 696017

Modeling method CM only

• Superimpose partial threads before hybrid sampling.
• Sample 1 model.

Partial threads

wt: 1 >query KALGISYGRKKRRQRRRAHQNSQTHQASLSKQPTSQSRGDPTGPKE >1JFW 41-86 KALGISYGRKKRRQRRRPPQGSQTHQVSLSKQPTSQPRGDPTGPKE ATOM 620 N LYS A 1 -5.744 -2.082 -4.766 1.00 0.00 N ATOM 621 CA LYS A 1 -5.736 -3.474 -5.303 1.00 0.00 C ATOM 622 C LYS A 1 -4.577 -3.781 -6.322 1.00 0.00 C ATOM 623 O LYS A 1 -3.910 -4.809 -6.183 1.00 0.00 O ATOM 624 CB LYS A 1 -7.162 -3.726 -5.872 1.00 0.00 C ATOM 641 N ALA A 2 -4.377 -2.955 -7.368 1.00 0.00 N ATOM 642 CA ALA A 2 -3.471 -3.280 -8.500 1.00 0.00 C ATOM 643 C ALA A 2 -1.984 -2.806 -8.359 1.00 0.00 C ATOM 644 O ALA A 2 -1.078 -3.644 -8.398 1.00 0.00 O ATOM 645 CB ALA A 2 -4.179 -2.747 -9.765 1.00 0.00 C ATOM 651 N LEU A 3 -1.720 -1.489 -8.282 1.00 0.00 N ATOM 652 CA LEU A 3 -0.345 -0.919 -8.388 1.00 0.00 C ATOM 653 C LEU A 3 -0.166 0.289 -7.412 1.00 0.00 C ATOM 654 O LEU A 3 -0.779 1.350 -7.583 1.00 0.00 O ATOM 655 CB LEU A 3 -0.069 -0.484 -9.861 1.00 0.00 C ATOM 670 N GLY A 4 0.712 0.145 -6.410 1.00 0.00 N ATOM 671 CA GLY A 4 1.115 1.272 -5.524 1.00 0.00 C ATOM 672 C GLY A 4 1.812 0.864 -4.209 1.00 0.00 C ATOM 673 O GLY A 4 2.280 -0.266 -4.059 1.00 0.00 O ATOM 677 N ILE A 5 1.863 1.830 -3.273 1.00 0.00 N ATOM 678 CA ILE A 5 2.710 1.834 -2.022 1.00 0.00 C ATOM 679 C ILE A 5 3.174 0.441 -1.447 1.00 0.00 C ATOM 680 O ILE A 5 4.353 0.100 -1.553 1.00 0.00 O ATOM 681 CB ILE A 5 2.049 2.816 -0.969 1.00 0.00 C ATOM 696 N SER A 6 2.256 -0.371 -0.900 1.00 0.00 N ATOM 697 CA SER A 6 2.491 -1.836 -0.718 1.00 0.00 C ATOM 698 C SER A 6 1.280 -2.671 -1.265 1.00 0.00 C ATOM 699 O SER A 6 0.592 -3.364 -0.508 1.00 0.00 O ATOM 700 CB SER A 6 2.830 -2.099 0.773 1.00 0.00 C ATOM 707 N TYR A 7 0.984 -2.560 -2.574 1.00 0.00 N ATOM 708 CA TYR A 7 -0.354 -2.928 -3.126 1.00 0.00 C ATOM 709 C TYR A 7 -0.224 -3.759 -4.442 1.00 0.00 C ATOM 710 O TYR A 7 0.362 -3.293 -5.426 1.00 0.00 O ATOM 711 CB TYR A 7 -1.176 -1.635 -3.396 1.00 0.00 C ATOM 728 N GLY A 8 -0.775 -4.988 -4.458 1.00 0.00 N ATOM 729 CA GLY A 8 -0.805 -5.852 -5.677 1.00 0.00 C ATOM 730 C GLY A 8 0.550 -6.459 -6.105 1.00 0.00 C ATOM 731 O GLY A 8 0.918 -7.553 -5.676 1.00 0.00 O ATOM 735 N ARG A 9 1.304 -5.705 -6.910 1.00 0.00 N ATOM 736 CA ARG A 9 2.756 -5.976 -7.156 1.00 0.00 C ATOM 737 C ARG A 9 3.740 -5.633 -5.968 1.00 0.00 C ATOM 738 O ARG A 9 4.865 -6.136 -5.969 1.00 0.00 O ATOM 739 CB ARG A 9 3.189 -5.227 -8.453 1.00 0.00 C ATOM 758 N LYS A 10 3.350 -4.777 -4.999 1.00 0.00 N ATOM 759 CA LYS A 10 4.119 -4.453 -3.755 1.00 0.00 C ATOM 760 C LYS A 10 5.458 -3.647 -3.869 1.00 0.00 C ATOM 761 O LYS A 10 5.582 -2.591 -3.241 1.00 0.00 O ATOM 762 CB LYS A 10 4.088 -5.581 -2.679 1.00 0.00 C ATOM 779 N LYS A 11 6.450 -4.118 -4.639 1.00 0.00 N ATOM 780 CA LYS A 11 7.708 -3.360 -4.903 1.00 0.00 C ATOM 781 C LYS A 11 7.962 -3.162 -6.437 1.00 0.00 C ATOM 782 O LYS A 11 8.863 -3.759 -7.034 1.00 0.00 O ATOM 783 CB LYS A 11 8.901 -3.993 -4.134 1.00 0.00 C ATOM 800 N ARG A 12 7.199 -2.244 -7.054 1.00 0.00 N ATOM 801 CA ARG A 12 7.464 -1.749 -8.435 1.00 0.00 C ATOM 802 C ARG A 12 8.518 -0.582 -8.412 1.00 0.00 C ATOM 803 O ARG A 12 8.347 0.425 -7.717 1.00 0.00 O ATOM 804 CB ARG A 12 6.070 -1.387 -9.022 1.00 0.00 C ATOM 823 N ARG A 13 9.643 -0.744 -9.127 1.00 0.00 N ATOM 824 CA ARG A 13 10.830 0.155 -8.992 1.00 0.00 C ATOM 825 C ARG A 13 10.761 1.434 -9.899 1.00 0.00 C ATOM 826 O ARG A 13 11.451 1.544 -10.918 1.00 0.00 O ATOM 827 CB ARG A 13 12.085 -0.742 -9.220 1.00 0.00 C ATOM 846 N GLN A 14 9.907 2.403 -9.522 1.00 0.00 N ATOM 847 CA GLN A 14 9.637 3.622 -10.338 1.00 0.00 C ATOM 848 C GLN A 14 8.947 4.736 -9.474 1.00 0.00 C ATOM 849 O GLN A 14 7.949 4.489 -8.789 1.00 0.00 O ATOM 850 CB GLN A 14 8.792 3.210 -11.582 1.00 0.00 C ATOM 863 N ARG A 15 9.468 5.974 -9.548 1.00 0.00 N ATOM 864 CA ARG A 15 8.839 7.173 -8.905 1.00 0.00 C ATOM 865 C ARG A 15 8.873 8.413 -9.866 1.00 0.00 C ATOM 866 O ARG A 15 7.821 8.830 -10.348 1.00 0.00 O ATOM 867 CB ARG A 15 9.469 7.444 -7.506 1.00 0.00 C ATOM 886 N ARG A 16 10.058 8.987 -10.177 1.00 0.00 N ATOM 887 CA ARG A 16 10.272 9.896 -11.358 1.00 0.00 C ATOM 888 C ARG A 16 9.495 11.275 -11.422 1.00 0.00 C ATOM 889 O ARG A 16 9.053 11.706 -12.485 1.00 0.00 O ATOM 890 CB ARG A 16 10.205 9.006 -12.642 1.00 0.00 C ATOM 909 N ARG A 17 9.385 12.015 -10.304 1.00 0.00 N ATOM 910 CA ARG A 17 8.802 13.404 -10.255 1.00 0.00 C ATOM 911 C ARG A 17 7.358 13.710 -10.872 1.00 0.00 C ATOM 912 O ARG A 17 7.229 14.679 -11.626 1.00 0.00 O ATOM 913 CB ARG A 17 9.935 14.394 -10.693 1.00 0.00 C ATOM 932 N ALA A 18 6.230 13.014 -10.524 1.00 0.00 N ATOM 933 CA ALA A 18 4.860 13.402 -10.985 1.00 0.00 C ATOM 934 C ALA A 18 4.191 14.730 -10.462 1.00 0.00 C ATOM 935 O ALA A 18 3.610 15.403 -11.320 1.00 0.00 O ATOM 936 CB ALA A 18 4.012 12.141 -10.731 1.00 0.00 C ATOM 946 N HIS A 19 4.176 15.180 -9.165 1.00 0.00 N ATOM 947 CA HIS A 19 3.533 16.475 -8.773 1.00 0.00 C ATOM 948 C HIS A 19 4.394 17.751 -9.081 1.00 0.00 C ATOM 949 O HIS A 19 4.798 18.507 -8.190 1.00 0.00 O ATOM 950 CB HIS A 19 3.254 16.208 -7.277 1.00 0.00 C ATOM 960 N GLN A 20 4.689 17.976 -10.368 1.00 0.00 N ATOM 961 CA GLN A 20 5.690 18.984 -10.815 1.00 0.00 C ATOM 962 C GLN A 20 5.005 20.343 -11.187 1.00 0.00 C ATOM 963 O GLN A 20 4.929 20.740 -12.353 1.00 0.00 O ATOM 964 CB GLN A 20 6.493 18.282 -11.946 1.00 0.00 C ATOM 977 N ASN A 21 4.490 21.042 -10.161 1.00 0.00 N ATOM 978 CA ASN A 21 3.608 22.225 -10.355 1.00 0.00 C ATOM 979 C ASN A 21 2.335 22.237 -9.484 1.00 0.00 C ATOM 980 O ASN A 21 2.200 23.101 -8.618 1.00 0.00 O ATOM 984 N SER A 22 1.375 21.342 -9.767 1.00 0.00 N ATOM 985 CA SER A 22 -0.038 21.511 -9.315 1.00 0.00 C ATOM 986 C SER A 22 -0.727 20.186 -8.830 1.00 0.00 C ATOM 987 O SER A 22 -0.863 19.980 -7.620 1.00 0.00 O ATOM 988 CB SER A 22 -0.753 22.255 -10.474 1.00 0.00 C ATOM 995 N GLN A 23 -1.208 19.311 -9.735 1.00 0.00 N ATOM 996 CA GLN A 23 -2.038 18.120 -9.376 1.00 0.00 C ATOM 997 C GLN A 23 -1.710 16.873 -10.267 1.00 0.00 C ATOM 998 O GLN A 23 -1.439 16.985 -11.468 1.00 0.00 O ATOM 999 CB GLN A 23 -3.554 18.457 -9.478 1.00 0.00 C ATOM 1012 N THR A 24 -1.793 15.672 -9.669 1.00 0.00 N ATOM 1013 CA THR A 24 -1.587 14.371 -10.387 1.00 0.00 C ATOM 1014 C THR A 24 -2.917 13.611 -10.696 1.00 0.00 C ATOM 1015 O THR A 24 -3.129 13.230 -11.845 1.00 0.00 O ATOM 1016 CB THR A 24 -0.571 13.423 -9.664 1.00 0.00 C ATOM 1026 N HIS A 25 -3.758 13.304 -9.682 1.00 0.00 N ATOM 1027 CA HIS A 25 -4.968 12.430 -9.816 1.00 0.00 C ATOM 1028 C HIS A 25 -4.711 11.040 -10.510 1.00 0.00 C ATOM 1029 O HIS A 25 -4.199 10.128 -9.861 1.00 0.00 O ATOM 1030 CB HIS A 25 -6.194 13.252 -10.319 1.00 0.00 C ATOM 1043 N GLN A 26 -5.008 10.893 -11.813 1.00 0.00 N ATOM 1044 CA GLN A 26 -4.532 9.745 -12.635 1.00 0.00 C ATOM 1045 C GLN A 26 -3.973 10.303 -13.989 1.00 0.00 C ATOM 1046 O GLN A 26 -4.687 10.361 -14.993 1.00 0.00 O ATOM 1047 CB GLN A 26 -5.701 8.722 -12.751 1.00 0.00 C ATOM 1060 N ALA A 27 -2.698 10.737 -14.001 1.00 0.00 N ATOM 1061 CA ALA A 27 -2.048 11.344 -15.212 1.00 0.00 C ATOM 1062 C ALA A 27 -0.791 10.526 -15.669 1.00 0.00 C ATOM 1063 O ALA A 27 -0.835 9.930 -16.746 1.00 0.00 O ATOM 1064 CB ALA A 27 -1.826 12.890 -15.011 1.00 0.00 C ATOM 1076 N SER A 28 0.338 10.548 -14.921 1.00 0.00 N ATOM 1077 CA SER A 28 1.695 10.174 -15.442 1.00 0.00 C ATOM 1078 C SER A 28 2.209 11.150 -16.559 1.00 0.00 C ATOM 1079 O SER A 28 1.726 11.105 -17.694 1.00 0.00 O ATOM 1080 CB SER A 28 1.802 8.678 -15.831 1.00 0.00 C ATOM 1087 N LEU A 29 3.158 12.052 -16.240 1.00 0.00 N ATOM 1088 CA LEU A 29 3.452 13.263 -17.070 1.00 0.00 C ATOM 1089 C LEU A 29 3.964 12.959 -18.526 1.00 0.00 C ATOM 1090 O LEU A 29 5.116 12.567 -18.742 1.00 0.00 O ATOM 1091 CB LEU A 29 4.450 14.184 -16.311 1.00 0.00 C ATOM 1106 N SER A 30 3.071 13.080 -19.521 1.00 0.00 N ATOM 1107 CA SER A 30 3.307 12.570 -20.905 1.00 0.00 C ATOM 1108 C SER A 30 2.286 13.222 -21.899 1.00 0.00 C ATOM 1109 O SER A 30 2.534 14.318 -22.409 1.00 0.00 O ATOM 1110 CB SER A 30 3.364 11.009 -20.907 1.00 0.00 C ATOM 1117 N LYS A 31 1.128 12.588 -22.146 1.00 0.00 N ATOM 1118 CA LYS A 31 -0.057 13.246 -22.760 1.00 0.00 C ATOM 1119 C LYS A 31 -1.090 13.535 -21.622 1.00 0.00 C ATOM 1120 O LYS A 31 -1.749 12.614 -21.135 1.00 0.00 O ATOM 1121 CB LYS A 31 -0.580 12.311 -23.884 1.00 0.00 C ATOM 1138 N GLN A 32 -1.192 14.801 -21.178 1.00 0.00 N ATOM 1139 CA GLN A 32 -1.849 15.151 -19.879 1.00 0.00 C ATOM 1140 C GLN A 32 -3.314 14.619 -19.611 1.00 0.00 C ATOM 1141 O GLN A 32 -3.501 14.020 -18.545 1.00 0.00 O ATOM 1142 CB GLN A 32 -1.651 16.674 -19.600 1.00 0.00 C ATOM 1155 N PRO A 33 -4.363 14.723 -20.484 1.00 0.00 N ATOM 1156 CA PRO A 33 -5.620 13.937 -20.326 1.00 0.00 C ATOM 1157 C PRO A 33 -5.450 12.405 -20.644 1.00 0.00 C ATOM 1158 O PRO A 33 -5.691 11.952 -21.769 1.00 0.00 O ATOM 1159 CB PRO A 33 -6.589 14.697 -21.268 1.00 0.00 C ATOM 1169 N THR A 34 -5.023 11.606 -19.649 1.00 0.00 N ATOM 1170 CA THR A 34 -4.567 10.196 -19.887 1.00 0.00 C ATOM 1171 C THR A 34 -5.752 9.166 -20.022 1.00 0.00 C ATOM 1172 O THR A 34 -6.005 8.333 -19.144 1.00 0.00 O ATOM 1173 CB THR A 34 -3.516 9.805 -18.795 1.00 0.00 C ATOM 1183 N SER A 35 -6.454 9.198 -21.171 1.00 0.00 N ATOM 1184 CA SER A 35 -7.643 8.341 -21.476 1.00 0.00 C ATOM 1185 C SER A 35 -8.910 8.586 -20.580 1.00 0.00 C ATOM 1186 O SER A 35 -9.764 9.406 -20.928 1.00 0.00 O ATOM 1187 CB SER A 35 -7.228 6.864 -21.738 1.00 0.00 C ATOM 1194 N GLN A 36 -9.037 7.886 -19.445 1.00 0.00 N ATOM 1195 CA GLN A 36 -10.099 8.124 -18.428 1.00 0.00 C ATOM 1196 C GLN A 36 -9.469 8.104 -16.984 1.00 0.00 C ATOM 1197 O GLN A 36 -8.609 7.250 -16.733 1.00 0.00 O ATOM 1198 CB GLN A 36 -11.208 7.038 -18.538 1.00 0.00 C ATOM 1211 N SER A 37 -9.866 8.953 -15.987 1.00 0.00 N ATOM 1212 CA SER A 37 -9.288 8.885 -14.614 1.00 0.00 C ATOM 1213 C SER A 37 -9.849 7.713 -13.729 1.00 0.00 C ATOM 1214 O SER A 37 -10.852 7.846 -13.018 1.00 0.00 O ATOM 1215 CB SER A 37 -9.573 10.310 -14.103 1.00 0.00 C ATOM 1225 N ARG A 38 -9.187 6.548 -13.793 1.00 0.00 N ATOM 1226 CA ARG A 38 -9.667 5.287 -13.154 1.00 0.00 C ATOM 1227 C ARG A 38 -9.135 5.158 -11.687 1.00 0.00 C ATOM 1228 O ARG A 38 -8.114 4.518 -11.410 1.00 0.00 O ATOM 1229 CB ARG A 38 -9.264 4.086 -14.057 1.00 0.00 C ATOM 1248 N GLY A 39 -9.842 5.809 -10.749 1.00 0.00 N ATOM 1249 CA GLY A 39 -9.284 6.094 -9.398 1.00 0.00 C ATOM 1250 C GLY A 39 -8.711 7.523 -9.318 1.00 0.00 C ATOM 1251 O GLY A 39 -7.839 7.879 -10.108 1.00 0.00 O ATOM 1255 N ASP A 40 -9.232 8.355 -8.405 1.00 0.00 N ATOM 1256 CA ASP A 40 -9.043 9.844 -8.443 1.00 0.00 C ATOM 1257 C ASP A 40 -9.802 10.540 -9.639 1.00 0.00 C ATOM 1258 O ASP A 40 -9.160 10.837 -10.653 1.00 0.00 O ATOM 1259 CB ASP A 40 -7.565 10.303 -8.295 1.00 0.00 C ATOM 1268 N PRO A 41 -11.141 10.823 -9.583 1.00 0.00 N ATOM 1269 CA PRO A 41 -11.921 11.255 -10.781 1.00 0.00 C ATOM 1270 C PRO A 41 -11.836 12.784 -11.109 1.00 0.00 C ATOM 1271 O PRO A 41 -12.764 13.565 -10.873 1.00 0.00 O ATOM 1272 CB PRO A 41 -13.325 10.740 -10.400 1.00 0.00 C ATOM 1282 N THR A 42 -10.693 13.213 -11.656 1.00 0.00 N ATOM 1283 CA THR A 42 -10.466 14.617 -12.121 1.00 0.00 C ATOM 1284 C THR A 42 -9.417 14.588 -13.284 1.00 0.00 C ATOM 1285 O THR A 42 -9.813 14.571 -14.452 1.00 0.00 O ATOM 1286 CB THR A 42 -10.163 15.580 -10.920 1.00 0.00 C ATOM 1296 N GLY A 43 -8.105 14.554 -12.984 1.00 0.00 N ATOM 1297 CA GLY A 43 -7.025 14.600 -14.012 1.00 0.00 C ATOM 1298 C GLY A 43 -5.960 15.712 -13.769 1.00 0.00 C ATOM 1299 O GLY A 43 -5.583 15.910 -12.609 1.00 0.00 O ATOM 1303 N PRO A 44 -5.428 16.450 -14.785 1.00 0.00 N ATOM 1304 CA PRO A 44 -4.430 17.535 -14.547 1.00 0.00 C ATOM 1305 C PRO A 44 -4.945 18.836 -13.845 1.00 0.00 C ATOM 1306 O PRO A 44 -6.116 19.215 -13.933 1.00 0.00 O ATOM 1307 CB PRO A 44 -3.937 17.856 -15.980 1.00 0.00 C ATOM 1317 N LYS A 45 -4.012 19.620 -13.288 1.00 0.00 N ATOM 1318 CA LYS A 45 -4.008 21.094 -13.560 1.00 0.00 C ATOM 1319 C LYS A 45 -2.549 21.619 -13.854 1.00 0.00 C ATOM 1320 O LYS A 45 -2.074 22.588 -13.257 1.00 0.00 O ATOM 1321 CB LYS A 45 -4.812 21.846 -12.453 1.00 0.00 C ATOM 1338 N GLU A 46 -1.861 20.982 -14.815 1.00 0.00 N ATOM 1339 CA GLU A 46 -0.609 21.474 -15.439 1.00 0.00 C ATOM 1340 C GLU A 46 -0.473 20.855 -16.864 1.00 0.00 C ATOM 1341 O GLU A 46 -0.912 19.703 -17.111 1.00 0.00 O ATOM 1342 CB GLU A 46 0.664 21.284 -14.560 1.00 0.00 C TER END

Sequence

KALGISYGRKKRRQRRRAHQNSQTHQASLSKQPTSQSRGDPTGPKE

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