User input for job 701896

Modeling method CM only

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

Partial threads

wt: 1 >query MRKHGGHTEACRYAVMKALAITCALDSIARCTTSEQVSRQGEPEGPLRRALTFLRKNEDMMLLM >model_7-3.pdb MRKHGGHTEACRYAVMKALAITCALDSIARCTTSEQVSRQGEPEGPLRRALTFLRKNEDMMLLM ATOM 1 N MET A 1 17.678 4.332 -26.134 ATOM 5 CA MET A 1 16.893 3.315 -25.381 ATOM 7 CB MET A 1 17.216 1.878 -25.883 ATOM 18 C MET A 1 17.094 3.329 -23.894 ATOM 19 O MET A 1 16.178 2.973 -23.160 ATOM 20 N ARG A 2 18.286 3.736 -23.398 ATOM 22 CA ARG A 2 18.639 3.669 -21.996 ATOM 24 CB ARG A 2 20.120 4.063 -21.794 ATOM 42 C ARG A 2 17.770 4.566 -21.147 ATOM 43 O ARG A 2 17.263 4.158 -20.104 ATOM 44 N LYS A 3 17.547 5.813 -21.617 ATOM 46 CA LYS A 3 16.764 6.809 -20.924 ATOM 48 CB LYS A 3 16.918 8.190 -21.605 ATOM 64 C LYS A 3 15.304 6.421 -20.880 ATOM 65 O LYS A 3 14.652 6.551 -19.847 ATOM 66 N HIS A 4 14.771 5.879 -21.999 ATOM 68 CA HIS A 4 13.396 5.439 -22.103 ATOM 70 CB HIS A 4 13.044 5.057 -23.561 ATOM 81 C HIS A 4 13.115 4.251 -21.208 ATOM 82 O HIS A 4 12.073 4.191 -20.558 ATOM 83 N GLY A 5 14.067 3.292 -21.127 ATOM 85 CA GLY A 5 13.936 2.092 -20.326 ATOM 88 C GLY A 5 13.990 2.397 -18.855 ATOM 89 O GLY A 5 13.263 1.801 -18.062 ATOM 90 N GLY A 6 14.836 3.381 -18.464 ATOM 92 CA GLY A 6 14.961 3.844 -17.099 ATOM 95 C GLY A 6 13.744 4.596 -16.639 ATOM 96 O GLY A 6 13.331 4.484 -15.486 ATOM 97 N HIS A 7 13.112 5.367 -17.554 ATOM 99 CA HIS A 7 11.903 6.113 -17.282 ATOM 101 CB HIS A 7 11.573 7.095 -18.433 ATOM 112 C HIS A 7 10.729 5.191 -17.064 ATOM 113 O HIS A 7 9.933 5.409 -16.156 ATOM 114 N THR A 8 10.619 4.105 -17.865 ATOM 116 CA THR A 8 9.542 3.137 -17.760 ATOM 118 CB THR A 8 9.528 2.172 -18.935 ATOM 126 C THR A 8 9.639 2.378 -16.455 ATOM 127 O THR A 8 8.637 2.181 -15.775 ATOM 128 N GLU A 9 10.867 1.988 -16.041 ATOM 130 CA GLU A 9 11.126 1.299 -14.793 ATOM 132 CB GLU A 9 12.628 0.942 -14.709 ATOM 141 C GLU A 9 10.747 2.149 -13.597 ATOM 142 O GLU A 9 10.105 1.672 -12.662 ATOM 143 N ALA A 10 11.101 3.456 -13.634 ATOM 145 CA ALA A 10 10.803 4.413 -12.591 ATOM 147 CB ALA A 10 11.482 5.770 -12.871 ATOM 151 C ALA A 10 9.319 4.651 -12.443 ATOM 152 O ALA A 10 8.811 4.748 -11.329 ATOM 153 N CYS A 11 8.578 4.715 -13.575 ATOM 155 CA CYS A 11 7.142 4.893 -13.587 ATOM 157 CB CYS A 11 6.578 5.146 -15.006 ATOM 162 C CYS A 11 6.440 3.686 -13.020 ATOM 163 O CYS A 11 5.496 3.836 -12.254 ATOM 164 N ARG A 12 6.903 2.454 -13.341 ATOM 166 CA ARG A 12 6.323 1.239 -12.802 ATOM 168 CB ARG A 12 6.840 -0.044 -13.487 ATOM 186 C ARG A 12 6.530 1.121 -11.308 ATOM 187 O ARG A 12 5.601 0.760 -10.591 ATOM 188 N TYR A 13 7.732 1.492 -10.798 ATOM 190 CA TYR A 13 8.039 1.565 -9.380 ATOM 192 CB TYR A 13 9.530 1.983 -9.161 ATOM 207 C TYR A 13 7.109 2.532 -8.674 ATOM 208 O TYR A 13 6.570 2.208 -7.620 ATOM 209 N ALA A 14 6.880 3.728 -9.261 ATOM 211 CA ALA A 14 6.055 4.760 -8.678 ATOM 213 CB ALA A 14 6.132 6.062 -9.502 ATOM 217 C ALA A 14 4.608 4.345 -8.564 ATOM 218 O ALA A 14 3.980 4.583 -7.536 ATOM 219 N VAL A 15 4.056 3.677 -9.606 ATOM 221 CA VAL A 15 2.685 3.204 -9.620 ATOM 223 CB VAL A 15 2.251 2.732 -11.004 ATOM 233 C VAL A 15 2.496 2.113 -8.590 ATOM 234 O VAL A 15 1.543 2.162 -7.817 ATOM 235 N MET A 16 3.423 1.129 -8.507 ATOM 237 CA MET A 16 3.321 0.040 -7.555 ATOM 239 CB MET A 16 4.392 -1.047 -7.788 ATOM 250 C MET A 16 3.415 0.522 -6.126 ATOM 251 O MET A 16 2.673 0.060 -5.262 ATOM 252 N LYS A 17 4.300 1.507 -5.853 ATOM 254 CA LYS A 17 4.472 2.067 -4.533 ATOM 256 CB LYS A 17 5.710 2.985 -4.454 ATOM 272 C LYS A 17 3.241 2.840 -4.116 ATOM 273 O LYS A 17 2.798 2.732 -2.978 ATOM 274 N ALA A 18 2.622 3.606 -5.045 ATOM 276 CA ALA A 18 1.414 4.362 -4.788 ATOM 278 CB ALA A 18 1.045 5.246 -5.996 ATOM 282 C ALA A 18 0.241 3.464 -4.470 ATOM 283 O ALA A 18 -0.533 3.748 -3.557 ATOM 284 N LEU A 19 0.112 2.325 -5.190 ATOM 286 CA LEU A 19 -0.923 1.342 -4.945 ATOM 288 CB LEU A 19 -0.983 0.262 -6.053 ATOM 301 C LEU A 19 -0.740 0.675 -3.603 ATOM 302 O LEU A 19 -1.711 0.466 -2.884 ATOM 303 N ALA A 20 0.520 0.380 -3.205 ATOM 305 CA ALA A 20 0.844 -0.182 -1.911 ATOM 307 CB ALA A 20 2.346 -0.503 -1.810 ATOM 311 C ALA A 20 0.479 0.749 -0.776 ATOM 312 O ALA A 20 -0.089 0.313 0.223 ATOM 313 N ILE A 21 0.758 2.070 -0.922 ATOM 315 CA ILE A 21 0.426 3.087 0.064 ATOM 317 CB ILE A 21 1.057 4.446 -0.251 ATOM 330 C ILE A 21 -1.076 3.193 0.215 ATOM 331 O ILE A 21 -1.576 3.260 1.333 ATOM 332 N THR A 22 -1.840 3.154 -0.904 ATOM 334 CA THR A 22 -3.289 3.267 -0.883 ATOM 336 CB THR A 22 -3.881 3.389 -2.279 ATOM 344 C THR A 22 -3.903 2.080 -0.175 ATOM 345 O THR A 22 -4.797 2.246 0.651 ATOM 346 N CYS A 23 -3.395 0.853 -0.433 ATOM 348 CA CYS A 23 -3.869 -0.361 0.202 ATOM 350 CB CYS A 23 -3.212 -1.620 -0.411 ATOM 355 C CYS A 23 -3.581 -0.357 1.687 ATOM 356 O CYS A 23 -4.420 -0.777 2.480 ATOM 357 N ALA A 24 -2.399 0.157 2.098 ATOM 359 CA ALA A 24 -1.994 0.274 3.482 ATOM 361 CB ALA A 24 -0.534 0.764 3.580 ATOM 365 C ALA A 24 -2.884 1.227 4.246 ATOM 366 O ALA A 24 -3.328 0.915 5.348 ATOM 367 N LEU A 25 -3.211 2.399 3.653 ATOM 369 CA LEU A 25 -4.080 3.387 4.260 ATOM 371 CB LEU A 25 -4.110 4.719 3.470 ATOM 384 C LEU A 25 -5.496 2.886 4.394 ATOM 385 O LEU A 25 -6.150 3.159 5.397 ATOM 386 N ASP A 26 -5.992 2.104 3.405 ATOM 388 CA ASP A 26 -7.312 1.506 3.450 ATOM 390 CB ASP A 26 -7.689 0.815 2.112 ATOM 396 C ASP A 26 -7.400 0.477 4.554 ATOM 397 O ASP A 26 -8.405 0.406 5.257 ATOM 398 N SER A 27 -6.324 -0.319 4.763 ATOM 400 CA SER A 27 -6.248 -1.299 5.829 ATOM 402 CB SER A 27 -4.983 -2.186 5.743 ATOM 407 C SER A 27 -6.258 -0.645 7.188 ATOM 408 O SER A 27 -6.950 -1.116 8.086 ATOM 409 N ILE A 28 -5.531 0.489 7.362 ATOM 411 CA ILE A 28 -5.503 1.251 8.601 ATOM 413 CB ILE A 28 -4.471 2.377 8.576 ATOM 426 C ILE A 28 -6.883 1.797 8.899 ATOM 427 O ILE A 28 -7.340 1.703 10.034 ATOM 428 N ALA A 29 -7.601 2.332 7.883 ATOM 430 CA ALA A 29 -8.923 2.894 8.052 ATOM 432 CB ALA A 29 -9.412 3.567 6.752 ATOM 436 C ALA A 29 -9.941 1.857 8.474 ATOM 437 O ALA A 29 -10.726 2.100 9.389 ATOM 438 N ARG A 30 -9.920 0.652 7.848 ATOM 440 CA ARG A 30 -10.841 -0.421 8.176 ATOM 442 CB ARG A 30 -10.763 -1.643 7.224 ATOM 460 C ARG A 30 -10.593 -0.948 9.566 ATOM 461 O ARG A 30 -11.533 -1.201 10.318 ATOM 462 N CYS A 31 -9.307 -1.094 9.953 ATOM 464 CA CYS A 31 -8.929 -1.557 11.264 ATOM 466 CB CYS A 31 -7.432 -1.889 11.363 ATOM 471 C CYS A 31 -9.283 -0.564 12.340 ATOM 472 O CYS A 31 -9.713 -0.974 13.409 ATOM 473 N THR A 32 -9.161 0.761 12.085 ATOM 475 CA THR A 32 -9.495 1.801 13.048 ATOM 477 CB THR A 32 -9.076 3.196 12.602 ATOM 485 C THR A 32 -10.981 1.797 13.310 ATOM 486 O THR A 32 -11.407 1.864 14.459 ATOM 487 N THR A 33 -11.809 1.654 12.248 ATOM 489 CA THR A 33 -13.259 1.603 12.348 ATOM 491 CB THR A 33 -13.906 1.573 10.971 ATOM 499 C THR A 33 -13.695 0.390 13.149 ATOM 500 O THR A 33 -14.593 0.477 13.985 ATOM 501 N SER A 34 -13.020 -0.765 12.943 ATOM 503 CA SER A 34 -13.277 -1.990 13.673 ATOM 505 CB SER A 34 -12.481 -3.180 13.091 ATOM 510 C SER A 34 -12.905 -1.863 15.133 ATOM 511 O SER A 34 -13.657 -2.311 15.993 ATOM 512 N GLU A 35 -11.757 -1.213 15.447 ATOM 514 CA GLU A 35 -11.271 -0.978 16.795 ATOM 516 CB GLU A 35 -9.818 -0.466 16.864 ATOM 525 C GLU A 35 -12.144 -0.057 17.598 ATOM 526 O GLU A 35 -12.246 -0.213 18.813 ATOM 527 N GLN A 36 -12.826 0.908 16.940 ATOM 529 CA GLN A 36 -13.808 1.753 17.591 ATOM 531 CB GLN A 36 -14.320 2.902 16.681 ATOM 542 C GLN A 36 -15.004 0.974 18.101 ATOM 543 O GLN A 36 -15.580 1.340 19.123 ATOM 544 N VAL A 37 -15.391 -0.135 17.427 ATOM 546 CA VAL A 37 -16.453 -1.012 17.880 ATOM 548 CB VAL A 37 -16.998 -1.867 16.734 ATOM 558 C VAL A 37 -15.920 -1.883 19.008 ATOM 559 O VAL A 37 -16.479 -1.893 20.104 ATOM 560 N SER A 38 -14.804 -2.613 18.776 ATOM 562 CA SER A 38 -14.171 -3.423 19.795 ATOM 564 CB SER A 38 -14.786 -4.850 19.900 ATOM 569 C SER A 38 -12.734 -3.537 19.379 ATOM 570 O SER A 38 -12.445 -3.810 18.215 ATOM 571 N ARG A 39 -11.786 -3.336 20.324 ATOM 573 CA ARG A 39 -10.375 -3.338 20.006 ATOM 575 CB ARG A 39 -9.480 -2.711 21.100 ATOM 593 C ARG A 39 -9.846 -4.724 19.735 ATOM 594 O ARG A 39 -10.321 -5.724 20.270 ATOM 595 N GLN A 40 -8.812 -4.777 18.868 ATOM 597 CA GLN A 40 -8.090 -5.969 18.502 ATOM 599 CB GLN A 40 -7.340 -5.731 17.169 ATOM 610 C GLN A 40 -7.093 -6.305 19.584 ATOM 611 O GLN A 40 -6.864 -7.472 19.896 ATOM 612 N GLY A 41 -6.491 -5.264 20.195 ATOM 614 CA GLY A 41 -5.539 -5.430 21.256 ATOM 617 C GLY A 41 -4.769 -4.160 21.297 ATOM 618 O GLY A 41 -5.186 -3.186 21.922 ATOM 619 N GLU A 42 -3.609 -4.147 20.610 ATOM 621 CA GLU A 42 -2.723 -3.013 20.595 ATOM 623 CB GLU A 42 -1.262 -3.430 20.285 ATOM 632 C GLU A 42 -3.157 -2.083 19.481 ATOM 633 O GLU A 42 -3.323 -2.567 18.361 ATOM 634 N PRO A 43 -3.334 -0.771 19.675 ATOM 635 CA PRO A 43 -3.686 0.157 18.603 ATOM 637 CB PRO A 43 -4.049 1.459 19.342 ATOM 646 C PRO A 43 -2.531 0.395 17.653 ATOM 647 O PRO A 43 -2.749 0.962 16.583 ATOM 648 N GLU A 44 -1.303 -0.038 18.019 ATOM 650 CA GLU A 44 -0.132 0.020 17.183 ATOM 652 CB GLU A 44 1.166 -0.194 18.003 ATOM 661 C GLU A 44 -0.162 -1.086 16.158 ATOM 662 O GLU A 44 0.532 -0.997 15.153 ATOM 663 N GLY A 45 -0.973 -2.150 16.391 ATOM 665 CA GLY A 45 -1.090 -3.322 15.546 ATOM 668 C GLY A 45 -1.363 -3.030 14.092 ATOM 669 O GLY A 45 -0.578 -3.485 13.263 ATOM 670 N PRO A 46 -2.401 -2.282 13.706 ATOM 671 CA PRO A 46 -2.683 -1.988 12.304 ATOM 673 CB PRO A 46 -4.013 -1.221 12.334 ATOM 682 C PRO A 46 -1.621 -1.152 11.635 ATOM 683 O PRO A 46 -1.384 -1.332 10.443 ATOM 684 N LEU A 47 -0.952 -0.247 12.385 ATOM 686 CA LEU A 47 0.057 0.634 11.846 ATOM 688 CB LEU A 47 0.438 1.733 12.869 ATOM 701 C LEU A 47 1.289 -0.170 11.525 ATOM 702 O LEU A 47 1.879 -0.018 10.460 ATOM 703 N ARG A 48 1.675 -1.094 12.433 ATOM 705 CA ARG A 48 2.822 -1.952 12.266 ATOM 707 CB ARG A 48 3.235 -2.657 13.577 ATOM 725 C ARG A 48 2.611 -2.956 11.163 ATOM 726 O ARG A 48 3.544 -3.241 10.417 ATOM 727 N ARG A 49 1.375 -3.484 10.984 ATOM 729 CA ARG A 49 1.076 -4.382 9.884 ATOM 731 CB ARG A 49 -0.301 -5.075 9.998 ATOM 749 C ARG A 49 1.147 -3.672 8.550 ATOM 750 O ARG A 49 1.662 -4.226 7.581 ATOM 751 N ALA A 50 0.674 -2.403 8.479 ATOM 753 CA ALA A 50 0.759 -1.587 7.290 ATOM 755 CB ALA A 50 0.025 -0.251 7.493 ATOM 759 C ALA A 50 2.191 -1.301 6.899 ATOM 760 O ALA A 50 2.551 -1.416 5.730 ATOM 761 N LEU A 51 3.064 -0.975 7.880 ATOM 763 CA LEU A 51 4.471 -0.725 7.644 ATOM 765 CB LEU A 51 5.185 -0.163 8.897 ATOM 778 C LEU A 51 5.201 -1.965 7.185 ATOM 779 O LEU A 51 6.074 -1.879 6.325 ATOM 780 N THR A 52 4.838 -3.157 7.715 ATOM 782 CA THR A 52 5.427 -4.426 7.320 ATOM 784 CB THR A 52 4.990 -5.571 8.224 ATOM 792 C THR A 52 5.068 -4.747 5.886 ATOM 793 O THR A 52 5.925 -5.165 5.112 ATOM 794 N PHE A 53 3.801 -4.499 5.479 ATOM 796 CA PHE A 53 3.322 -4.681 4.123 ATOM 798 CB PHE A 53 1.788 -4.432 4.083 ATOM 812 C PHE A 53 4.070 -3.784 3.155 ATOM 813 O PHE A 53 4.510 -4.241 2.101 ATOM 814 N LEU A 54 4.287 -2.498 3.522 ATOM 816 CA LEU A 54 5.019 -1.556 2.701 ATOM 818 CB LEU A 54 5.009 -0.115 3.276 ATOM 831 C LEU A 54 6.454 -1.973 2.522 ATOM 832 O LEU A 54 6.968 -1.918 1.410 ATOM 833 N ARG A 55 7.126 -2.440 3.600 ATOM 835 CA ARG A 55 8.514 -2.839 3.537 ATOM 837 CB ARG A 55 9.145 -3.080 4.929 ATOM 855 C ARG A 55 8.687 -4.072 2.685 ATOM 856 O ARG A 55 9.625 -4.150 1.899 ATOM 857 N LYS A 56 7.763 -5.056 2.776 ATOM 859 CA LYS A 56 7.832 -6.247 1.956 ATOM 861 CB LYS A 56 6.893 -7.380 2.416 ATOM 877 C LYS A 56 7.607 -5.943 0.498 ATOM 878 O LYS A 56 8.270 -6.520 -0.357 ATOM 879 N ASN A 57 6.715 -4.982 0.172 ATOM 881 CA ASN A 57 6.506 -4.537 -1.192 ATOM 883 CB ASN A 57 5.293 -3.580 -1.307 ATOM 891 C ASN A 57 7.734 -3.838 -1.735 ATOM 892 O ASN A 57 8.111 -4.082 -2.876 ATOM 893 N GLU A 58 8.430 -3.006 -0.920 ATOM 895 CA GLU A 58 9.676 -2.367 -1.303 ATOM 897 CB GLU A 58 10.240 -1.421 -0.209 ATOM 906 C GLU A 58 10.752 -3.377 -1.599 ATOM 907 O GLU A 58 11.456 -3.249 -2.595 ATOM 908 N ASP A 59 10.877 -4.428 -0.757 ATOM 910 CA ASP A 59 11.875 -5.464 -0.904 ATOM 912 CB ASP A 59 11.841 -6.476 0.275 ATOM 918 C ASP A 59 11.646 -6.235 -2.180 ATOM 919 O ASP A 59 12.593 -6.510 -2.912 ATOM 920 N MET A 60 10.373 -6.564 -2.508 ATOM 922 CA MET A 60 10.051 -7.285 -3.719 ATOM 924 CB MET A 60 8.601 -7.823 -3.753 ATOM 935 C MET A 60 10.304 -6.455 -4.955 ATOM 936 O MET A 60 10.825 -6.972 -5.939 ATOM 937 N MET A 61 9.999 -5.135 -4.929 ATOM 939 CA MET A 61 10.274 -4.245 -6.045 ATOM 941 CB MET A 61 9.670 -2.836 -5.859 ATOM 952 C MET A 61 11.752 -4.098 -6.327 ATOM 953 O MET A 61 12.156 -4.043 -7.487 ATOM 954 N LEU A 62 12.602 -4.072 -5.274 ATOM 956 CA LEU A 62 14.042 -4.020 -5.428 ATOM 958 CB LEU A 62 14.752 -3.697 -4.090 ATOM 971 C LEU A 62 14.616 -5.297 -6.013 ATOM 972 O LEU A 62 15.576 -5.240 -6.779 ATOM 973 N LEU A 63 14.031 -6.481 -5.700 ATOM 975 CA LEU A 63 14.453 -7.742 -6.290 ATOM 977 CB LEU A 63 13.839 -8.979 -5.580 ATOM 990 C LEU A 63 14.086 -7.831 -7.760 ATOM 991 O LEU A 63 14.845 -8.381 -8.557 ATOM 992 N MET A 64 12.910 -7.286 -8.145 ATOM 994 CA MET A 64 12.410 -7.305 -9.504 ATOM 996 CB MET A 64 10.899 -6.957 -9.525 ATOM 1007 C MET A 64 13.168 -6.319 -10.439 ATOM 1008 O MET A 64 14.056 -5.544 -9.995 TER END

Sequence

MRKHGGHTEACRYAVMKALAITCALDSIARCTTSEQVSRQGEPEGPLRRALTFLRKNEDMMLLM

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