User input for job 613559

Modeling method CM only

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

Partial threads

wt: 1 >query MACKCDCKNKQCKCGDKCECSGDKCCEKYCCEEASEKKCCPAGCKGDCKCANCHCAEQKQCGDKTHQHQGTAAAH >8aq9.pdb --------------------------EKYCCEEASEKKCCPAGCKGDCKCANCHCAEQKQCGDKTHQHQG----- ATOM 1 N GLU A 27 1.001 -0.970 -0.712 1.00 61.24 N ATOM 2 CA GLU A 27 1.708 -0.527 -1.902 1.00 72.11 C ATOM 3 C GLU A 27 3.201 -0.370 -1.605 1.00 75.13 C ATOM 4 O GLU A 27 3.590 0.463 -0.788 1.00 63.42 O ATOM 5 CB GLU A 27 1.115 0.778 -2.438 1.00 22.32 C ATOM 16 N LYS A 28 3.995 -1.183 -2.285 1.00 63.52 N ATOM 17 CA LYS A 28 5.437 -1.145 -2.104 1.00 75.35 C ATOM 18 C LYS A 28 5.758 -1.111 -0.609 1.00 70.00 C ATOM 19 O LYS A 28 4.922 -1.408 0.245 1.00 4.42 O ATOM 20 CB LYS A 28 6.045 0.018 -2.891 1.00 75.31 C ATOM 38 N TYR A 29 6.998 -0.739 -0.310 1.00 34.53 N ATOM 39 CA TYR A 29 7.459 -0.659 1.071 1.00 22.31 C ATOM 40 C TYR A 29 6.615 0.328 1.871 1.00 31.02 C ATOM 41 O TYR A 29 6.136 1.329 1.336 1.00 31.41 O ATOM 42 CB TYR A 29 8.930 -0.243 1.116 1.00 43.32 C ATOM 59 N CYS A 30 6.438 0.039 3.156 1.00 53.35 N ATOM 60 CA CYS A 30 5.651 0.901 4.031 1.00 22.34 C ATOM 61 C CYS A 30 6.457 1.307 5.261 1.00 61.20 C ATOM 62 O CYS A 30 5.916 1.875 6.210 1.00 31.13 O ATOM 63 CB CYS A 30 4.367 0.190 4.460 1.00 14.34 C ATOM 69 N CYS A 31 7.752 1.011 5.237 1.00 33.45 N ATOM 70 CA CYS A 31 8.632 1.343 6.352 1.00 65.32 C ATOM 71 C CYS A 31 9.458 2.587 6.040 1.00 20.32 C ATOM 72 O CYS A 31 9.658 2.898 4.867 1.00 4.33 O ATOM 73 CB CYS A 31 9.558 0.167 6.665 1.00 24.41 C ATOM 79 N GLU A 32 9.912 3.264 7.085 1.00 64.44 N ATOM 80 CA GLU A 32 10.709 4.466 6.908 1.00 12.11 C ATOM 81 C GLU A 32 12.200 4.132 6.987 1.00 32.33 C ATOM 82 O GLU A 32 12.936 4.740 7.763 1.00 34.31 O ATOM 83 CB GLU A 32 10.330 5.531 7.940 1.00 63.34 C ATOM 94 N GLU A 33 12.601 3.166 6.174 1.00 70.11 N ATOM 95 CA GLU A 33 13.991 2.743 6.142 1.00 11.31 C ATOM 96 C GLU A 33 14.192 1.659 5.081 1.00 0.34 C ATOM 97 O GLU A 33 15.206 1.608 4.385 1.00 35.23 O ATOM 98 CB GLU A 33 14.447 2.255 7.518 1.00 1.04 C ATOM 109 N ALA A 34 13.195 0.787 4.973 1.00 10.23 N ATOM 110 CA ALA A 34 13.235 -0.303 4.007 1.00 23.42 C ATOM 111 C ALA A 34 12.686 0.140 2.656 1.00 72.14 C ATOM 112 O ALA A 34 11.853 -0.543 2.059 1.00 24.10 O ATOM 113 CB ALA A 34 12.455 -1.500 4.530 1.00 72.44 C ATOM 119 N SER A 35 13.156 1.288 2.178 1.00 23.33 N ATOM 120 CA SER A 35 12.708 1.824 0.899 1.00 42.54 C ATOM 121 C SER A 35 13.610 1.348 -0.236 1.00 2.30 C ATOM 122 O SER A 35 13.794 2.080 -1.208 1.00 24.24 O ATOM 123 CB SER A 35 12.688 3.354 0.942 1.00 60.41 C ATOM 130 N GLU A 36 14.147 0.146 -0.090 1.00 33.24 N ATOM 131 CA GLU A 36 15.023 -0.412 -1.106 1.00 54.21 C ATOM 132 C GLU A 36 15.280 -1.895 -0.830 1.00 12.51 C ATOM 133 O GLU A 36 14.678 -2.761 -1.463 1.00 10.14 O ATOM 134 CB GLU A 36 16.337 0.367 -1.185 1.00 10.34 C ATOM 145 N LYS A 37 16.175 -2.141 0.115 1.00 34.15 N ATOM 146 CA LYS A 37 16.519 -3.504 0.483 1.00 32.11 C ATOM 147 C LYS A 37 17.034 -3.525 1.924 1.00 41.55 C ATOM 148 O LYS A 37 17.758 -4.439 2.315 1.00 73.02 O ATOM 149 CB LYS A 37 17.499 -4.101 -0.529 1.00 53.22 C ATOM 167 N LYS A 38 16.641 -2.505 2.673 1.00 21.43 N ATOM 168 CA LYS A 38 17.054 -2.395 4.062 1.00 3.20 C ATOM 169 C LYS A 38 16.427 -3.534 4.868 1.00 3.14 C ATOM 170 O LYS A 38 16.992 -4.030 5.844 1.00 32.30 O ATOM 171 CB LYS A 38 16.729 -1.003 4.609 1.00 63.15 C ATOM 189 N CYS A 39 15.239 -3.940 4.436 1.00 13.30 N ATOM 190 CA CYS A 39 14.511 -5.016 5.098 1.00 31.35 C ATOM 191 C CYS A 39 13.896 -5.967 4.076 1.00 43.30 C ATOM 192 O CYS A 39 13.925 -7.185 4.251 1.00 62.53 O ATOM 193 CB CYS A 39 13.417 -4.441 6.000 1.00 25.41 C ATOM 199 N CYS A 40 13.340 -5.401 3.011 1.00 72.34 N ATOM 200 CA CYS A 40 12.715 -6.198 1.961 1.00 65.35 C ATOM 201 C CYS A 40 13.072 -5.655 0.581 1.00 65.12 C ATOM 202 O CYS A 40 13.328 -4.464 0.402 1.00 14.14 O ATOM 203 CB CYS A 40 11.197 -6.214 2.138 1.00 34.15 C ATOM 209 N PRO A 41 13.093 -6.548 -0.420 1.00 21.22 N ATOM 210 CA PRO A 41 13.419 -6.182 -1.801 1.00 51.23 C ATOM 211 C PRO A 41 12.329 -5.335 -2.449 1.00 13.21 C ATOM 212 O PRO A 41 11.657 -5.777 -3.381 1.00 25.14 O ATOM 213 CB PRO A 41 13.536 -7.534 -2.509 1.00 24.24 C ATOM 223 N ALA A 42 12.158 -4.115 -1.949 1.00 63.14 N ATOM 224 CA ALA A 42 11.151 -3.206 -2.481 1.00 41.44 C ATOM 225 C ALA A 42 9.752 -3.797 -2.348 1.00 60.44 C ATOM 226 O ALA A 42 9.382 -4.711 -3.084 1.00 35.43 O ATOM 227 CB ALA A 42 11.452 -2.878 -3.937 1.00 33.25 C ATOM 233 N GLY A 43 8.978 -3.270 -1.404 1.00 45.12 N ATOM 234 CA GLY A 43 7.629 -3.759 -1.192 1.00 31.43 C ATOM 235 C GLY A 43 7.599 -5.218 -0.781 1.00 23.14 C ATOM 236 O GLY A 43 7.663 -6.110 -1.628 1.00 32.04 O ATOM 240 N CYS A 44 7.504 -5.462 0.522 1.00 63.24 N ATOM 241 CA CYS A 44 7.469 -6.824 1.044 1.00 41.33 C ATOM 242 C CYS A 44 6.691 -7.744 0.109 1.00 31.44 C ATOM 243 O CYS A 44 5.465 -7.654 0.058 1.00 43.21 O ATOM 244 CB CYS A 44 6.840 -6.841 2.438 1.00 72.45 C ATOM 250 N LYS A 45 7.411 -8.600 -0.602 1.00 13.51 N ATOM 251 CA LYS A 45 6.777 -9.524 -1.526 1.00 55.14 C ATOM 252 C LYS A 45 5.820 -10.435 -0.754 1.00 50.23 C ATOM 253 O LYS A 45 4.776 -10.855 -1.251 1.00 32.44 O ATOM 254 CB LYS A 45 7.832 -10.283 -2.333 1.00 53.04 C ATOM 272 N GLY A 46 6.204 -10.732 0.484 1.00 73.35 N ATOM 273 CA GLY A 46 5.390 -11.588 1.327 1.00 14.41 C ATOM 274 C GLY A 46 6.194 -12.254 2.426 1.00 41.33 C ATOM 275 O GLY A 46 5.886 -12.053 3.599 1.00 35.54 O ATOM 279 N ASP A 47 7.198 -13.025 2.035 1.00 74.43 N ATOM 280 CA ASP A 47 8.034 -13.714 3.003 1.00 14.14 C ATOM 281 C ASP A 47 9.264 -12.858 3.308 1.00 3.34 C ATOM 282 O ASP A 47 10.375 -13.355 3.495 1.00 24.31 O ATOM 283 CB ASP A 47 8.517 -15.059 2.457 1.00 51.44 C ATOM 291 N CYS A 48 9.040 -11.549 3.355 1.00 23.20 N ATOM 292 CA CYS A 48 10.112 -10.600 3.634 1.00 53.50 C ATOM 293 C CYS A 48 10.668 -10.804 5.039 1.00 35.45 C ATOM 294 O CYS A 48 11.881 -10.729 5.224 1.00 43.21 O ATOM 295 CB CYS A 48 9.604 -9.165 3.477 1.00 31.53 C ATOM 301 N LYS A 49 9.778 -11.055 5.989 1.00 3.21 N ATOM 302 CA LYS A 49 10.193 -11.265 7.366 1.00 72.22 C ATOM 303 C LYS A 49 10.679 -9.940 7.956 1.00 51.23 C ATOM 304 O LYS A 49 11.707 -9.864 8.630 1.00 51.43 O ATOM 305 CB LYS A 49 11.226 -12.391 7.448 1.00 11.33 C ATOM 323 N CYS A 50 9.911 -8.890 7.685 1.00 3.14 N ATOM 324 CA CYS A 50 10.240 -7.556 8.175 1.00 1.05 C ATOM 325 C CYS A 50 10.444 -7.567 9.687 1.00 63.11 C ATOM 326 O CYS A 50 10.108 -8.540 10.361 1.00 3.14 O ATOM 327 CB CYS A 50 9.134 -6.567 7.805 1.00 33.13 C ATOM 333 N ALA A 51 10.999 -6.479 10.212 1.00 73.32 N ATOM 334 CA ALA A 51 11.248 -6.364 11.643 1.00 14.43 C ATOM 335 C ALA A 51 10.552 -5.137 12.224 1.00 4.11 C ATOM 336 O ALA A 51 10.154 -5.131 13.388 1.00 3.51 O ATOM 337 CB ALA A 51 12.743 -6.303 11.916 1.00 63.52 C ATOM 343 N ASN A 52 10.411 -4.100 11.405 1.00 15.32 N ATOM 344 CA ASN A 52 9.764 -2.866 11.839 1.00 62.32 C ATOM 345 C ASN A 52 8.246 -2.993 11.766 1.00 34.44 C ATOM 346 O ASN A 52 7.529 -2.509 12.643 1.00 4.33 O ATOM 347 CB ASN A 52 10.231 -1.691 10.977 1.00 74.42 C ATOM 357 N CYS A 53 7.762 -3.648 10.717 1.00 72.22 N ATOM 358 CA CYS A 53 6.328 -3.839 10.529 1.00 31.44 C ATOM 359 C CYS A 53 5.893 -5.215 11.025 1.00 44.22 C ATOM 360 O CYS A 53 4.694 -5.482 11.085 1.00 2.02 O ATOM 361 CB CYS A 53 5.959 -3.675 9.054 1.00 20.33 C ATOM 367 N HIS A 54 6.866 -6.049 11.363 1.00 11.53 N ATOM 368 CA HIS A 54 6.570 -7.386 11.847 1.00 22.32 C ATOM 369 C HIS A 54 5.796 -8.159 10.778 1.00 71.42 C ATOM 370 O HIS A 54 4.626 -8.508 10.943 1.00 23.21 O ATOM 371 CB HIS A 54 5.834 -7.329 13.187 1.00 10.11 C ATOM 384 N CYS A 55 6.479 -8.421 9.669 1.00 23.02 N ATOM 385 CA CYS A 55 5.881 -9.149 8.556 1.00 31.41 C ATOM 386 C CYS A 55 6.328 -10.608 8.557 1.00 2.53 C ATOM 387 O CYS A 55 7.416 -10.933 9.032 1.00 51.00 O ATOM 388 CB CYS A 55 6.255 -8.490 7.228 1.00 52.30 C ATOM 394 N ALA A 56 5.481 -11.481 8.024 1.00 32.51 N ATOM 395 CA ALA A 56 5.789 -12.905 7.963 1.00 11.24 C ATOM 396 C ALA A 56 4.917 -13.612 6.931 1.00 12.24 C ATOM 397 O ALA A 56 3.785 -13.974 7.247 1.00 15.03 O ATOM 398 CB ALA A 56 5.611 -13.542 9.333 1.00 34.34 C ATOM 404 N GLU A 57 5.455 -13.790 5.734 1.00 60.21 N ATOM 405 CA GLU A 57 4.716 -14.451 4.672 1.00 33.20 C ATOM 406 C GLU A 57 3.330 -13.821 4.518 1.00 42.43 C ATOM 407 O GLU A 57 2.301 -14.495 4.544 1.00 1.22 O ATOM 408 CB GLU A 57 4.608 -15.955 4.933 1.00 14.21 C ATOM 419 N GLN A 58 3.329 -12.502 4.355 1.00 55.54 N ATOM 420 CA GLN A 58 2.087 -11.754 4.194 1.00 0.34 C ATOM 421 C GLN A 58 1.249 -11.810 5.468 1.00 63.34 C ATOM 422 O GLN A 58 0.200 -12.452 5.470 1.00 53.44 O ATOM 423 CB GLN A 58 1.283 -12.306 3.016 1.00 40.51 C ATOM 436 N LYS A 59 1.725 -11.146 6.511 1.00 60.41 N ATOM 437 CA LYS A 59 1.011 -11.130 7.777 1.00 64.45 C ATOM 438 C LYS A 59 0.465 -9.724 8.031 1.00 31.21 C ATOM 439 O LYS A 59 0.801 -8.760 7.344 1.00 71.43 O ATOM 440 CB LYS A 59 1.905 -11.656 8.902 1.00 72.10 C ATOM 458 N GLN A 60 -0.392 -9.629 9.043 1.00 60.33 N ATOM 459 CA GLN A 60 -1.001 -8.356 9.411 1.00 61.55 C ATOM 460 C GLN A 60 -0.499 -7.886 10.771 1.00 5.24 C ATOM 461 O GLN A 60 -0.574 -6.700 11.095 1.00 4.15 O ATOM 462 CB GLN A 60 -2.525 -8.484 9.432 1.00 11.43 C ATOM 475 N CYS A 61 0.013 -8.821 11.564 1.00 73.54 N ATOM 476 CA CYS A 61 0.527 -8.502 12.891 1.00 73.41 C ATOM 477 C CYS A 61 -0.469 -7.648 13.668 1.00 2.43 C ATOM 478 O CYS A 61 -1.642 -7.561 13.309 1.00 73.50 O ATOM 479 CB CYS A 61 1.866 -7.773 12.780 1.00 23.11 C ATOM 485 N GLY A 62 0.008 -7.018 14.738 1.00 42.42 N ATOM 486 CA GLY A 62 -0.853 -6.179 15.551 1.00 74.24 C ATOM 487 C GLY A 62 -1.697 -6.983 16.520 1.00 1.24 C ATOM 488 O GLY A 62 -2.920 -6.859 16.495 1.00 14.32 O ATOM 492 N ASP A 63 -1.041 -7.784 17.347 1.00 3.20 N ATOM 493 CA ASP A 63 -1.749 -8.601 18.317 1.00 34.30 C ATOM 494 C ASP A 63 -2.676 -7.711 19.147 1.00 33.24 C ATOM 495 O ASP A 63 -3.896 -7.771 19.000 1.00 50.31 O ATOM 496 CB ASP A 63 -0.774 -9.291 19.273 1.00 14.34 C ATOM 504 N LYS A 64 -2.062 -6.907 20.002 1.00 12.43 N ATOM 505 CA LYS A 64 -2.817 -6.005 20.856 1.00 30.43 C ATOM 506 C LYS A 64 -2.658 -4.572 20.345 1.00 71.23 C ATOM 507 O LYS A 64 -2.081 -3.704 21.000 1.00 13.14 O ATOM 508 CB LYS A 64 -2.408 -6.185 22.319 1.00 25.15 C ATOM 526 N THR A 65 -3.187 -4.341 19.147 1.00 33.22 N ATOM 527 CA THR A 65 -3.118 -3.027 18.522 1.00 40.33 C ATOM 528 C THR A 65 -1.704 -2.461 18.587 1.00 51.33 C ATOM 529 O THR A 65 -1.431 -1.621 19.443 1.00 41.22 O ATOM 530 CB THR A 65 -4.087 -2.034 19.191 1.00 33.21 C ATOM 540 N HIS A 66 -0.846 -2.926 17.691 1.00 4.01 N ATOM 541 CA HIS A 66 0.529 -2.457 17.659 1.00 64.54 C ATOM 542 C HIS A 66 0.571 -1.026 17.121 1.00 41.32 C ATOM 543 O HIS A 66 -0.455 -0.395 16.867 1.00 44.11 O ATOM 544 CB HIS A 66 1.412 -3.417 16.858 1.00 74.50 C ATOM 557 N GLN A 67 1.791 -0.525 16.952 1.00 15.51 N ATOM 558 CA GLN A 67 1.997 0.828 16.448 1.00 60.23 C ATOM 559 C GLN A 67 1.890 0.864 14.927 1.00 72.23 C ATOM 560 O GLN A 67 2.050 1.916 14.307 1.00 11.14 O ATOM 561 CB GLN A 67 3.364 1.356 16.887 1.00 71.50 C ATOM 574 N HIS A 68 1.618 -0.293 14.330 1.00 2.40 N ATOM 575 CA HIS A 68 1.489 -0.393 12.881 1.00 63.24 C ATOM 576 C HIS A 68 0.521 0.658 12.347 1.00 43.50 C ATOM 577 O HIS A 68 -0.675 0.616 12.634 1.00 4.32 O ATOM 578 CB HIS A 68 1.011 -1.791 12.486 1.00 51.32 C ATOM 591 N GLN A 69 1.047 1.600 11.570 1.00 3.13 N ATOM 592 CA GLN A 69 0.229 2.663 10.998 1.00 22.04 C ATOM 593 C GLN A 69 0.153 2.535 9.481 1.00 64.24 C ATOM 594 O GLN A 69 1.051 2.977 8.765 1.00 54.23 O ATOM 595 CB GLN A 69 0.796 4.032 11.379 1.00 55.01 C ATOM 608 N GLY A 70 -0.925 1.925 8.996 1.00 44.50 N ATOM 609 CA GLY A 70 -1.097 1.750 7.566 1.00 72.51 C ATOM 610 C GLY A 70 -2.554 1.788 7.149 1.00 60.43 C ATOM 611 O GLY A 70 -3.379 2.305 7.900 1.00 22.03 O TER END

Sequence

MACKCDCKNKQCKCGDKCECSGDKCCEKYCCEEASEKKCCPAGCKGDCKCANCHCAEQKQCGDKTHQHQGTAAAH

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