User input for job 639909

Modeling method CM only

• Superimpose partial threads before hybrid sampling.
• Sample fragments within template regions with probability 0.4.
• Sample 1 model.

Partial threads

wt: 1 >query GSSGSSGPDLEKRRIHYCDYPGCTKVYTKSSHLKAHLRTHTGEKPYKCTWEGCDWRFARSDELTRHYRKHTGAKPFQCGVCNRSFSRSDHLALHMKRHQN >2EBT GSSGSSGPDLEKRRIHYCDYPGCTKVYTKSSHLKAHLRTHTGEKPYKCTWEGCDWRFARSDELTRHYRKHTGAKPFQCGVCNRSFSRSDHLALHMKRHQN ATOM 1 N GLY A 1 1.112 3.012 46.236 1.00 0.00 N ATOM 2 CA GLY A 1 1.854 3.013 44.989 1.00 0.00 C ATOM 3 C GLY A 1 1.402 4.111 44.047 1.00 0.00 C ATOM 4 O GLY A 1 0.552 3.889 43.185 1.00 0.00 O ATOM 8 N SER A 2 1.972 5.301 44.211 1.00 0.00 N ATOM 9 CA SER A 2 1.619 6.440 43.372 1.00 0.00 C ATOM 10 C SER A 2 2.868 7.089 42.784 1.00 0.00 C ATOM 11 O SER A 2 2.888 7.479 41.617 1.00 0.00 O ATOM 12 CB SER A 2 0.827 7.470 44.180 1.00 0.00 C ATOM 19 N SER A 3 3.910 7.202 43.603 1.00 0.00 N ATOM 20 CA SER A 3 5.162 7.807 43.166 1.00 0.00 C ATOM 21 C SER A 3 5.826 6.963 42.082 1.00 0.00 C ATOM 22 O SER A 3 5.338 5.890 41.731 1.00 0.00 O ATOM 23 CB SER A 3 6.114 7.973 44.353 1.00 0.00 C ATOM 30 N GLY A 4 6.942 7.457 41.556 1.00 0.00 N ATOM 31 CA GLY A 4 7.655 6.736 40.518 1.00 0.00 C ATOM 32 C GLY A 4 9.092 7.197 40.374 1.00 0.00 C ATOM 33 O GLY A 4 9.495 8.192 40.975 1.00 0.00 O ATOM 37 N SER A 5 9.868 6.469 39.577 1.00 0.00 N ATOM 38 CA SER A 5 11.270 6.806 39.361 1.00 0.00 C ATOM 39 C SER A 5 11.888 5.903 38.297 1.00 0.00 C ATOM 40 O SER A 5 11.775 4.679 38.364 1.00 0.00 O ATOM 41 CB SER A 5 12.054 6.681 40.669 1.00 0.00 C ATOM 48 N SER A 6 12.540 6.517 37.315 1.00 0.00 N ATOM 49 CA SER A 6 13.172 5.771 36.233 1.00 0.00 C ATOM 50 C SER A 6 14.618 6.217 36.038 1.00 0.00 C ATOM 51 O SER A 6 15.070 7.182 36.654 1.00 0.00 O ATOM 52 CB SER A 6 12.389 5.956 34.932 1.00 0.00 C ATOM 59 N GLY A 7 15.339 5.507 35.176 1.00 0.00 N ATOM 60 CA GLY A 7 16.726 5.844 34.914 1.00 0.00 C ATOM 61 C GLY A 7 17.328 5.002 33.807 1.00 0.00 C ATOM 62 O GLY A 7 16.980 3.835 33.626 1.00 0.00 O ATOM 66 N PRO A 8 18.254 5.598 33.042 1.00 0.00 N ATOM 67 CA PRO A 8 18.925 4.914 31.932 1.00 0.00 C ATOM 68 C PRO A 8 19.881 3.828 32.414 1.00 0.00 C ATOM 69 O PRO A 8 19.897 3.481 33.596 1.00 0.00 O ATOM 70 CB PRO A 8 19.698 6.037 31.238 1.00 0.00 C ATOM 80 N ASP A 9 20.678 3.296 31.494 1.00 0.00 N ATOM 81 CA ASP A 9 21.639 2.251 31.826 1.00 0.00 C ATOM 82 C ASP A 9 22.854 2.317 30.905 1.00 0.00 C ATOM 83 O ASP A 9 22.884 3.101 29.955 1.00 0.00 O ATOM 84 CB ASP A 9 20.981 0.873 31.724 1.00 0.00 C ATOM 92 N LEU A 10 23.853 1.491 31.194 1.00 0.00 N ATOM 93 CA LEU A 10 25.072 1.457 30.392 1.00 0.00 C ATOM 94 C LEU A 10 25.701 0.067 30.418 1.00 0.00 C ATOM 95 O LEU A 10 25.539 -0.680 31.382 1.00 0.00 O ATOM 96 CB LEU A 10 26.074 2.492 30.907 1.00 0.00 C ATOM 111 N GLU A 11 26.420 -0.271 29.352 1.00 0.00 N ATOM 112 CA GLU A 11 27.074 -1.571 29.253 1.00 0.00 C ATOM 113 C GLU A 11 28.107 -1.576 28.131 1.00 0.00 C ATOM 114 O GLU A 11 28.107 -0.699 27.267 1.00 0.00 O ATOM 115 CB GLU A 11 26.038 -2.671 29.013 1.00 0.00 C ATOM 126 N LYS A 12 28.988 -2.570 28.150 1.00 0.00 N ATOM 127 CA LYS A 12 30.028 -2.692 27.135 1.00 0.00 C ATOM 128 C LYS A 12 29.487 -2.330 25.756 1.00 0.00 C ATOM 129 O LYS A 12 28.277 -2.348 25.529 1.00 0.00 O ATOM 130 CB LYS A 12 30.587 -4.117 27.117 1.00 0.00 C ATOM 148 N ARG A 13 30.390 -2.002 24.838 1.00 0.00 N ATOM 149 CA ARG A 13 30.003 -1.636 23.481 1.00 0.00 C ATOM 150 C ARG A 13 29.703 -2.878 22.647 1.00 0.00 C ATOM 151 O ARG A 13 30.615 -3.587 22.221 1.00 0.00 O ATOM 152 CB ARG A 13 31.110 -0.817 22.815 1.00 0.00 C ATOM 172 N ARG A 14 28.419 -3.136 22.420 1.00 0.00 N ATOM 173 CA ARG A 14 27.999 -4.293 21.639 1.00 0.00 C ATOM 174 C ARG A 14 27.254 -3.858 20.380 1.00 0.00 C ATOM 175 O ARG A 14 26.922 -2.683 20.218 1.00 0.00 O ATOM 176 CB ARG A 14 27.107 -5.207 22.482 1.00 0.00 C ATOM 196 N ILE A 15 26.994 -4.812 19.493 1.00 0.00 N ATOM 197 CA ILE A 15 26.288 -4.527 18.250 1.00 0.00 C ATOM 198 C ILE A 15 24.778 -4.614 18.443 1.00 0.00 C ATOM 199 O ILE A 15 24.252 -5.649 18.852 1.00 0.00 O ATOM 200 CB ILE A 15 26.707 -5.498 17.130 1.00 0.00 C ATOM 215 N HIS A 16 24.086 -3.519 18.144 1.00 0.00 N ATOM 216 CA HIS A 16 22.634 -3.471 18.283 1.00 0.00 C ATOM 217 C HIS A 16 21.951 -3.815 16.963 1.00 0.00 C ATOM 218 O HIS A 16 22.293 -3.267 15.914 1.00 0.00 O ATOM 219 CB HIS A 16 22.191 -2.086 18.754 1.00 0.00 C ATOM 232 N TYR A 17 20.985 -4.725 17.021 1.00 0.00 N ATOM 233 CA TYR A 17 20.256 -5.144 15.830 1.00 0.00 C ATOM 234 C TYR A 17 18.828 -4.609 15.849 1.00 0.00 C ATOM 235 O TYR A 17 18.073 -4.852 16.791 1.00 0.00 O ATOM 236 CB TYR A 17 20.240 -6.670 15.727 1.00 0.00 C ATOM 253 N CYS A 18 18.463 -3.878 14.801 1.00 0.00 N ATOM 254 CA CYS A 18 17.126 -3.307 14.694 1.00 0.00 C ATOM 255 C CYS A 18 16.059 -4.372 14.936 1.00 0.00 C ATOM 256 O CYS A 18 16.049 -5.415 14.282 1.00 0.00 O ATOM 257 CB CYS A 18 16.927 -2.674 13.316 1.00 0.00 C ATOM 263 N ASP A 19 15.163 -4.100 15.878 1.00 0.00 N ATOM 264 CA ASP A 19 14.091 -5.033 16.205 1.00 0.00 C ATOM 265 C ASP A 19 12.932 -4.896 15.222 1.00 0.00 C ATOM 266 O ASP A 19 11.765 -4.927 15.614 1.00 0.00 O ATOM 267 CB ASP A 19 13.596 -4.794 17.633 1.00 0.00 C ATOM 275 N TYR A 20 13.262 -4.743 13.945 1.00 0.00 N ATOM 276 CA TYR A 20 12.249 -4.597 12.906 1.00 0.00 C ATOM 277 C TYR A 20 12.347 -5.728 11.887 1.00 0.00 C ATOM 278 O TYR A 20 13.434 -6.153 11.496 1.00 0.00 O ATOM 279 CB TYR A 20 12.400 -3.247 12.203 1.00 0.00 C ATOM 296 N PRO A 21 11.183 -6.227 11.445 1.00 0.00 N ATOM 297 CA PRO A 21 11.110 -7.315 10.465 1.00 0.00 C ATOM 298 C PRO A 21 11.560 -6.874 9.076 1.00 0.00 C ATOM 299 O PRO A 21 11.111 -5.851 8.562 1.00 0.00 O ATOM 300 CB PRO A 21 9.624 -7.682 10.453 1.00 0.00 C ATOM 310 N GLY A 22 12.451 -7.655 8.472 1.00 0.00 N ATOM 311 CA GLY A 22 12.948 -7.329 7.148 1.00 0.00 C ATOM 312 C GLY A 22 14.160 -6.420 7.191 1.00 0.00 C ATOM 313 O GLY A 22 15.150 -6.661 6.500 1.00 0.00 O ATOM 317 N CYS A 23 14.082 -5.371 8.003 1.00 0.00 N ATOM 318 CA CYS A 23 15.180 -4.420 8.132 1.00 0.00 C ATOM 319 C CYS A 23 16.496 -5.143 8.401 1.00 0.00 C ATOM 320 O CYS A 23 16.546 -6.100 9.176 1.00 0.00 O ATOM 321 CB CYS A 23 14.891 -3.426 9.258 1.00 0.00 C ATOM 327 N THR A 24 17.563 -4.679 7.757 1.00 0.00 N ATOM 328 CA THR A 24 18.879 -5.281 7.926 1.00 0.00 C ATOM 329 C THR A 24 19.921 -4.230 8.292 1.00 0.00 C ATOM 330 O THR A 24 21.078 -4.317 7.878 1.00 0.00 O ATOM 331 CB THR A 24 19.331 -6.012 6.647 1.00 0.00 C ATOM 341 N LYS A 25 19.505 -3.238 9.071 1.00 0.00 N ATOM 342 CA LYS A 25 20.403 -2.170 9.496 1.00 0.00 C ATOM 343 C LYS A 25 20.799 -2.342 10.959 1.00 0.00 C ATOM 344 O LYS A 25 19.960 -2.639 11.809 1.00 0.00 O ATOM 345 CB LYS A 25 19.738 -0.807 9.294 1.00 0.00 C ATOM 363 N VAL A 26 22.083 -2.152 11.246 1.00 0.00 N ATOM 364 CA VAL A 26 22.590 -2.284 12.606 1.00 0.00 C ATOM 365 C VAL A 26 23.512 -1.123 12.964 1.00 0.00 C ATOM 366 O VAL A 26 24.015 -0.422 12.085 1.00 0.00 O ATOM 367 CB VAL A 26 23.354 -3.608 12.795 1.00 0.00 C ATOM 379 N TYR A 27 23.729 -0.926 14.259 1.00 0.00 N ATOM 380 CA TYR A 27 24.589 0.152 14.734 1.00 0.00 C ATOM 381 C TYR A 27 25.101 -0.140 16.142 1.00 0.00 C ATOM 382 O TYR A 27 24.363 -0.634 16.995 1.00 0.00 O ATOM 383 CB TYR A 27 23.832 1.481 14.720 1.00 0.00 C ATOM 400 N THR A 28 26.372 0.170 16.378 1.00 0.00 N ATOM 401 CA THR A 28 26.985 -0.058 17.681 1.00 0.00 C ATOM 402 C THR A 28 26.729 1.114 18.622 1.00 0.00 C ATOM 403 O THR A 28 27.579 1.463 19.441 1.00 0.00 O ATOM 404 CB THR A 28 28.504 -0.279 17.556 1.00 0.00 C ATOM 414 N LYS A 29 25.552 1.717 18.501 1.00 0.00 N ATOM 415 CA LYS A 29 25.182 2.850 19.342 1.00 0.00 C ATOM 416 C LYS A 29 23.699 2.803 19.695 1.00 0.00 C ATOM 417 O LYS A 29 22.866 2.425 18.871 1.00 0.00 O ATOM 418 CB LYS A 29 25.506 4.166 18.632 1.00 0.00 C ATOM 436 N SER A 30 23.375 3.191 20.925 1.00 0.00 N ATOM 437 CA SER A 30 21.993 3.191 21.388 1.00 0.00 C ATOM 438 C SER A 30 21.284 4.480 20.982 1.00 0.00 C ATOM 439 O SER A 30 20.056 4.530 20.910 1.00 0.00 O ATOM 440 CB SER A 30 21.941 3.024 22.908 1.00 0.00 C ATOM 447 N SER A 31 22.068 5.521 20.719 1.00 0.00 N ATOM 448 CA SER A 31 21.516 6.812 20.324 1.00 0.00 C ATOM 449 C SER A 31 21.240 6.849 18.824 1.00 0.00 C ATOM 450 O SER A 31 20.202 7.346 18.385 1.00 0.00 O ATOM 451 CB SER A 31 22.479 7.939 20.705 1.00 0.00 C ATOM 458 N HIS A 32 22.175 6.319 18.043 1.00 0.00 N ATOM 459 CA HIS A 32 22.033 6.290 16.592 1.00 0.00 C ATOM 460 C HIS A 32 20.861 5.406 16.178 1.00 0.00 C ATOM 461 O HIS A 32 20.107 5.743 15.264 1.00 0.00 O ATOM 462 CB HIS A 32 23.322 5.785 15.942 1.00 0.00 C ATOM 475 N LEU A 33 20.712 4.273 16.856 1.00 0.00 N ATOM 476 CA LEU A 33 19.632 3.339 16.559 1.00 0.00 C ATOM 477 C LEU A 33 18.272 4.010 16.725 1.00 0.00 C ATOM 478 O LEU A 33 17.462 4.034 15.798 1.00 0.00 O ATOM 479 CB LEU A 33 19.724 2.115 17.471 1.00 0.00 C ATOM 494 N LYS A 34 18.028 4.555 17.912 1.00 0.00 N ATOM 495 CA LYS A 34 16.767 5.230 18.200 1.00 0.00 C ATOM 496 C LYS A 34 16.386 6.177 17.067 1.00 0.00 C ATOM 497 O LYS A 34 15.221 6.257 16.678 1.00 0.00 O ATOM 498 CB LYS A 34 16.870 6.006 19.515 1.00 0.00 C ATOM 516 N ALA A 35 17.375 6.891 16.540 1.00 0.00 N ATOM 517 CA ALA A 35 17.143 7.829 15.449 1.00 0.00 C ATOM 518 C ALA A 35 16.690 7.103 14.187 1.00 0.00 C ATOM 519 O ALA A 35 15.845 7.601 13.442 1.00 0.00 O ATOM 520 CB ALA A 35 18.402 8.638 15.171 1.00 0.00 C ATOM 526 N HIS A 36 17.255 5.923 13.953 1.00 0.00 N ATOM 527 CA HIS A 36 16.909 5.128 12.780 1.00 0.00 C ATOM 528 C HIS A 36 15.473 4.619 12.874 1.00 0.00 C ATOM 529 O HIS A 36 14.693 4.753 11.931 1.00 0.00 O ATOM 530 CB HIS A 36 17.872 3.950 12.634 1.00 0.00 C ATOM 543 N LEU A 37 15.132 4.034 14.017 1.00 0.00 N ATOM 544 CA LEU A 37 13.791 3.504 14.234 1.00 0.00 C ATOM 545 C LEU A 37 12.730 4.526 13.837 1.00 0.00 C ATOM 546 O LEU A 37 11.674 4.168 13.316 1.00 0.00 O ATOM 547 CB LEU A 37 13.609 3.108 15.701 1.00 0.00 C ATOM 562 N ARG A 38 13.020 5.799 14.084 1.00 0.00 N ATOM 563 CA ARG A 38 12.092 6.873 13.751 1.00 0.00 C ATOM 564 C ARG A 38 11.498 6.666 12.361 1.00 0.00 C ATOM 565 O ARG A 38 10.353 7.039 12.101 1.00 0.00 O ATOM 566 CB ARG A 38 12.800 8.227 13.819 1.00 0.00 C ATOM 586 N THR A 39 12.284 6.070 11.470 1.00 0.00 N ATOM 587 CA THR A 39 11.837 5.815 10.106 1.00 0.00 C ATOM 588 C THR A 39 10.749 4.749 10.074 1.00 0.00 C ATOM 589 O THR A 39 9.773 4.865 9.332 1.00 0.00 O ATOM 590 CB THR A 39 13.005 5.368 9.207 1.00 0.00 C ATOM 600 N HIS A 40 10.921 3.709 10.884 1.00 0.00 N ATOM 601 CA HIS A 40 9.952 2.621 10.949 1.00 0.00 C ATOM 602 C HIS A 40 8.642 3.097 11.571 1.00 0.00 C ATOM 603 O HIS A 40 7.557 2.744 11.106 1.00 0.00 O ATOM 604 CB HIS A 40 10.518 1.453 11.757 1.00 0.00 C ATOM 617 N THR A 41 8.750 3.901 12.624 1.00 0.00 N ATOM 618 CA THR A 41 7.576 4.423 13.310 1.00 0.00 C ATOM 619 C THR A 41 7.105 5.728 12.678 1.00 0.00 C ATOM 620 O THR A 41 7.874 6.680 12.549 1.00 0.00 O ATOM 621 CB THR A 41 7.858 4.663 14.806 1.00 0.00 C ATOM 631 N GLY A 42 5.835 5.767 12.286 1.00 0.00 N ATOM 632 CA GLY A 42 5.284 6.961 11.672 1.00 0.00 C ATOM 633 C GLY A 42 3.793 6.849 11.423 1.00 0.00 C ATOM 634 O GLY A 42 3.036 6.460 12.312 1.00 0.00 O ATOM 638 N GLU A 43 3.370 7.191 10.210 1.00 0.00 N ATOM 639 CA GLU A 43 1.958 7.130 9.849 1.00 0.00 C ATOM 640 C GLU A 43 1.765 7.418 8.363 1.00 0.00 C ATOM 641 O GLU A 43 2.358 8.348 7.816 1.00 0.00 O ATOM 642 CB GLU A 43 1.151 8.127 10.682 1.00 0.00 C ATOM 653 N LYS A 44 0.930 6.612 7.714 1.00 0.00 N ATOM 654 CA LYS A 44 0.656 6.779 6.292 1.00 0.00 C ATOM 655 C LYS A 44 -0.842 6.710 6.015 1.00 0.00 C ATOM 656 O LYS A 44 -1.376 5.678 5.609 1.00 0.00 O ATOM 657 CB LYS A 44 1.385 5.704 5.481 1.00 0.00 C ATOM 675 N PRO A 45 -1.538 7.835 6.237 1.00 0.00 N ATOM 676 CA PRO A 45 -2.984 7.928 6.016 1.00 0.00 C ATOM 677 C PRO A 45 -3.349 7.878 4.536 1.00 0.00 C ATOM 678 O PRO A 45 -4.345 7.265 4.152 1.00 0.00 O ATOM 679 CB PRO A 45 -3.347 9.291 6.610 1.00 0.00 C ATOM 689 N TYR A 46 -2.536 8.527 3.709 1.00 0.00 N ATOM 690 CA TYR A 46 -2.775 8.558 2.271 1.00 0.00 C ATOM 691 C TYR A 46 -2.606 7.170 1.661 1.00 0.00 C ATOM 692 O TYR A 46 -1.530 6.575 1.727 1.00 0.00 O ATOM 693 CB TYR A 46 -1.819 9.544 1.596 1.00 0.00 C ATOM 710 N LYS A 47 -3.679 6.659 1.065 1.00 0.00 N ATOM 711 CA LYS A 47 -3.652 5.342 0.440 1.00 0.00 C ATOM 712 C LYS A 47 -3.998 5.437 -1.043 1.00 0.00 C ATOM 713 O LYS A 47 -4.883 6.196 -1.437 1.00 0.00 O ATOM 714 CB LYS A 47 -4.633 4.401 1.144 1.00 0.00 C ATOM 732 N CYS A 48 -3.295 4.660 -1.860 1.00 0.00 N ATOM 733 CA CYS A 48 -3.527 4.655 -3.299 1.00 0.00 C ATOM 734 C CYS A 48 -4.851 3.974 -3.634 1.00 0.00 C ATOM 735 O CYS A 48 -4.979 2.754 -3.531 1.00 0.00 O ATOM 736 CB CYS A 48 -2.380 3.945 -4.020 1.00 0.00 C ATOM 742 N THR A 49 -5.836 4.772 -4.036 1.00 0.00 N ATOM 743 CA THR A 49 -7.150 4.249 -4.385 1.00 0.00 C ATOM 744 C THR A 49 -7.156 3.673 -5.796 1.00 0.00 C ATOM 745 O THR A 49 -8.042 3.974 -6.596 1.00 0.00 O ATOM 746 CB THR A 49 -8.234 5.338 -4.283 1.00 0.00 C ATOM 756 N TRP A 50 -6.162 2.844 -6.095 1.00 0.00 N ATOM 757 CA TRP A 50 -6.054 2.225 -7.412 1.00 0.00 C ATOM 758 C TRP A 50 -6.427 0.748 -7.352 1.00 0.00 C ATOM 759 O TRP A 50 -6.421 0.141 -6.281 1.00 0.00 O ATOM 760 CB TRP A 50 -4.633 2.383 -7.956 1.00 0.00 C ATOM 780 N GLU A 51 -6.751 0.176 -8.507 1.00 0.00 N ATOM 781 CA GLU A 51 -7.128 -1.230 -8.584 1.00 0.00 C ATOM 782 C GLU A 51 -5.903 -2.130 -8.449 1.00 0.00 C ATOM 783 O GLU A 51 -5.015 -2.121 -9.301 1.00 0.00 O ATOM 784 CB GLU A 51 -7.843 -1.519 -9.905 1.00 0.00 C ATOM 795 N GLY A 52 -5.862 -2.906 -7.370 1.00 0.00 N ATOM 796 CA GLY A 52 -4.742 -3.800 -7.142 1.00 0.00 C ATOM 797 C GLY A 52 -3.720 -3.217 -6.186 1.00 0.00 C ATOM 798 O GLY A 52 -3.252 -3.899 -5.273 1.00 0.00 O ATOM 802 N CYS A 53 -3.371 -1.952 -6.395 1.00 0.00 N ATOM 803 CA CYS A 53 -2.396 -1.277 -5.547 1.00 0.00 C ATOM 804 C CYS A 53 -2.897 -1.187 -4.108 1.00 0.00 C ATOM 805 O CYS A 53 -4.035 -0.789 -3.860 1.00 0.00 O ATOM 806 CB CYS A 53 -2.104 0.125 -6.085 1.00 0.00 C ATOM 812 N ASP A 54 -2.039 -1.559 -3.164 1.00 0.00 N ATOM 813 CA ASP A 54 -2.393 -1.519 -1.750 1.00 0.00 C ATOM 814 C ASP A 54 -1.304 -0.827 -0.937 1.00 0.00 C ATOM 815 O ASP A 54 -1.079 -1.159 0.227 1.00 0.00 O ATOM 816 CB ASP A 54 -2.621 -2.935 -1.220 1.00 0.00 C ATOM 824 N TRP A 55 -0.630 0.135 -1.557 1.00 0.00 N ATOM 825 CA TRP A 55 0.437 0.873 -0.891 1.00 0.00 C ATOM 826 C TRP A 55 -0.109 2.123 -0.210 1.00 0.00 C ATOM 827 O TRP A 55 -1.275 2.477 -0.385 1.00 0.00 O ATOM 828 CB TRP A 55 1.524 1.258 -1.896 1.00 0.00 C ATOM 848 N ARG A 56 0.740 2.788 0.566 1.00 0.00 N ATOM 849 CA ARG A 56 0.341 3.999 1.273 1.00 0.00 C ATOM 850 C ARG A 56 1.516 4.964 1.404 1.00 0.00 C ATOM 851 O ARG A 56 2.676 4.555 1.370 1.00 0.00 O ATOM 852 CB ARG A 56 -0.202 3.650 2.660 1.00 0.00 C ATOM 872 N PHE A 57 1.206 6.248 1.554 1.00 0.00 N ATOM 873 CA PHE A 57 2.236 7.272 1.688 1.00 0.00 C ATOM 874 C PHE A 57 1.903 8.232 2.826 1.00 0.00 C ATOM 875 O PHE A 57 0.796 8.213 3.365 1.00 0.00 O ATOM 876 CB PHE A 57 2.387 8.048 0.378 1.00 0.00 C ATOM 892 N ALA A 58 2.868 9.071 3.187 1.00 0.00 N ATOM 893 CA ALA A 58 2.678 10.040 4.259 1.00 0.00 C ATOM 894 C ALA A 58 2.479 11.445 3.701 1.00 0.00 C ATOM 895 O ALA A 58 1.616 12.191 4.165 1.00 0.00 O ATOM 896 CB ALA A 58 3.863 10.012 5.212 1.00 0.00 C ATOM 902 N ARG A 59 3.281 11.799 2.702 1.00 0.00 N ATOM 903 CA ARG A 59 3.194 13.115 2.082 1.00 0.00 C ATOM 904 C ARG A 59 2.199 13.107 0.925 1.00 0.00 C ATOM 905 O ARG A 59 2.222 12.212 0.080 1.00 0.00 O ATOM 906 CB ARG A 59 4.570 13.560 1.582 1.00 0.00 C ATOM 926 N SER A 60 1.326 14.108 0.895 1.00 0.00 N ATOM 927 CA SER A 60 0.319 14.213 -0.155 1.00 0.00 C ATOM 928 C SER A 60 0.974 14.249 -1.533 1.00 0.00 C ATOM 929 O SER A 60 0.574 13.520 -2.441 1.00 0.00 O ATOM 930 CB SER A 60 -0.533 15.467 0.049 1.00 0.00 C ATOM 937 N ASP A 61 1.982 15.101 -1.680 1.00 0.00 N ATOM 938 CA ASP A 61 2.694 15.232 -2.946 1.00 0.00 C ATOM 939 C ASP A 61 3.288 13.895 -3.376 1.00 0.00 C ATOM 940 O ASP A 61 3.204 13.515 -4.544 1.00 0.00 O ATOM 941 CB ASP A 61 3.801 16.281 -2.827 1.00 0.00 C ATOM 949 N GLU A 62 3.890 13.186 -2.425 1.00 0.00 N ATOM 950 CA GLU A 62 4.499 11.892 -2.707 1.00 0.00 C ATOM 951 C GLU A 62 3.526 10.983 -3.453 1.00 0.00 C ATOM 952 O GLU A 62 3.859 10.422 -4.498 1.00 0.00 O ATOM 953 CB GLU A 62 4.948 11.221 -1.408 1.00 0.00 C ATOM 964 N LEU A 63 2.323 10.842 -2.908 1.00 0.00 N ATOM 965 CA LEU A 63 1.300 10.000 -3.519 1.00 0.00 C ATOM 966 C LEU A 63 0.976 10.477 -4.932 1.00 0.00 C ATOM 967 O LEU A 63 1.102 9.724 -5.898 1.00 0.00 O ATOM 968 CB LEU A 63 0.032 10.003 -2.664 1.00 0.00 C ATOM 983 N THR A 64 0.559 11.734 -5.045 1.00 0.00 N ATOM 984 CA THR A 64 0.218 12.312 -6.339 1.00 0.00 C ATOM 985 C THR A 64 1.167 11.823 -7.427 1.00 0.00 C ATOM 986 O THR A 64 0.733 11.306 -8.456 1.00 0.00 O ATOM 987 CB THR A 64 0.256 13.852 -6.294 1.00 0.00 C ATOM 997 N ARG A 65 2.465 11.990 -7.193 1.00 0.00 N ATOM 998 CA ARG A 65 3.475 11.566 -8.154 1.00 0.00 C ATOM 999 C ARG A 65 3.363 10.071 -8.437 1.00 0.00 C ATOM 1000 O ARG A 65 3.345 9.646 -9.593 1.00 0.00 O ATOM 1001 CB ARG A 65 4.876 11.893 -7.632 1.00 0.00 C ATOM 1021 N HIS A 66 3.288 9.277 -7.373 1.00 0.00 N ATOM 1022 CA HIS A 66 3.177 7.828 -7.507 1.00 0.00 C ATOM 1023 C HIS A 66 1.982 7.453 -8.379 1.00 0.00 C ATOM 1024 O HIS A 66 2.094 6.615 -9.274 1.00 0.00 O ATOM 1025 CB HIS A 66 3.044 7.177 -6.131 1.00 0.00 C ATOM 1038 N TYR A 67 0.841 8.077 -8.110 1.00 0.00 N ATOM 1039 CA TYR A 67 -0.375 7.807 -8.868 1.00 0.00 C ATOM 1040 C TYR A 67 -0.130 7.963 -10.366 1.00 0.00 C ATOM 1041 O TYR A 67 -0.674 7.213 -11.176 1.00 0.00 O ATOM 1042 CB TYR A 67 -1.498 8.745 -8.423 1.00 0.00 C ATOM 1059 N ARG A 68 0.693 8.942 -10.725 1.00 0.00 N ATOM 1060 CA ARG A 68 1.011 9.199 -12.124 1.00 0.00 C ATOM 1061 C ARG A 68 1.382 7.905 -12.843 1.00 0.00 C ATOM 1062 O ARG A 68 0.962 7.669 -13.977 1.00 0.00 O ATOM 1063 CB ARG A 68 2.161 10.202 -12.233 1.00 0.00 C ATOM 1083 N LYS A 69 2.171 7.069 -12.177 1.00 0.00 N ATOM 1084 CA LYS A 69 2.599 5.798 -12.751 1.00 0.00 C ATOM 1085 C LYS A 69 1.405 5.014 -13.287 1.00 0.00 C ATOM 1086 O LYS A 69 1.477 4.409 -14.357 1.00 0.00 O ATOM 1087 CB LYS A 69 3.340 4.966 -11.703 1.00 0.00 C ATOM 1105 N HIS A 70 0.307 5.031 -12.537 1.00 0.00 N ATOM 1106 CA HIS A 70 -0.903 4.323 -12.939 1.00 0.00 C ATOM 1107 C HIS A 70 -1.600 5.045 -14.088 1.00 0.00 C ATOM 1108 O HIS A 70 -2.081 4.416 -15.031 1.00 0.00 O ATOM 1109 CB HIS A 70 -1.858 4.189 -11.752 1.00 0.00 C ATOM 1122 N THR A 71 -1.650 6.371 -14.004 1.00 0.00 N ATOM 1123 CA THR A 71 -2.289 7.179 -15.035 1.00 0.00 C ATOM 1124 C THR A 71 -1.322 7.482 -16.173 1.00 0.00 C ATOM 1125 O THR A 71 -1.440 8.506 -16.846 1.00 0.00 O ATOM 1126 CB THR A 71 -2.819 8.506 -14.460 1.00 0.00 C ATOM 1136 N GLY A 72 -0.364 6.584 -16.385 1.00 0.00 N ATOM 1137 CA GLY A 72 0.610 6.774 -17.444 1.00 0.00 C ATOM 1138 C GLY A 72 0.974 5.476 -18.136 1.00 0.00 C ATOM 1139 O GLY A 72 0.208 4.962 -18.951 1.00 0.00 O ATOM 1143 N ALA A 73 2.149 4.944 -17.813 1.00 0.00 N ATOM 1144 CA ALA A 73 2.613 3.698 -18.409 1.00 0.00 C ATOM 1145 C ALA A 73 2.545 2.551 -17.406 1.00 0.00 C ATOM 1146 O ALA A 73 2.594 2.768 -16.195 1.00 0.00 O ATOM 1147 CB ALA A 73 4.032 3.860 -18.933 1.00 0.00 C ATOM 1153 N LYS A 74 2.432 1.330 -17.918 1.00 0.00 N ATOM 1154 CA LYS A 74 2.358 0.148 -17.068 1.00 0.00 C ATOM 1155 C LYS A 74 3.378 -0.900 -17.503 1.00 0.00 C ATOM 1156 O LYS A 74 3.555 -1.174 -18.690 1.00 0.00 O ATOM 1157 CB LYS A 74 0.949 -0.448 -17.109 1.00 0.00 C ATOM 1175 N PRO A 75 4.065 -1.502 -16.521 1.00 0.00 N ATOM 1176 CA PRO A 75 5.077 -2.531 -16.778 1.00 0.00 C ATOM 1177 C PRO A 75 4.465 -3.833 -17.282 1.00 0.00 C ATOM 1178 O PRO A 75 5.169 -4.819 -17.498 1.00 0.00 O ATOM 1179 CB PRO A 75 5.727 -2.740 -15.408 1.00 0.00 C ATOM 1189 N PHE A 76 3.149 -3.830 -17.467 1.00 0.00 N ATOM 1190 CA PHE A 76 2.441 -5.013 -17.945 1.00 0.00 C ATOM 1191 C PHE A 76 1.290 -4.622 -18.867 1.00 0.00 C ATOM 1192 O PHE A 76 0.312 -4.016 -18.432 1.00 0.00 O ATOM 1193 CB PHE A 76 1.909 -5.827 -16.763 1.00 0.00 C ATOM 1209 N GLN A 77 1.416 -4.974 -20.142 1.00 0.00 N ATOM 1210 CA GLN A 77 0.388 -4.659 -21.126 1.00 0.00 C ATOM 1211 C GLN A 77 0.143 -5.842 -22.057 1.00 0.00 C ATOM 1212 O GLN A 77 1.082 -6.410 -22.616 1.00 0.00 O ATOM 1213 CB GLN A 77 0.791 -3.429 -21.942 1.00 0.00 C ATOM 1226 N CYS A 78 -1.123 -6.210 -22.218 1.00 0.00 N ATOM 1227 CA CYS A 78 -1.492 -7.327 -23.080 1.00 0.00 C ATOM 1228 C CYS A 78 -1.256 -6.982 -24.548 1.00 0.00 C ATOM 1229 O CYS A 78 -0.878 -5.859 -24.880 1.00 0.00 O ATOM 1230 CB CYS A 78 -2.959 -7.703 -22.863 1.00 0.00 C ATOM 1236 N GLY A 79 -1.481 -7.958 -25.423 1.00 0.00 N ATOM 1237 CA GLY A 79 -1.288 -7.738 -26.844 1.00 0.00 C ATOM 1238 C GLY A 79 -2.599 -7.595 -27.592 1.00 0.00 C ATOM 1239 O GLY A 79 -2.830 -6.593 -28.268 1.00 0.00 O ATOM 1243 N VAL A 80 -3.460 -8.601 -27.473 1.00 0.00 N ATOM 1244 CA VAL A 80 -4.754 -8.583 -28.143 1.00 0.00 C ATOM 1245 C VAL A 80 -5.606 -7.414 -27.662 1.00 0.00 C ATOM 1246 O VAL A 80 -5.876 -6.477 -28.415 1.00 0.00 O ATOM 1247 CB VAL A 80 -5.525 -9.896 -27.910 1.00 0.00 C ATOM 1259 N CYS A 81 -6.027 -7.474 -26.404 1.00 0.00 N ATOM 1260 CA CYS A 81 -6.849 -6.421 -25.820 1.00 0.00 C ATOM 1261 C CYS A 81 -6.038 -5.143 -25.624 1.00 0.00 C ATOM 1262 O CYS A 81 -6.591 -4.046 -25.570 1.00 0.00 O ATOM 1263 CB CYS A 81 -7.429 -6.880 -24.481 1.00 0.00 C ATOM 1269 N ASN A 82 -4.721 -5.295 -25.520 1.00 0.00 N ATOM 1270 CA ASN A 82 -3.833 -4.155 -25.329 1.00 0.00 C ATOM 1271 C ASN A 82 -4.187 -3.396 -24.054 1.00 0.00 C ATOM 1272 O ASN A 82 -4.144 -2.166 -24.019 1.00 0.00 O ATOM 1273 CB ASN A 82 -3.911 -3.214 -26.534 1.00 0.00 C ATOM 1283 N ARG A 83 -4.536 -4.138 -23.008 1.00 0.00 N ATOM 1284 CA ARG A 83 -4.898 -3.536 -21.731 1.00 0.00 C ATOM 1285 C ARG A 83 -3.679 -3.421 -20.819 1.00 0.00 C ATOM 1286 O ARG A 83 -2.578 -3.832 -21.184 1.00 0.00 O ATOM 1287 CB ARG A 83 -5.986 -4.363 -21.043 1.00 0.00 C ATOM 1307 N SER A 84 -3.885 -2.858 -19.633 1.00 0.00 N ATOM 1308 CA SER A 84 -2.803 -2.684 -18.671 1.00 0.00 C ATOM 1309 C SER A 84 -3.115 -3.410 -17.366 1.00 0.00 C ATOM 1310 O SER A 84 -4.269 -3.481 -16.942 1.00 0.00 O ATOM 1311 CB SER A 84 -2.569 -1.197 -18.398 1.00 0.00 C ATOM 1318 N PHE A 85 -2.077 -3.947 -16.732 1.00 0.00 N ATOM 1319 CA PHE A 85 -2.239 -4.669 -15.476 1.00 0.00 C ATOM 1320 C PHE A 85 -1.164 -4.260 -14.472 1.00 0.00 C ATOM 1321 O PHE A 85 -0.107 -3.756 -14.850 1.00 0.00 O ATOM 1322 CB PHE A 85 -2.179 -6.178 -15.718 1.00 0.00 C ATOM 1338 N SER A 86 -1.444 -4.482 -13.192 1.00 0.00 N ATOM 1339 CA SER A 86 -0.504 -4.134 -12.133 1.00 0.00 C ATOM 1340 C SER A 86 0.464 -5.283 -11.865 1.00 0.00 C ATOM 1341 O SER A 86 1.673 -5.078 -11.761 1.00 0.00 O ATOM 1342 CB SER A 86 -1.258 -3.778 -10.850 1.00 0.00 C ATOM 1349 N ARG A 87 -0.078 -6.491 -11.756 1.00 0.00 N ATOM 1350 CA ARG A 87 0.736 -7.673 -11.499 1.00 0.00 C ATOM 1351 C ARG A 87 1.009 -8.436 -12.793 1.00 0.00 C ATOM 1352 O ARG A 87 0.278 -8.297 -13.773 1.00 0.00 O ATOM 1353 CB ARG A 87 0.039 -8.589 -10.492 1.00 0.00 C ATOM 1373 N SER A 88 2.066 -9.241 -12.786 1.00 0.00 N ATOM 1374 CA SER A 88 2.439 -10.023 -13.960 1.00 0.00 C ATOM 1375 C SER A 88 1.569 -11.270 -14.080 1.00 0.00 C ATOM 1376 O SER A 88 0.940 -11.505 -15.112 1.00 0.00 O ATOM 1377 CB SER A 88 3.914 -10.421 -13.886 1.00 0.00 C ATOM 1384 N ASP A 89 1.538 -12.067 -13.017 1.00 0.00 N ATOM 1385 CA ASP A 89 0.745 -13.291 -13.002 1.00 0.00 C ATOM 1386 C ASP A 89 -0.629 -13.056 -13.622 1.00 0.00 C ATOM 1387 O ASP A 89 -1.112 -13.868 -14.412 1.00 0.00 O ATOM 1388 CB ASP A 89 0.590 -13.805 -11.570 1.00 0.00 C ATOM 1396 N HIS A 90 -1.254 -11.940 -13.260 1.00 0.00 N ATOM 1397 CA HIS A 90 -2.573 -11.598 -13.781 1.00 0.00 C ATOM 1398 C HIS A 90 -2.565 -11.576 -15.306 1.00 0.00 C ATOM 1399 O HIS A 90 -3.450 -12.142 -15.950 1.00 0.00 O ATOM 1400 CB HIS A 90 -3.021 -10.239 -13.242 1.00 0.00 C ATOM 1413 N LEU A 91 -1.562 -10.920 -15.879 1.00 0.00 N ATOM 1414 CA LEU A 91 -1.440 -10.824 -17.329 1.00 0.00 C ATOM 1415 C LEU A 91 -1.297 -12.207 -17.957 1.00 0.00 C ATOM 1416 O LEU A 91 -2.027 -12.557 -18.884 1.00 0.00 O ATOM 1417 CB LEU A 91 -0.237 -9.956 -17.703 1.00 0.00 C ATOM 1432 N ALA A 92 -0.354 -12.990 -17.443 1.00 0.00 N ATOM 1433 CA ALA A 92 -0.119 -14.336 -17.950 1.00 0.00 C ATOM 1434 C ALA A 92 -1.403 -15.158 -17.943 1.00 0.00 C ATOM 1435 O ALA A 92 -1.817 -15.692 -18.972 1.00 0.00 O ATOM 1436 CB ALA A 92 0.958 -15.029 -17.128 1.00 0.00 C ATOM 1442 N LEU A 93 -2.031 -15.255 -16.776 1.00 0.00 N ATOM 1443 CA LEU A 93 -3.269 -16.013 -16.634 1.00 0.00 C ATOM 1444 C LEU A 93 -4.383 -15.398 -17.475 1.00 0.00 C ATOM 1445 O LEU A 93 -5.216 -16.110 -18.038 1.00 0.00 O ATOM 1446 CB LEU A 93 -3.693 -16.065 -15.165 1.00 0.00 C ATOM 1461 N HIS A 94 -4.392 -14.071 -17.558 1.00 0.00 N ATOM 1462 CA HIS A 94 -5.402 -13.360 -18.333 1.00 0.00 C ATOM 1463 C HIS A 94 -5.468 -13.895 -19.760 1.00 0.00 C ATOM 1464 O HIS A 94 -6.545 -14.203 -20.268 1.00 0.00 O ATOM 1465 CB HIS A 94 -5.100 -11.861 -18.350 1.00 0.00 C ATOM 1478 N MET A 95 -4.309 -14.000 -20.401 1.00 0.00 N ATOM 1479 CA MET A 95 -4.235 -14.498 -21.770 1.00 0.00 C ATOM 1480 C MET A 95 -5.264 -15.600 -22.003 1.00 0.00 C ATOM 1481 O MET A 95 -5.970 -15.601 -23.012 1.00 0.00 O ATOM 1482 CB MET A 95 -2.830 -15.024 -22.070 1.00 0.00 C ATOM 1495 N LYS A 96 -5.344 -16.537 -21.065 1.00 0.00 N ATOM 1496 CA LYS A 96 -6.287 -17.645 -21.167 1.00 0.00 C ATOM 1497 C LYS A 96 -7.599 -17.186 -21.795 1.00 0.00 C ATOM 1498 O LYS A 96 -8.088 -17.794 -22.747 1.00 0.00 O ATOM 1499 CB LYS A 96 -6.553 -18.244 -19.784 1.00 0.00 C ATOM 1517 N ARG A 97 -8.163 -16.110 -21.257 1.00 0.00 N ATOM 1518 CA ARG A 97 -9.418 -15.570 -21.765 1.00 0.00 C ATOM 1519 C ARG A 97 -9.390 -15.469 -23.287 1.00 0.00 C ATOM 1520 O ARG A 97 -10.330 -15.886 -23.965 1.00 0.00 O ATOM 1521 CB ARG A 97 -9.689 -14.192 -21.157 1.00 0.00 C ATOM 1541 N HIS A 98 -8.306 -14.913 -23.818 1.00 0.00 N ATOM 1542 CA HIS A 98 -8.155 -14.758 -25.261 1.00 0.00 C ATOM 1543 C HIS A 98 -8.199 -16.113 -25.961 1.00 0.00 C ATOM 1544 O HIS A 98 -9.116 -16.394 -26.731 1.00 0.00 O ATOM 1545 CB HIS A 98 -6.842 -14.045 -25.584 1.00 0.00 C ATOM 1558 N GLN A 99 -7.200 -16.946 -25.688 1.00 0.00 N ATOM 1559 CA GLN A 99 -7.125 -18.271 -26.293 1.00 0.00 C ATOM 1560 C GLN A 99 -8.306 -19.134 -25.862 1.00 0.00 C ATOM 1561 O GLN A 99 -9.080 -18.752 -24.986 1.00 0.00 O ATOM 1562 CB GLN A 99 -5.811 -18.955 -25.910 1.00 0.00 C ATOM 1575 N ASN A 100 -8.437 -20.301 -26.485 1.00 0.00 N ATOM 1576 CA ASN A 100 -9.525 -21.219 -26.166 1.00 0.00 C ATOM 1577 C ASN A 100 -9.528 -21.564 -24.680 1.00 0.00 C ATOM 1578 O ASN A 100 -8.569 -22.138 -24.164 1.00 0.00 O ATOM 1579 CB ASN A 100 -9.402 -22.497 -26.998 1.00 0.00 C TER END

Sequence

GSSGSSGPDLEKRRIHYCDYPGCTKVYTKSSHLKAHLRTHTGEKPYKCTWEGCDWRFARSDELTRHYRKHTGAKPFQCGVCNRSFSRSDHLALHMKRHQN

Include PDBs in fragment library search database

5WJQ chain

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