User input for job 702041

Modeling method CM only

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

Partial threads

wt: 1 >query MLHLYRGYGTAVSMRKVGVRNAAAEPLGRKGGGRRAPWRQRAPRPVKRSC >model_6-3.pdb MLHLYRGYGTAVSMRKVGVRNAAAEPLGRKGGGRRAPWRQRAPRPVKRSC ATOM 1 N MET A 1 -1.162 -10.642 56.189 ATOM 5 CA MET A 1 -0.604 -9.868 55.044 ATOM 7 CB MET A 1 0.909 -9.577 55.270 ATOM 18 C MET A 1 -0.767 -10.590 53.737 ATOM 19 O MET A 1 -1.197 -10.003 52.746 ATOM 20 N LEU A 2 -0.418 -11.899 53.701 ATOM 22 CA LEU A 2 -0.304 -12.675 52.487 ATOM 24 CB LEU A 2 0.296 -14.077 52.767 ATOM 37 C LEU A 2 -1.640 -12.861 51.814 ATOM 38 O LEU A 2 -1.718 -12.839 50.589 ATOM 39 N HIS A 3 -2.733 -13.001 52.600 ATOM 41 CA HIS A 3 -4.078 -13.128 52.077 ATOM 43 CB HIS A 3 -5.120 -13.574 53.137 ATOM 54 C HIS A 3 -4.560 -11.867 51.389 ATOM 55 O HIS A 3 -5.262 -11.938 50.383 ATOM 56 N LEU A 4 -4.156 -10.676 51.895 ATOM 58 CA LEU A 4 -4.507 -9.398 51.310 ATOM 60 CB LEU A 4 -4.150 -8.208 52.240 ATOM 73 C LEU A 4 -3.790 -9.197 49.997 ATOM 74 O LEU A 4 -4.414 -8.834 49.003 ATOM 75 N TYR A 5 -2.463 -9.471 49.945 ATOM 77 CA TYR A 5 -1.685 -9.317 48.732 ATOM 79 CB TYR A 5 -0.152 -9.416 48.959 ATOM 94 C TYR A 5 -2.072 -10.310 47.665 ATOM 95 O TYR A 5 -2.027 -9.986 46.482 ATOM 96 N ARG A 6 -2.509 -11.530 48.050 ATOM 98 CA ARG A 6 -3.002 -12.522 47.119 ATOM 100 CB ARG A 6 -3.221 -13.890 47.813 ATOM 118 C ARG A 6 -4.308 -12.076 46.495 ATOM 119 O ARG A 6 -4.498 -12.220 45.290 ATOM 120 N GLY A 7 -5.225 -11.481 47.298 ATOM 122 CA GLY A 7 -6.529 -11.040 46.836 ATOM 125 C GLY A 7 -6.457 -9.888 45.870 ATOM 126 O GLY A 7 -7.142 -9.886 44.849 ATOM 127 N TYR A 8 -5.592 -8.886 46.155 ATOM 129 CA TYR A 8 -5.404 -7.757 45.266 ATOM 131 CB TYR A 8 -4.686 -6.555 45.939 ATOM 146 C TYR A 8 -4.586 -8.142 44.054 ATOM 147 O TYR A 8 -4.834 -7.644 42.958 ATOM 148 N GLY A 9 -3.606 -9.062 44.218 ATOM 150 CA GLY A 9 -2.705 -9.498 43.173 ATOM 153 C GLY A 9 -3.408 -10.264 42.095 ATOM 154 O GLY A 9 -3.115 -10.085 40.916 ATOM 155 N THR A 10 -4.391 -11.116 42.477 ATOM 157 CA THR A 10 -5.200 -11.887 41.551 ATOM 159 CB THR A 10 -6.068 -12.929 42.244 ATOM 167 C THR A 10 -6.069 -10.969 40.727 ATOM 168 O THR A 10 -6.172 -11.143 39.518 ATOM 169 N ALA A 11 -6.669 -9.927 41.346 ATOM 171 CA ALA A 11 -7.523 -8.982 40.655 ATOM 173 CB ALA A 11 -8.143 -7.983 41.652 ATOM 177 C ALA A 11 -6.783 -8.186 39.600 ATOM 178 O ALA A 11 -7.263 -8.049 38.477 ATOM 179 N VAL A 12 -5.571 -7.677 39.928 ATOM 181 CA VAL A 12 -4.762 -6.896 39.010 ATOM 183 CB VAL A 12 -3.589 -6.224 39.710 ATOM 193 C VAL A 12 -4.269 -7.747 37.858 ATOM 194 O VAL A 12 -4.322 -7.316 36.709 ATOM 195 N SER A 13 -3.809 -8.991 38.128 ATOM 197 CA SER A 13 -3.291 -9.890 37.113 ATOM 199 CB SER A 13 -2.693 -11.184 37.716 ATOM 204 C SER A 13 -4.346 -10.314 36.117 ATOM 205 O SER A 13 -4.084 -10.352 34.918 ATOM 206 N MET A 14 -5.577 -10.621 36.590 ATOM 208 CA MET A 14 -6.683 -11.030 35.744 ATOM 210 CB MET A 14 -7.876 -11.579 36.573 ATOM 221 C MET A 14 -7.180 -9.894 34.879 ATOM 222 O MET A 14 -7.564 -10.106 33.729 ATOM 223 N ARG A 15 -7.166 -8.648 35.410 ATOM 225 CA ARG A 15 -7.625 -7.480 34.689 ATOM 227 CB ARG A 15 -7.842 -6.274 35.646 ATOM 245 C ARG A 15 -6.650 -7.100 33.596 ATOM 246 O ARG A 15 -7.060 -6.715 32.502 ATOM 247 N LYS A 16 -5.329 -7.220 33.865 ATOM 249 CA LYS A 16 -4.304 -6.830 32.927 ATOM 251 CB LYS A 16 -2.937 -6.684 33.622 ATOM 267 C LYS A 16 -4.191 -7.831 31.805 ATOM 268 O LYS A 16 -3.575 -8.889 31.926 ATOM 269 N VAL A 17 -4.794 -7.475 30.657 ATOM 271 CA VAL A 17 -4.691 -8.233 29.446 ATOM 273 CB VAL A 17 -6.030 -8.465 28.769 ATOM 283 C VAL A 17 -3.796 -7.376 28.614 ATOM 284 O VAL A 17 -4.151 -6.259 28.243 ATOM 285 N GLY A 18 -2.577 -7.883 28.332 ATOM 287 CA GLY A 18 -1.579 -7.144 27.602 ATOM 290 C GLY A 18 -1.904 -7.317 26.161 ATOM 291 O GLY A 18 -1.650 -8.369 25.579 ATOM 292 N VAL A 19 -2.519 -6.273 25.563 ATOM 294 CA VAL A 19 -3.064 -6.342 24.232 ATOM 296 CB VAL A 19 -4.045 -5.217 23.942 ATOM 306 C VAL A 19 -1.904 -6.272 23.283 ATOM 307 O VAL A 19 -1.208 -5.264 23.184 ATOM 308 N ARG A 20 -1.659 -7.398 22.586 ATOM 310 CA ARG A 20 -0.510 -7.541 21.743 ATOM 312 CB ARG A 20 -0.098 -9.013 21.537 ATOM 330 C ARG A 20 -0.850 -6.953 20.410 ATOM 331 O ARG A 20 -1.800 -7.381 19.759 ATOM 332 N ASN A 21 -0.069 -5.937 19.993 ATOM 334 CA ASN A 21 -0.210 -5.327 18.700 ATOM 336 CB ASN A 21 0.091 -3.801 18.766 ATOM 344 C ASN A 21 0.755 -6.070 17.819 ATOM 345 O ASN A 21 1.972 -5.913 17.920 ATOM 346 N ALA A 22 0.207 -6.929 16.934 ATOM 348 CA ALA A 22 0.989 -7.749 16.044 ATOM 350 CB ALA A 22 0.170 -8.899 15.430 ATOM 354 C ALA A 22 1.541 -6.890 14.945 ATOM 355 O ALA A 22 0.887 -5.952 14.488 ATOM 356 N ALA A 23 2.791 -7.175 14.519 ATOM 358 CA ALA A 23 3.512 -6.305 13.627 ATOM 360 CB ALA A 23 5.000 -6.695 13.536 ATOM 364 C ALA A 23 2.913 -6.330 12.247 ATOM 365 O ALA A 23 2.981 -7.328 11.531 ATOM 366 N ALA A 24 2.297 -5.192 11.856 ATOM 368 CA ALA A 24 1.677 -5.027 10.573 ATOM 370 CB ALA A 24 0.499 -4.032 10.612 ATOM 374 C ALA A 24 2.752 -4.491 9.689 ATOM 375 O ALA A 24 3.080 -3.306 9.728 ATOM 376 N GLU A 25 3.363 -5.390 8.897 ATOM 378 CA GLU A 25 4.565 -5.092 8.169 ATOM 380 CB GLU A 25 5.347 -6.378 7.824 ATOM 389 C GLU A 25 4.165 -4.395 6.889 ATOM 390 O GLU A 25 3.434 -5.003 6.106 ATOM 391 N PRO A 26 4.555 -3.145 6.631 ATOM 392 CA PRO A 26 4.073 -2.393 5.481 ATOM 394 CB PRO A 26 4.293 -0.932 5.920 ATOM 403 C PRO A 26 4.901 -2.702 4.245 ATOM 404 O PRO A 26 5.624 -1.831 3.764 ATOM 405 N LEU A 27 4.812 -3.935 3.700 ATOM 407 CA LEU A 27 5.715 -4.387 2.659 ATOM 409 CB LEU A 27 6.060 -5.891 2.769 ATOM 422 C LEU A 27 5.186 -4.141 1.266 ATOM 423 O LEU A 27 5.641 -4.771 0.311 ATOM 424 N GLY A 28 4.217 -3.215 1.107 ATOM 426 CA GLY A 28 3.743 -2.788 -0.189 ATOM 429 C GLY A 28 4.394 -1.506 -0.626 ATOM 430 O GLY A 28 4.467 -1.215 -1.818 ATOM 431 N ARG A 29 4.858 -0.684 0.343 ATOM 433 CA ARG A 29 5.264 0.683 0.106 ATOM 435 CB ARG A 29 5.251 1.488 1.430 ATOM 453 C ARG A 29 6.664 0.772 -0.456 ATOM 454 O ARG A 29 6.984 1.698 -1.201 ATOM 455 N LYS A 30 7.534 -0.191 -0.084 ATOM 457 CA LYS A 30 8.952 -0.180 -0.356 ATOM 459 CB LYS A 30 9.658 -1.357 0.370 ATOM 475 C LYS A 30 9.231 -0.298 -1.840 ATOM 476 O LYS A 30 8.612 -1.097 -2.542 ATOM 477 N GLY A 31 10.169 0.528 -2.352 ATOM 479 CA GLY A 31 10.491 0.528 -3.755 ATOM 482 C GLY A 31 11.500 1.602 -3.991 ATOM 483 O GLY A 31 11.752 2.442 -3.130 ATOM 484 N GLY A 32 12.104 1.609 -5.201 ATOM 486 CA GLY A 32 13.144 2.548 -5.564 ATOM 489 C GLY A 32 12.609 3.896 -5.954 ATOM 490 O GLY A 32 13.359 4.869 -6.005 ATOM 491 N GLY A 33 11.292 3.983 -6.244 ATOM 493 CA GLY A 33 10.634 5.208 -6.629 ATOM 496 C GLY A 33 10.508 5.248 -8.115 ATOM 497 O GLY A 33 11.378 4.783 -8.852 ATOM 498 N ARG A 34 9.400 5.837 -8.604 ATOM 500 CA ARG A 34 9.152 5.949 -10.018 ATOM 502 CB ARG A 34 7.669 6.269 -10.326 ATOM 520 C ARG A 34 9.993 7.082 -10.542 ATOM 521 O ARG A 34 9.906 8.209 -10.053 ATOM 522 N ARG A 35 10.835 6.811 -11.568 ATOM 524 CA ARG A 35 11.641 7.846 -12.166 ATOM 526 CB ARG A 35 12.849 7.289 -12.945 ATOM 544 C ARG A 35 10.712 8.583 -13.087 ATOM 545 O ARG A 35 10.147 8.001 -14.013 ATOM 546 N ALA A 36 10.473 9.877 -12.784 ATOM 548 CA ALA A 36 9.347 10.602 -13.319 ATOM 550 CB ALA A 36 9.185 11.972 -12.634 ATOM 554 C ALA A 36 9.495 10.804 -14.808 ATOM 555 O ALA A 36 10.614 11.034 -15.267 ATOM 556 N PRO A 37 8.436 10.697 -15.615 ATOM 557 CA PRO A 37 8.564 10.674 -17.062 ATOM 559 CB PRO A 37 7.170 10.271 -17.573 ATOM 568 C PRO A 37 8.982 12.024 -17.590 ATOM 569 O PRO A 37 9.541 12.080 -18.678 ATOM 570 N TRP A 38 8.750 13.121 -16.840 ATOM 572 CA TRP A 38 9.142 14.449 -17.245 ATOM 574 CB TRP A 38 8.280 15.510 -16.525 ATOM 592 C TRP A 38 10.614 14.672 -16.987 ATOM 593 O TRP A 38 11.279 15.382 -17.739 ATOM 594 N ARG A 39 11.179 14.010 -15.948 ATOM 596 CA ARG A 39 12.606 14.010 -15.703 ATOM 598 CB ARG A 39 12.999 13.452 -14.316 ATOM 616 C ARG A 39 13.328 13.212 -16.764 ATOM 617 O ARG A 39 14.406 13.597 -17.202 ATOM 618 N GLN A 40 12.722 12.094 -17.229 ATOM 620 CA GLN A 40 13.257 11.239 -18.268 ATOM 622 CB GLN A 40 12.383 9.965 -18.413 ATOM 633 C GLN A 40 13.327 11.962 -19.602 ATOM 634 O GLN A 40 14.320 11.861 -20.321 ATOM 635 N ARG A 41 12.272 12.738 -19.945 ATOM 637 CA ARG A 41 12.210 13.508 -21.170 ATOM 639 CB ARG A 41 10.789 14.077 -21.431 ATOM 657 C ARG A 41 13.181 14.667 -21.171 ATOM 658 O ARG A 41 13.792 14.951 -22.199 ATOM 659 N ALA A 42 13.352 15.371 -20.026 ATOM 661 CA ALA A 42 14.169 16.568 -19.975 ATOM 663 CB ALA A 42 13.878 17.414 -18.717 ATOM 667 C ALA A 42 15.657 16.251 -19.984 ATOM 668 O ALA A 42 16.102 15.489 -19.128 ATOM 669 N PRO A 43 16.480 16.781 -20.903 ATOM 670 CA PRO A 43 17.875 16.383 -21.017 ATOM 672 CB PRO A 43 18.306 16.898 -22.406 ATOM 681 C PRO A 43 18.754 16.961 -19.930 ATOM 682 O PRO A 43 19.801 16.379 -19.668 ATOM 683 N ARG A 44 18.387 18.101 -19.304 ATOM 685 CA ARG A 44 19.267 18.836 -18.415 ATOM 687 CB ARG A 44 18.772 20.285 -18.179 ATOM 705 C ARG A 44 19.530 18.121 -17.098 ATOM 706 O ARG A 44 20.713 17.925 -16.808 ATOM 707 N PRO A 45 18.578 17.667 -16.263 ATOM 708 CA PRO A 45 18.911 16.942 -15.043 ATOM 710 CB PRO A 45 17.589 16.870 -14.254 ATOM 719 C PRO A 45 19.471 15.563 -15.318 ATOM 720 O PRO A 45 20.150 15.030 -14.442 ATOM 721 N VAL A 46 19.227 14.972 -16.513 ATOM 723 CA VAL A 46 19.745 13.666 -16.871 ATOM 725 CB VAL A 46 19.010 13.061 -18.058 ATOM 735 C VAL A 46 21.234 13.782 -17.133 ATOM 736 O VAL A 46 22.008 12.966 -16.643 ATOM 737 N LYS A 47 21.686 14.839 -17.853 ATOM 739 CA LYS A 47 23.097 15.094 -18.087 ATOM 741 CB LYS A 47 23.340 16.256 -19.075 ATOM 757 C LYS A 47 23.844 15.420 -16.818 ATOM 758 O LYS A 47 24.993 15.018 -16.654 ATOM 759 N ARG A 48 23.199 16.145 -15.878 ATOM 761 CA ARG A 48 23.787 16.520 -14.611 ATOM 763 CB ARG A 48 22.869 17.543 -13.900 ATOM 781 C ARG A 48 23.996 15.306 -13.726 ATOM 782 O ARG A 48 25.028 15.181 -13.067 ATOM 783 N SER A 49 23.024 14.363 -13.717 ATOM 785 CA SER A 49 23.084 13.145 -12.935 ATOM 787 CB SER A 49 21.691 12.452 -12.911 ATOM 792 C SER A 49 24.126 12.189 -13.484 ATOM 793 O SER A 49 24.888 11.596 -12.721 ATOM 794 N CYS A 50 24.187 12.021 -14.824 ATOM 796 CA CYS A 50 25.077 11.068 -15.452 ATOM 798 CB CYS A 50 24.709 10.781 -16.927 ATOM 803 C CYS A 50 26.538 11.576 -15.426 ATOM 804 O CYS A 50 27.414 10.820 -14.930 TER END

Sequence

MLHLYRGYGTAVSMRKVGVRNAAAEPLGRKGGGRRAPWRQRAPRPVKRSC

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