User input for job 637529

Modeling method CM only

• Superimpose partial threads before hybrid sampling.
• Sample 100 models.

Partial threads

wt: 1 >query MRGSHHHHHHSIEGRVKEFTQLKNTFPQYLREYQNTNAALQDWRELRQQW >CHAF.pdb ---------------VKEFTQFKNTFPQFLREFQNFNAAFQDFRELFQQF ATOM 1 N VAL A 16 22.477 10.246 -4.720 1.00 0.00 N ATOM 2 CA VAL A 16 22.558 10.105 -3.267 1.00 0.00 C ATOM 3 C VAL A 16 21.178 10.088 -2.652 1.00 0.00 C ATOM 4 O VAL A 16 20.838 9.204 -1.889 1.00 0.00 O ATOM 5 CB VAL A 16 23.373 11.259 -2.654 1.00 0.00 C ATOM 19 N LYS A 17 20.351 11.073 -3.020 1.00 0.00 N ATOM 20 CA LYS A 17 19.025 11.177 -2.420 1.00 0.00 C ATOM 21 C LYS A 17 18.174 9.981 -2.770 1.00 0.00 C ATOM 22 O LYS A 17 17.208 9.681 -2.046 1.00 0.00 O ATOM 23 CB LYS A 17 18.327 12.462 -2.869 1.00 0.00 C ATOM 41 N GLU A 18 18.452 9.297 -3.877 1.00 0.00 N ATOM 42 CA GLU A 18 17.541 8.256 -4.345 1.00 0.00 C ATOM 43 C GLU A 18 17.572 7.078 -3.368 1.00 0.00 C ATOM 44 O GLU A 18 16.747 6.173 -3.455 1.00 0.00 O ATOM 45 CB GLU A 18 17.923 7.791 -5.753 1.00 0.00 C ATOM 56 N PHE A 19 18.507 7.088 -2.448 1.00 0.00 N ATOM 57 CA PHE A 19 18.534 6.106 -1.367 1.00 0.00 C ATOM 58 C PHE A 19 18.513 6.783 -0.018 1.00 0.00 C ATOM 59 O PHE A 19 17.978 6.251 0.952 1.00 0.00 O ATOM 60 CB PHE A 19 19.777 5.219 -1.472 1.00 0.00 C ATOM 76 N THR A 20 19.163 7.930 0.073 1.00 0.00 N ATOM 77 CA THR A 20 19.344 8.571 1.370 1.00 0.00 C ATOM 78 C THR A 20 18.009 8.927 1.988 1.00 0.00 C ATOM 79 O THR A 20 17.813 8.792 3.193 1.00 0.00 O ATOM 80 CB THR A 20 20.211 9.837 1.254 1.00 0.00 C ATOM 90 N GLN A 21 17.092 9.404 1.145 1.00 0.00 N ATOM 91 CA GLN A 21 15.821 9.886 1.680 1.00 0.00 C ATOM 92 C GLN A 21 14.922 8.731 2.055 1.00 0.00 C ATOM 93 O GLN A 21 13.829 8.946 2.565 1.00 0.00 O ATOM 94 CB GLN A 21 15.112 10.788 0.667 1.00 0.00 C ATOM 107 N LEU A 22 15.394 7.503 1.782 1.00 0.00 N ATOM 108 CA LEU A 22 14.590 6.327 2.104 1.00 0.00 C ATOM 109 C LEU A 22 15.150 5.602 3.304 1.00 0.00 C ATOM 110 O LEU A 22 14.428 5.169 4.172 1.00 0.00 O ATOM 111 CB LEU A 22 14.529 5.370 0.912 1.00 0.00 C ATOM 127 N LYS A 23 16.477 5.453 3.295 1.00 0.00 N ATOM 128 CA LYS A 23 17.127 4.737 4.388 1.00 0.00 C ATOM 129 C LYS A 23 16.995 5.501 5.686 1.00 0.00 C ATOM 130 O LYS A 23 17.139 4.904 6.770 1.00 0.00 O ATOM 131 CB LYS A 23 18.603 4.491 4.073 1.00 0.00 C ATOM 149 N ASN A 24 16.740 6.798 5.631 1.00 0.00 N ATOM 150 CA ASN A 24 16.547 7.555 6.864 1.00 0.00 C ATOM 151 C ASN A 24 15.076 7.719 7.172 1.00 0.00 C ATOM 152 O ASN A 24 14.674 8.468 8.059 1.00 0.00 O ATOM 153 CB ASN A 24 17.226 8.909 6.780 1.00 0.00 C ATOM 163 N THR A 25 14.249 6.988 6.446 1.00 0.00 N ATOM 164 CA THR A 25 12.804 7.033 6.650 1.00 0.00 C ATOM 165 C THR A 25 12.303 5.732 7.235 1.00 0.00 C ATOM 166 O THR A 25 11.502 5.726 8.180 1.00 0.00 O ATOM 167 CB THR A 25 12.060 7.327 5.334 1.00 0.00 C ATOM 177 N PHE A 26 12.752 4.598 6.690 1.00 0.00 N ATOM 178 CA PHE A 26 12.208 3.317 7.139 1.00 0.00 C ATOM 179 C PHE A 26 12.454 3.112 8.612 1.00 0.00 C ATOM 180 O PHE A 26 11.597 2.563 9.315 1.00 0.00 O ATOM 181 CB PHE A 26 12.827 2.159 6.355 1.00 0.00 C ATOM 197 N PRO A 27 13.760 3.543 9.146 1.00 0.00 N ATOM 198 CA PRO A 27 13.897 3.293 10.573 1.00 0.00 C ATOM 199 C PRO A 27 12.807 4.017 11.382 1.00 0.00 C ATOM 200 O PRO A 27 12.615 3.603 12.484 1.00 0.00 O ATOM 201 CB PRO A 27 15.292 3.846 10.877 1.00 0.00 C ATOM 211 N GLN A 28 12.261 5.084 10.807 1.00 0.00 N ATOM 212 CA GLN A 28 11.257 5.802 11.587 1.00 0.00 C ATOM 213 C GLN A 28 10.007 4.971 11.753 1.00 0.00 C ATOM 214 O GLN A 28 9.335 5.036 12.752 1.00 0.00 O ATOM 215 CB GLN A 28 10.907 7.138 10.926 1.00 0.00 C ATOM 228 N TYR A 29 9.711 4.196 10.688 1.00 0.00 N ATOM 229 CA TYR A 29 8.572 3.283 10.764 1.00 0.00 C ATOM 230 C TYR A 29 8.733 2.315 11.911 1.00 0.00 C ATOM 231 O TYR A 29 7.773 2.057 12.641 1.00 0.00 O ATOM 232 CB TYR A 29 8.413 2.506 9.458 1.00 0.00 C ATOM 248 N LEU A 30 9.939 1.772 12.123 1.00 0.00 N ATOM 249 CA LEU A 30 10.209 0.857 13.233 1.00 0.00 C ATOM 250 C LEU A 30 9.996 1.539 14.561 1.00 0.00 C ATOM 251 O LEU A 30 9.490 0.924 15.504 1.00 0.00 O ATOM 252 CB LEU A 30 11.646 0.326 13.155 1.00 0.00 C ATOM 267 N ARG A 31 10.495 2.779 14.679 1.00 0.00 N ATOM 268 CA ARG A 31 10.306 3.579 15.886 1.00 0.00 C ATOM 269 C ARG A 31 8.841 3.707 16.229 1.00 0.00 C ATOM 270 O ARG A 31 8.462 3.568 17.392 1.00 0.00 O ATOM 271 CB ARG A 31 10.903 4.968 15.716 1.00 0.00 C ATOM 291 N GLU A 32 8.039 4.088 15.254 1.00 0.00 N ATOM 292 CA GLU A 32 6.615 4.306 15.497 1.00 0.00 C ATOM 293 C GLU A 32 5.927 3.013 15.855 1.00 0.00 C ATOM 294 O GLU A 32 5.071 2.952 16.724 1.00 0.00 O ATOM 295 CB GLU A 32 5.943 4.924 14.270 1.00 0.00 C ATOM 306 N TYR A 33 6.340 1.966 15.167 1.00 0.00 N ATOM 307 CA TYR A 33 5.749 0.650 15.387 1.00 0.00 C ATOM 308 C TYR A 33 6.050 0.142 16.776 1.00 0.00 C ATOM 309 O TYR A 33 5.176 -0.405 17.446 1.00 0.00 O ATOM 310 CB TYR A 33 6.265 -0.352 14.352 1.00 0.00 C ATOM 326 N GLN A 34 7.283 0.346 17.226 1.00 0.00 N ATOM 327 CA GLN A 34 7.701 -0.099 18.549 1.00 0.00 C ATOM 328 C GLN A 34 6.969 0.659 19.631 1.00 0.00 C ATOM 329 O GLN A 34 6.526 0.098 20.627 1.00 0.00 O ATOM 330 CB GLN A 34 9.212 0.072 18.726 1.00 0.00 C ATOM 343 N ASN A 35 6.850 1.976 19.435 1.00 0.00 N ATOM 344 CA ASN A 35 6.194 2.811 20.437 1.00 0.00 C ATOM 345 C ASN A 35 4.734 2.449 20.570 1.00 0.00 C ATOM 346 O ASN A 35 4.223 2.302 21.673 1.00 0.00 O ATOM 347 CB ASN A 35 6.346 4.283 20.098 1.00 0.00 C ATOM 357 N THR A 36 4.073 2.350 19.434 1.00 0.00 N ATOM 358 CA THR A 36 2.663 1.974 19.409 1.00 0.00 C ATOM 359 C THR A 36 2.465 0.572 19.931 1.00 0.00 C ATOM 360 O THR A 36 1.593 0.352 20.784 1.00 0.00 O ATOM 361 CB THR A 36 2.103 2.073 17.989 1.00 0.00 C ATOM 377 N ASN A 37 3.237 -0.418 19.428 1.00 0.00 N ATOM 378 CA ASN A 37 2.966 -1.788 19.852 1.00 0.00 C ATOM 379 C ASN A 37 3.136 -1.937 21.343 1.00 0.00 C ATOM 380 O ASN A 37 2.380 -2.628 21.998 1.00 0.00 O ATOM 381 CB ASN A 37 3.860 -2.770 19.117 1.00 0.00 C ATOM 391 N ALA A 38 4.180 -1.251 21.922 1.00 0.00 N ATOM 392 CA ALA A 38 4.338 -1.282 23.372 1.00 0.00 C ATOM 393 C ALA A 38 3.147 -0.657 24.060 1.00 0.00 C ATOM 394 O ALA A 38 2.772 -1.105 25.134 1.00 0.00 O ATOM 395 CB ALA A 38 5.618 -0.569 23.788 1.00 0.00 C ATOM 401 N ALA A 39 2.669 0.474 23.492 1.00 0.00 N ATOM 402 CA ALA A 39 1.513 1.155 24.067 1.00 0.00 C ATOM 403 C ALA A 39 0.301 0.250 24.070 1.00 0.00 C ATOM 404 O ALA A 39 -0.510 0.291 24.972 1.00 0.00 O ATOM 405 CB ALA A 39 1.211 2.438 23.306 1.00 0.00 C ATOM 411 N LEU A 40 0.160 -0.519 22.988 1.00 0.00 N ATOM 412 CA LEU A 40 -0.950 -1.463 22.904 1.00 0.00 C ATOM 413 C LEU A 40 -0.842 -2.522 23.971 1.00 0.00 C ATOM 414 O LEU A 40 -1.852 -2.892 24.593 1.00 0.00 O ATOM 415 CB LEU A 40 -0.993 -2.129 21.528 1.00 0.00 C ATOM 431 N GLN A 41 0.372 -3.068 24.192 1.00 0.00 N ATOM 432 CA GLN A 41 0.524 -4.077 25.237 1.00 0.00 C ATOM 433 C GLN A 41 0.148 -3.521 26.587 1.00 0.00 C ATOM 434 O GLN A 41 -0.458 -4.190 27.409 1.00 0.00 O ATOM 435 CB GLN A 41 1.961 -4.604 25.278 1.00 0.00 C ATOM 448 N ASP A 42 0.537 -2.271 26.787 1.00 0.00 N ATOM 449 CA ASP A 42 0.167 -1.586 28.021 1.00 0.00 C ATOM 450 C ASP A 42 -1.332 -1.447 28.139 1.00 0.00 C ATOM 451 O ASP A 42 -1.926 -1.702 29.165 1.00 0.00 O ATOM 452 CB ASP A 42 0.816 -0.201 28.086 1.00 0.00 C ATOM 460 N TRP A 43 -1.932 -1.048 27.018 1.00 0.00 N ATOM 461 CA TRP A 43 -3.382 -0.885 26.968 1.00 0.00 C ATOM 462 C TRP A 43 -4.085 -2.181 27.292 1.00 0.00 C ATOM 463 O TRP A 43 -5.052 -2.212 28.040 1.00 0.00 O ATOM 464 CB TRP A 43 -3.826 -0.397 25.587 1.00 0.00 C ATOM 480 N ARG A 44 -3.567 -3.303 26.721 1.00 0.00 N ATOM 481 CA ARG A 44 -4.157 -4.602 27.033 1.00 0.00 C ATOM 482 C ARG A 44 -4.265 -4.803 28.526 1.00 0.00 C ATOM 483 O ARG A 44 -5.263 -5.315 28.980 1.00 0.00 O ATOM 484 CB ARG A 44 -3.330 -5.731 26.435 1.00 0.00 C ATOM 504 N GLU A 45 -3.167 -4.563 29.212 1.00 0.00 N ATOM 505 CA GLU A 45 -3.137 -4.727 30.662 1.00 0.00 C ATOM 506 C GLU A 45 -4.012 -3.697 31.339 1.00 0.00 C ATOM 507 O GLU A 45 -4.719 -4.027 32.309 1.00 0.00 O ATOM 508 CB GLU A 45 -1.706 -4.616 31.191 1.00 0.00 C ATOM 519 N LEU A 46 -3.988 -2.444 30.894 1.00 0.00 N ATOM 520 CA LEU A 46 -4.881 -1.422 31.435 1.00 0.00 C ATOM 521 C LEU A 46 -6.321 -1.873 31.368 1.00 0.00 C ATOM 522 O LEU A 46 -7.097 -1.702 32.301 1.00 0.00 O ATOM 523 CB LEU A 46 -4.720 -0.105 30.667 1.00 0.00 C ATOM 538 N ARG A 47 -6.691 -2.446 30.218 1.00 0.00 N ATOM 539 CA ARG A 47 -8.042 -2.967 30.016 1.00 0.00 C ATOM 540 C ARG A 47 -8.356 -4.051 31.020 1.00 0.00 C ATOM 541 O ARG A 47 -9.406 -4.023 31.678 1.00 0.00 O ATOM 542 CB ARG A 47 -8.205 -3.521 28.600 1.00 0.00 C ATOM 558 N GLN A 48 -7.457 -5.047 31.140 1.00 0.00 N ATOM 559 CA GLN A 48 -7.725 -6.181 32.020 1.00 0.00 C ATOM 560 C GLN A 48 -7.931 -5.724 33.445 1.00 0.00 C ATOM 561 O GLN A 48 -8.688 -6.346 34.180 1.00 0.00 O ATOM 562 CB GLN A 48 -6.580 -7.196 31.961 1.00 0.00 C ATOM 575 N GLN A 49 -7.199 -4.673 33.851 1.00 0.00 N ATOM 576 CA GLN A 49 -7.311 -4.155 35.211 1.00 0.00 C ATOM 577 C GLN A 49 -8.380 -3.092 35.301 1.00 0.00 C ATOM 578 O GLN A 49 -8.516 -2.456 36.376 1.00 0.00 O ATOM 579 CB GLN A 49 -5.972 -3.584 35.685 1.00 0.00 C ATOM 592 N TRP A 50 -9.142 -2.860 34.248 1.00 0.00 N ATOM 593 CA TRP A 50 -10.115 -1.771 34.289 1.00 0.00 C ATOM 594 C TRP A 50 -11.249 -2.094 35.230 1.00 0.00 C ATOM 595 O TRP A 50 -11.844 -3.173 35.154 1.00 0.00 O ATOM 596 CB TRP A 50 -10.675 -1.490 32.894 1.00 0.00 C TER END

Sequence

MRGSHHHHHHSIEGRVKEFTQLKNTFPQYLREYQNTNAALQDWRELRQQW

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