User input for job 701989

Modeling method CM only

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

Partial threads

wt: 1 >query MGPRPRRPYPCRTAASGTVRSGSLFLVYVFVPVEAVAHRHVAGTSALAAFCGGRRGSSTEIYAQ >model_10-6.pdb MGPRPRRPYPCRTAASGTVRSGSLFLVYVFVPVEAVAHRHVAGTSALAAFCGGRRGSSTEIYAQ ATOM 1 N MET A 1 14.423 4.703 -38.430 ATOM 5 CA MET A 1 13.697 4.136 -37.266 ATOM 7 CB MET A 1 13.505 2.606 -37.467 ATOM 18 C MET A 1 14.445 4.460 -36.006 ATOM 19 O MET A 1 15.603 4.076 -35.838 ATOM 20 N GLY A 2 13.794 5.211 -35.086 ATOM 22 CA GLY A 2 14.404 5.626 -33.843 ATOM 25 C GLY A 2 14.205 4.562 -32.794 ATOM 26 O GLY A 2 13.129 3.963 -32.765 ATOM 27 N PRO A 3 15.154 4.295 -31.891 ATOM 28 CA PRO A 3 14.947 3.365 -30.791 ATOM 30 CB PRO A 3 16.332 3.221 -30.126 ATOM 39 C PRO A 3 13.947 3.899 -29.799 ATOM 40 O PRO A 3 13.856 5.112 -29.615 ATOM 41 N ARG A 4 13.183 2.998 -29.155 ATOM 43 CA ARG A 4 12.159 3.385 -28.219 ATOM 45 CB ARG A 4 11.091 2.285 -28.079 ATOM 63 C ARG A 4 12.833 3.586 -26.881 ATOM 64 O ARG A 4 13.685 2.768 -26.530 ATOM 65 N PRO A 5 12.545 4.632 -26.112 ATOM 66 CA PRO A 5 13.246 4.905 -24.869 ATOM 68 CB PRO A 5 12.785 6.326 -24.489 ATOM 77 C PRO A 5 12.860 3.899 -23.810 ATOM 78 O PRO A 5 11.679 3.580 -23.678 ATOM 79 N ARG A 6 13.852 3.399 -23.043 ATOM 81 CA ARG A 6 13.616 2.535 -21.912 ATOM 83 CB ARG A 6 14.645 1.382 -21.817 ATOM 101 C ARG A 6 13.694 3.397 -20.686 ATOM 102 O ARG A 6 14.738 3.520 -20.045 ATOM 103 N ARG A 7 12.558 4.035 -20.341 ATOM 105 CA ARG A 7 12.460 4.892 -19.187 ATOM 107 CB ARG A 7 11.587 6.140 -19.454 ATOM 125 C ARG A 7 11.826 4.087 -18.081 ATOM 126 O ARG A 7 10.884 3.345 -18.359 ATOM 127 N PRO A 8 12.261 4.181 -16.823 ATOM 128 CA PRO A 8 11.529 3.623 -15.702 ATOM 130 CB PRO A 8 12.434 3.848 -14.474 ATOM 139 C PRO A 8 10.211 4.330 -15.539 ATOM 140 O PRO A 8 10.203 5.547 -15.353 ATOM 141 N TYR A 9 9.093 3.583 -15.620 ATOM 143 CA TYR A 9 7.781 4.176 -15.558 ATOM 145 CB TYR A 9 6.692 3.343 -16.284 ATOM 160 C TYR A 9 7.406 4.221 -14.096 ATOM 161 O TYR A 9 7.490 3.179 -13.443 ATOM 162 N PRO A 10 7.024 5.351 -13.501 ATOM 163 CA PRO A 10 6.809 5.417 -12.068 ATOM 165 CB PRO A 10 6.764 6.922 -11.740 ATOM 174 C PRO A 10 5.528 4.738 -11.653 ATOM 175 O PRO A 10 5.481 4.213 -10.544 ATOM 176 N CYS A 11 4.488 4.735 -12.516 ATOM 178 CA CYS A 11 3.148 4.311 -12.170 ATOM 180 CB CYS A 11 2.147 4.668 -13.297 ATOM 185 C CYS A 11 3.088 2.820 -11.942 ATOM 186 O CYS A 11 2.415 2.350 -11.028 ATOM 187 N ARG A 12 3.832 2.044 -12.762 ATOM 189 CA ARG A 12 3.860 0.598 -12.745 ATOM 191 CB ARG A 12 4.701 0.035 -13.918 ATOM 209 C ARG A 12 4.509 0.099 -11.471 ATOM 210 O ARG A 12 4.078 -0.889 -10.881 ATOM 211 N THR A 13 5.556 0.820 -11.003 ATOM 213 CA THR A 13 6.293 0.529 -9.786 ATOM 215 CB THR A 13 7.514 1.429 -9.679 ATOM 223 C THR A 13 5.392 0.701 -8.576 ATOM 224 O THR A 13 5.432 -0.091 -7.631 ATOM 225 N ALA A 14 4.500 1.720 -8.624 ATOM 227 CA ALA A 14 3.525 2.003 -7.598 ATOM 229 CB ALA A 14 2.722 3.285 -7.902 ATOM 233 C ALA A 14 2.535 0.880 -7.410 ATOM 234 O ALA A 14 2.106 0.636 -6.290 ATOM 235 N ALA A 15 2.176 0.129 -8.483 ATOM 237 CA ALA A 15 1.246 -0.981 -8.407 ATOM 239 CB ALA A 15 0.938 -1.583 -9.797 ATOM 243 C ALA A 15 1.747 -2.072 -7.492 ATOM 244 O ALA A 15 1.002 -2.559 -6.649 ATOM 245 N SER A 16 3.050 -2.426 -7.579 ATOM 247 CA SER A 16 3.673 -3.398 -6.702 ATOM 249 CB SER A 16 5.081 -3.802 -7.200 ATOM 254 C SER A 16 3.793 -2.867 -5.288 ATOM 255 O SER A 16 3.557 -3.601 -4.329 ATOM 256 N GLY A 17 4.115 -1.558 -5.127 ATOM 258 CA GLY A 17 4.250 -0.912 -3.830 ATOM 261 C GLY A 17 2.955 -0.727 -3.072 ATOM 262 O GLY A 17 2.964 -0.554 -1.855 ATOM 263 N THR A 18 1.805 -0.742 -3.778 ATOM 265 CA THR A 18 0.476 -0.656 -3.206 ATOM 267 CB THR A 18 -0.447 0.208 -4.034 ATOM 275 C THR A 18 -0.131 -2.011 -2.929 ATOM 276 O THR A 18 -1.164 -2.088 -2.268 ATOM 277 N VAL A 19 0.506 -3.111 -3.397 ATOM 279 CA VAL A 19 0.160 -4.455 -2.975 ATOM 281 CB VAL A 19 0.417 -5.505 -4.049 ATOM 291 C VAL A 19 0.930 -4.761 -1.713 ATOM 292 O VAL A 19 0.353 -5.221 -0.729 ATOM 293 N ARG A 20 2.259 -4.483 -1.694 ATOM 295 CA ARG A 20 3.101 -4.788 -0.555 ATOM 297 CB ARG A 20 4.553 -5.176 -0.938 ATOM 315 C ARG A 20 3.098 -3.645 0.430 ATOM 316 O ARG A 20 4.116 -3.009 0.691 ATOM 317 N SER A 21 1.909 -3.391 1.012 ATOM 319 CA SER A 21 1.702 -2.538 2.155 ATOM 321 CB SER A 21 1.093 -1.154 1.805 ATOM 326 C SER A 21 0.778 -3.239 3.120 ATOM 327 O SER A 21 0.333 -2.640 4.097 ATOM 328 N GLY A 22 0.459 -4.535 2.878 ATOM 330 CA GLY A 22 -0.388 -5.334 3.741 ATOM 333 C GLY A 22 -1.810 -5.393 3.251 ATOM 334 O GLY A 22 -2.584 -6.241 3.695 ATOM 335 N SER A 23 -2.191 -4.498 2.311 ATOM 337 CA SER A 23 -3.505 -4.465 1.706 ATOM 339 CB SER A 23 -3.885 -3.054 1.176 ATOM 344 C SER A 23 -3.616 -5.509 0.619 ATOM 345 O SER A 23 -2.680 -5.743 -0.142 ATOM 346 N LEU A 24 -4.776 -6.197 0.560 ATOM 348 CA LEU A 24 -5.000 -7.282 -0.367 ATOM 350 CB LEU A 24 -5.880 -8.392 0.258 ATOM 363 C LEU A 24 -5.656 -6.764 -1.623 ATOM 364 O LEU A 24 -5.478 -7.322 -2.706 ATOM 365 N PHE A 25 -6.442 -5.672 -1.499 ATOM 367 CA PHE A 25 -7.180 -5.074 -2.586 ATOM 369 CB PHE A 25 -8.370 -4.251 -2.015 ATOM 383 C PHE A 25 -6.229 -4.200 -3.381 ATOM 384 O PHE A 25 -5.317 -3.594 -2.821 ATOM 385 N LEU A 26 -6.413 -4.150 -4.722 ATOM 387 CA LEU A 26 -5.536 -3.441 -5.625 ATOM 389 CB LEU A 26 -5.642 -3.990 -7.072 ATOM 402 C LEU A 26 -5.934 -1.984 -5.673 ATOM 403 O LEU A 26 -7.001 -1.629 -6.173 ATOM 404 N VAL A 27 -5.065 -1.108 -5.133 ATOM 406 CA VAL A 27 -5.305 0.313 -5.039 ATOM 408 CB VAL A 27 -5.080 0.814 -3.616 ATOM 418 C VAL A 27 -4.325 0.974 -5.973 ATOM 419 O VAL A 27 -3.122 0.920 -5.741 ATOM 420 N TYR A 28 -4.810 1.621 -7.056 ATOM 422 CA TYR A 28 -3.950 2.306 -8.000 ATOM 424 CB TYR A 28 -4.352 2.064 -9.477 ATOM 439 C TYR A 28 -3.987 3.788 -7.738 ATOM 440 O TYR A 28 -4.834 4.509 -8.262 ATOM 441 N VAL A 29 -3.036 4.271 -6.914 ATOM 443 CA VAL A 29 -2.842 5.670 -6.606 ATOM 445 CB VAL A 29 -3.196 5.996 -5.153 ATOM 455 C VAL A 29 -1.394 5.933 -6.935 ATOM 456 O VAL A 29 -0.562 5.026 -6.877 ATOM 457 N PHE A 30 -1.055 7.181 -7.340 ATOM 459 CA PHE A 30 0.281 7.533 -7.765 ATOM 461 CB PHE A 30 0.282 8.896 -8.514 ATOM 475 C PHE A 30 1.184 7.629 -6.555 ATOM 476 O PHE A 30 1.068 8.540 -5.737 ATOM 477 N VAL A 31 2.120 6.667 -6.444 ATOM 479 CA VAL A 31 3.102 6.624 -5.391 ATOM 481 CB VAL A 31 3.067 5.323 -4.597 ATOM 491 C VAL A 31 4.421 6.777 -6.122 ATOM 492 O VAL A 31 4.673 5.988 -7.033 ATOM 493 N PRO A 32 5.291 7.744 -5.820 ATOM 494 CA PRO A 32 6.578 7.899 -6.489 ATOM 496 CB PRO A 32 7.161 9.207 -5.916 ATOM 505 C PRO A 32 7.520 6.751 -6.221 ATOM 506 O PRO A 32 7.406 6.111 -5.179 ATOM 507 N VAL A 33 8.471 6.504 -7.152 ATOM 509 CA VAL A 33 9.393 5.380 -7.167 ATOM 511 CB VAL A 33 10.333 5.479 -8.368 ATOM 521 C VAL A 33 10.233 5.323 -5.903 ATOM 522 O VAL A 33 10.453 4.252 -5.340 ATOM 523 N GLU A 34 10.694 6.495 -5.407 ATOM 525 CA GLU A 34 11.544 6.600 -4.238 ATOM 527 CB GLU A 34 12.050 8.043 -4.014 ATOM 536 C GLU A 34 10.826 6.171 -2.979 ATOM 537 O GLU A 34 11.413 5.550 -2.094 ATOM 538 N ALA A 35 9.512 6.473 -2.888 ATOM 540 CA ALA A 35 8.684 6.097 -1.771 ATOM 542 CB ALA A 35 7.335 6.838 -1.791 ATOM 546 C ALA A 35 8.452 4.604 -1.741 ATOM 547 O ALA A 35 8.371 4.017 -0.666 ATOM 548 N VAL A 36 8.390 3.943 -2.924 ATOM 550 CA VAL A 36 8.234 2.504 -3.041 ATOM 552 CB VAL A 36 7.923 2.072 -4.466 ATOM 562 C VAL A 36 9.470 1.792 -2.513 ATOM 563 O VAL A 36 9.354 0.757 -1.864 ATOM 564 N ALA A 37 10.690 2.344 -2.724 ATOM 566 CA ALA A 37 11.914 1.776 -2.190 ATOM 568 CB ALA A 37 13.162 2.502 -2.733 ATOM 572 C ALA A 37 11.942 1.803 -0.673 ATOM 573 O ALA A 37 12.368 0.843 -0.035 ATOM 574 N HIS A 38 11.440 2.894 -0.049 ATOM 576 CA HIS A 38 11.353 3.011 1.393 ATOM 578 CB HIS A 38 11.041 4.463 1.822 ATOM 589 C HIS A 38 10.300 2.075 1.960 ATOM 590 O HIS A 38 10.507 1.468 3.013 ATOM 591 N ARG A 39 9.159 1.891 1.244 ATOM 593 CA ARG A 39 8.135 0.933 1.618 ATOM 595 CB ARG A 39 6.852 0.961 0.750 ATOM 613 C ARG A 39 8.640 -0.487 1.558 ATOM 614 O ARG A 39 8.257 -1.298 2.389 ATOM 615 N HIS A 40 9.524 -0.827 0.592 ATOM 617 CA HIS A 40 10.117 -2.141 0.462 ATOM 619 CB HIS A 40 11.013 -2.231 -0.795 ATOM 630 C HIS A 40 10.961 -2.497 1.665 ATOM 631 O HIS A 40 10.877 -3.612 2.173 ATOM 632 N VAL A 41 11.771 -1.540 2.173 ATOM 634 CA VAL A 41 12.625 -1.735 3.329 ATOM 636 CB VAL A 41 13.606 -0.582 3.476 ATOM 646 C VAL A 41 11.784 -1.920 4.578 ATOM 647 O VAL A 41 12.048 -2.813 5.385 ATOM 648 N ALA A 42 10.705 -1.117 4.736 ATOM 650 CA ALA A 42 9.810 -1.221 5.870 ATOM 652 CB ALA A 42 8.840 -0.023 5.918 ATOM 656 C ALA A 42 9.009 -2.511 5.853 ATOM 657 O ALA A 42 8.758 -3.110 6.896 ATOM 658 N GLY A 43 8.623 -2.992 4.650 ATOM 660 CA GLY A 43 7.876 -4.211 4.436 ATOM 663 C GLY A 43 8.692 -5.435 4.724 ATOM 664 O GLY A 43 8.174 -6.414 5.248 ATOM 665 N THR A 44 10.011 -5.402 4.420 ATOM 667 CA THR A 44 10.931 -6.494 4.686 ATOM 669 CB THR A 44 12.265 -6.312 3.975 ATOM 677 C THR A 44 11.138 -6.624 6.180 ATOM 678 O THR A 44 11.163 -7.731 6.715 ATOM 679 N SER A 45 11.222 -5.482 6.904 ATOM 681 CA SER A 45 11.343 -5.448 8.351 ATOM 683 CB SER A 45 11.578 -4.011 8.880 ATOM 688 C SER A 45 10.103 -5.989 9.026 ATOM 689 O SER A 45 10.198 -6.720 10.008 ATOM 690 N ALA A 46 8.904 -5.669 8.488 ATOM 692 CA ALA A 46 7.630 -6.126 9.001 ATOM 694 CB ALA A 46 6.459 -5.414 8.293 ATOM 698 C ALA A 46 7.448 -7.618 8.843 ATOM 699 O ALA A 46 6.973 -8.291 9.756 ATOM 700 N LEU A 47 7.857 -8.182 7.684 ATOM 702 CA LEU A 47 7.781 -9.603 7.414 ATOM 704 CB LEU A 47 8.052 -9.927 5.923 ATOM 717 C LEU A 47 8.749 -10.374 8.278 ATOM 718 O LEU A 47 8.411 -11.444 8.774 ATOM 719 N ALA A 48 9.960 -9.827 8.529 ATOM 721 CA ALA A 48 10.946 -10.430 9.400 ATOM 723 CB ALA A 48 12.287 -9.674 9.322 ATOM 727 C ALA A 48 10.488 -10.461 10.842 ATOM 728 O ALA A 48 10.698 -11.442 11.550 ATOM 729 N ALA A 49 9.806 -9.385 11.296 ATOM 731 CA ALA A 49 9.263 -9.263 12.630 ATOM 733 CB ALA A 49 8.729 -7.840 12.885 ATOM 737 C ALA A 49 8.142 -10.245 12.875 ATOM 738 O ALA A 49 8.054 -10.827 13.954 ATOM 739 N PHE A 50 7.276 -10.475 11.857 ATOM 741 CA PHE A 50 6.174 -11.411 11.940 ATOM 743 CB PHE A 50 5.216 -11.282 10.714 ATOM 757 C PHE A 50 6.716 -12.826 12.016 ATOM 758 O PHE A 50 6.271 -13.619 12.844 ATOM 759 N CYS A 51 7.715 -13.163 11.165 ATOM 761 CA CYS A 51 8.276 -14.496 11.088 ATOM 763 CB CYS A 51 9.176 -14.684 9.843 ATOM 768 C CYS A 51 9.068 -14.851 12.327 ATOM 769 O CYS A 51 9.106 -16.013 12.726 ATOM 770 N GLY A 52 9.683 -13.846 12.992 ATOM 772 CA GLY A 52 10.407 -14.048 14.230 ATOM 775 C GLY A 52 9.514 -14.098 15.445 ATOM 776 O GLY A 52 9.967 -14.464 16.528 ATOM 777 N GLY A 53 8.216 -13.732 15.300 ATOM 779 CA GLY A 53 7.284 -13.641 16.403 ATOM 782 C GLY A 53 6.553 -14.924 16.657 ATOM 783 O GLY A 53 5.888 -15.057 17.683 ATOM 784 N ARG A 54 6.664 -15.921 15.744 ATOM 786 CA ARG A 54 5.975 -17.189 15.880 ATOM 788 CB ARG A 54 6.028 -18.060 14.601 ATOM 806 C ARG A 54 6.568 -18.005 17.005 ATOM 807 O ARG A 54 5.847 -18.670 17.745 ATOM 808 N ARG A 55 7.907 -17.937 17.186 ATOM 810 CA ARG A 55 8.619 -18.634 18.232 ATOM 812 CB ARG A 55 10.141 -18.547 18.005 ATOM 830 C ARG A 55 8.302 -18.049 19.591 ATOM 831 O ARG A 55 8.176 -18.784 20.568 ATOM 832 N GLY A 56 8.119 -16.706 19.673 ATOM 834 CA GLY A 56 7.765 -16.008 20.893 ATOM 837 C GLY A 56 6.373 -16.349 21.349 ATOM 838 O GLY A 56 6.134 -16.571 22.534 ATOM 839 N SER A 57 5.419 -16.446 20.393 ATOM 841 CA SER A 57 4.043 -16.818 20.656 ATOM 843 CB SER A 57 3.153 -16.672 19.398 ATOM 848 C SER A 57 3.948 -18.256 21.106 ATOM 849 O SER A 57 3.183 -18.584 22.008 ATOM 850 N SER A 58 4.769 -19.149 20.506 ATOM 852 CA SER A 58 4.819 -20.558 20.840 ATOM 854 CB SER A 58 5.684 -21.368 19.845 ATOM 859 C SER A 58 5.380 -20.784 22.224 ATOM 860 O SER A 58 4.920 -21.672 22.936 ATOM 861 N THR A 59 6.366 -19.959 22.655 ATOM 863 CA THR A 59 6.959 -20.023 23.983 ATOM 865 CB THR A 59 8.175 -19.116 24.125 ATOM 873 C THR A 59 5.932 -19.638 25.025 ATOM 874 O THR A 59 5.826 -20.287 26.063 ATOM 875 N GLU A 60 5.110 -18.597 24.747 ATOM 877 CA GLU A 60 4.060 -18.157 25.642 ATOM 879 CB GLU A 60 3.398 -16.839 25.179 ATOM 888 C GLU A 60 2.970 -19.192 25.818 ATOM 889 O GLU A 60 2.493 -19.389 26.931 ATOM 890 N ILE A 61 2.565 -19.899 24.735 ATOM 892 CA ILE A 61 1.539 -20.928 24.784 ATOM 894 CB ILE A 61 1.059 -21.314 23.387 ATOM 907 C ILE A 61 2.042 -22.141 25.542 ATOM 908 O ILE A 61 1.307 -22.723 26.339 ATOM 909 N TYR A 62 3.325 -22.533 25.344 ATOM 911 CA TYR A 62 3.925 -23.677 26.004 ATOM 913 CB TYR A 62 5.323 -23.993 25.391 ATOM 928 C TYR A 62 4.043 -23.434 27.502 ATOM 929 O TYR A 62 3.816 -24.342 28.301 ATOM 930 N ALA A 63 4.392 -22.192 27.909 ATOM 932 CA ALA A 63 4.561 -21.821 29.294 ATOM 934 CB ALA A 63 5.289 -20.462 29.397 ATOM 938 C ALA A 63 3.243 -21.722 30.032 ATOM 939 O ALA A 63 3.075 -22.360 31.069 ATOM 940 N GLN A 64 2.296 -20.928 29.476 ATOM 942 CA GLN A 64 0.973 -20.580 29.967 ATOM 944 CB GLN A 64 -0.155 -21.215 29.117 ATOM 955 C GLN A 64 0.725 -20.760 31.491 ATOM 956 O GLN A 64 1.295 -19.946 32.264 TER END

Sequence

MGPRPRRPYPCRTAASGTVRSGSLFLVYVFVPVEAVAHRHVAGTSALAAFCGGRRGSSTEIYAQ

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