User input for job 702426

Modeling method CM only

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

Partial threads

wt: 1 >query GPEVRNPCACRQSEVTVCGSDGKTYGNPCMLNCAAQTKVPGLKLVHEGRCQRSNVEQF >INF4 WT PDB.pdb -----NPCACFRNYVPVCGSDGKTYGNPCMLNCAAQTKVPGLKLVHEGRCQRSNVEQF ATOM 1 N ASN A 6 9.425 12.677 8.126 0.50 29.13 N ATOM 2 CA ASN A 6 10.621 12.042 8.748 0.50 28.98 C ATOM 3 C ASN A 6 10.405 11.799 10.240 0.50 28.84 C ATOM 4 O ASN A 6 10.083 12.722 10.993 0.50 28.81 O ATOM 5 CB ASN A 6 11.874 12.899 8.506 0.50 29.00 C ATOM 9 N PRO A 7 10.593 10.546 10.675 0.50 28.70 N ATOM 10 CA PRO A 7 10.396 10.172 12.073 0.50 28.47 C ATOM 11 C PRO A 7 11.524 10.662 12.971 0.50 28.07 C ATOM 12 O PRO A 7 11.347 10.758 14.192 0.50 28.04 O ATOM 13 CB PRO A 7 10.404 8.637 12.037 0.50 28.66 C ATOM 16 N CYS A 8 12.667 10.971 12.363 0.75 27.68 N ATOM 17 CA CYS A 8 13.869 11.364 13.096 0.75 27.33 C ATOM 18 C CYS A 8 14.164 12.852 13.014 0.75 26.18 C ATOM 19 O CYS A 8 15.186 13.334 13.499 0.75 26.59 O ATOM 20 CB CYS A 8 15.049 10.545 12.610 0.75 27.33 C ATOM 22 N ALA A 9 13.230 13.567 12.417 1.00 25.10 N ATOM 23 CA ALA A 9 13.265 15.004 12.396 1.00 23.74 C ATOM 24 C ALA A 9 12.637 15.418 13.705 1.00 21.96 C ATOM 25 O ALA A 9 11.423 15.545 13.796 1.00 22.38 O ATOM 26 CB ALA A 9 12.450 15.511 11.247 1.00 24.43 C ATOM 27 N CYS A 10 13.459 15.572 14.732 1.00 20.27 N ATOM 28 CA CYS A 10 12.943 15.923 16.050 1.00 19.53 C ATOM 29 C CYS A 10 13.755 17.026 16.634 1.00 19.24 C ATOM 30 O CYS A 10 14.952 17.136 16.377 1.00 20.54 O ATOM 31 CB CYS A 10 13.047 14.754 17.001 1.00 19.55 C ATOM 33 N ARG A 11 13.100 17.852 17.434 1.00 18.26 N ATOM 34 CA ARG A 11 13.823 18.784 18.261 1.00 19.34 C ATOM 35 C ARG A 11 14.275 18.068 19.501 1.00 19.65 C ATOM 36 O ARG A 11 13.882 16.949 19.744 1.00 20.14 O ATOM 37 CB ARG A 11 12.963 19.999 18.576 1.00 18.97 C ATOM 44 N GLN A 12 15.130 18.725 20.271 1.00 21.20 N ATOM 45 CA GLN A 12 15.717 18.053 21.423 1.00 22.01 C ATOM 46 C GLN A 12 15.006 18.356 22.721 1.00 22.29 C ATOM 47 O GLN A 12 15.439 17.908 23.766 1.00 22.72 O ATOM 48 CB GLN A 12 17.198 18.406 21.536 1.00 23.57 C ATOM 55 N SER A 13 13.903 19.095 22.660 1.00 21.82 N ATOM 56 CA SER A 13 13.194 19.453 23.868 1.00 22.27 C ATOM 57 C SER A 13 13.009 18.246 24.749 1.00 22.06 C ATOM 58 O SER A 13 12.581 17.184 24.295 1.00 22.97 O ATOM 59 CB SER A 13 11.813 19.961 23.530 1.00 23.27 C ATOM 63 N GLU A 14 13.272 18.427 26.023 1.00 21.64 N ATOM 64 CA GLU A 14 13.337 17.315 26.924 1.00 21.51 C ATOM 65 C GLU A 14 11.975 16.996 27.474 1.00 21.93 C ATOM 66 O GLU A 14 11.423 17.731 28.295 1.00 22.58 O ATOM 67 CB GLU A 14 14.339 17.652 28.020 1.00 21.91 C ATOM 75 N VAL A 15 11.436 15.889 26.975 1.00 20.58 N ATOM 76 CA VAL A 15 10.143 15.391 27.399 1.00 20.95 C ATOM 77 C VAL A 15 10.362 13.903 27.531 1.00 21.45 C ATOM 78 O VAL A 15 9.987 13.119 26.660 1.00 21.96 O ATOM 79 CB VAL A 15 9.065 15.695 26.360 1.00 20.67 C ATOM 82 N THR A 16 11.052 13.498 28.591 1.00 21.81 N ATOM 83 CA THR A 16 11.538 12.134 28.651 1.00 21.65 C ATOM 84 C THR A 16 10.445 11.098 28.762 1.00 23.78 C ATOM 85 O THR A 16 9.445 11.293 29.418 1.00 22.01 O ATOM 86 CB THR A 16 12.378 12.085 29.917 1.00 22.29 C ATOM 89 N VAL A 17 10.600 10.077 27.940 1.00 21.65 N ATOM 90 CA VAL A 17 9.653 8.976 27.955 1.00 21.85 C ATOM 91 C VAL A 17 10.429 7.693 27.940 1.00 21.31 C ATOM 92 O VAL A 17 11.566 7.649 27.491 1.00 21.83 O ATOM 93 CB VAL A 17 8.665 9.044 26.770 1.00 22.01 C ATOM 96 N CYS A 18 9.796 6.650 28.431 1.00 21.18 N ATOM 97 CA CYS A 18 10.469 5.399 28.599 1.00 21.62 C ATOM 98 C CYS A 18 9.972 4.443 27.567 1.00 21.30 C ATOM 99 O CYS A 18 8.774 4.206 27.464 1.00 21.34 O ATOM 100 CB CYS A 18 10.186 4.883 29.990 1.00 21.99 C ATOM 102 N GLY A 19 10.899 3.886 26.804 1.00 21.01 N ATOM 103 CA GLY A 19 10.559 2.937 25.773 1.00 21.34 C ATOM 104 C GLY A 19 10.440 1.522 26.296 1.00 21.64 C ATOM 105 O GLY A 19 10.968 1.163 27.351 1.00 22.06 O ATOM 106 N SER A 20 9.774 0.703 25.502 1.00 20.86 N ATOM 107 CA SER A 20 9.600 -0.682 25.838 1.00 21.18 C ATOM 108 C SER A 20 10.921 -1.437 25.801 1.00 21.67 C ATOM 109 O SER A 20 10.997 -2.571 26.263 1.00 22.32 O ATOM 110 CB SER A 20 8.623 -1.302 24.854 1.00 21.74 C ATOM 112 N ASP A 21 11.952 -0.811 25.249 1.00 22.01 N ATOM 113 CA ASP A 21 13.290 -1.369 25.284 1.00 22.52 C ATOM 114 C ASP A 21 14.023 -1.052 26.575 1.00 22.53 C ATOM 115 O ASP A 21 15.190 -1.431 26.747 1.00 23.11 O ATOM 116 CB ASP A 21 14.103 -0.873 24.084 1.00 21.20 C ATOM 120 N GLY A 22 13.351 -0.359 27.483 1.00 22.06 N ATOM 121 CA GLY A 22 13.990 0.022 28.722 1.00 22.81 C ATOM 122 C GLY A 22 14.909 1.210 28.584 1.00 22.85 C ATOM 123 O GLY A 22 15.632 1.526 29.510 1.00 23.76 O ATOM 124 N LYS A 23 14.854 1.882 27.433 1.00 21.98 N ATOM 125 CA LYS A 23 15.683 3.051 27.189 1.00 22.34 C ATOM 126 C LYS A 23 14.829 4.287 27.281 1.00 21.82 C ATOM 127 O LYS A 23 13.705 4.314 26.799 1.00 21.76 O ATOM 128 CB LYS A 23 16.288 2.984 25.796 1.00 22.78 C ATOM 134 N THR A 24 15.370 5.325 27.895 1.00 21.23 N ATOM 135 CA THR A 24 14.726 6.604 27.899 1.00 21.49 C ATOM 136 C THR A 24 14.969 7.292 26.590 1.00 21.09 C ATOM 137 O THR A 24 16.035 7.267 26.050 1.00 21.50 O ATOM 138 CB THR A 24 15.275 7.460 29.010 1.00 21.57 C ATOM 141 N TYR A 25 13.915 7.899 26.079 1.00 21.19 N ATOM 142 CA TYR A 25 14.031 8.735 24.899 1.00 20.87 C ATOM 143 C TYR A 25 13.791 10.167 25.291 1.00 20.84 C ATOM 144 O TYR A 25 12.979 10.457 26.172 1.00 21.65 O ATOM 145 CB TYR A 25 13.053 8.251 23.828 1.00 21.59 C ATOM 153 N GLY A 26 14.487 11.057 24.614 1.00 20.66 N ATOM 154 CA GLY A 26 14.492 12.428 25.027 1.00 21.54 C ATOM 155 C GLY A 26 13.184 13.115 24.817 1.00 21.02 C ATOM 156 O GLY A 26 12.937 14.133 25.438 1.00 22.70 O ATOM 157 N ASN A 27 12.369 12.594 23.915 1.00 20.70 N ATOM 158 CA ASN A 27 11.009 13.038 23.755 1.00 20.71 C ATOM 159 C ASN A 27 10.328 12.006 22.902 1.00 20.01 C ATOM 160 O ASN A 27 10.964 11.099 22.384 1.00 20.33 O ATOM 161 CB ASN A 27 10.917 14.464 23.208 1.00 20.61 C ATOM 165 N PRO A 28 9.010 12.071 22.828 1.00 20.07 N ATOM 166 CA PRO A 28 8.323 11.085 22.032 1.00 20.17 C ATOM 167 C PRO A 28 8.716 11.072 20.577 1.00 19.74 C ATOM 168 O PRO A 28 8.718 10.025 19.960 1.00 20.38 O ATOM 169 CB PRO A 28 6.848 11.467 22.196 1.00 20.52 C ATOM 172 N CYS A 29 9.041 12.233 20.023 1.00 20.16 N ATOM 173 CA CYS A 29 9.475 12.242 18.651 1.00 20.35 C ATOM 174 C CYS A 29 10.702 11.365 18.502 1.00 20.39 C ATOM 175 O CYS A 29 10.798 10.562 17.587 1.00 20.45 O ATOM 176 CB CYS A 29 9.741 13.676 18.238 1.00 20.42 C ATOM 178 N MET A 30 11.639 11.501 19.428 1.00 20.04 N ATOM 179 CA MET A 30 12.838 10.697 19.341 1.00 20.54 C ATOM 180 C MET A 30 12.557 9.237 19.567 1.00 20.27 C ATOM 181 O MET A 30 13.201 8.408 18.969 1.00 20.87 O ATOM 182 CB MET A 30 13.848 11.177 20.356 1.00 20.78 C ATOM 190 N LEU A 31 11.590 8.912 20.410 1.00 20.51 N ATOM 191 CA LEU A 31 11.222 7.512 20.544 1.00 20.70 C ATOM 192 C LEU A 31 10.692 7.005 19.227 1.00 21.69 C ATOM 193 O LEU A 31 11.048 5.913 18.790 1.00 21.75 O ATOM 194 CB LEU A 31 10.168 7.367 21.647 1.00 21.13 C ATOM 198 N ASN A 32 9.845 7.793 18.580 1.00 21.41 N ATOM 199 CA ASN A 32 9.323 7.336 17.317 1.00 22.47 C ATOM 200 C ASN A 32 10.414 7.169 16.290 1.00 23.04 C ATOM 201 O ASN A 32 10.410 6.230 15.496 1.00 22.92 O ATOM 202 CB ASN A 32 8.286 8.277 16.771 1.00 23.15 C ATOM 206 N CYS A 33 11.364 8.082 16.292 1.00 23.19 N ATOM 207 CA CYS A 33 12.489 7.938 15.397 1.00 23.10 C ATOM 208 C CYS A 33 13.137 6.588 15.622 1.00 22.88 C ATOM 209 O CYS A 33 13.402 5.856 14.677 1.00 22.07 O ATOM 210 CB CYS A 33 13.486 9.021 15.709 1.00 23.98 C ATOM 213 N ALA A 34 13.387 6.249 16.881 1.00 21.92 N ATOM 214 CA ALA A 34 14.025 4.977 17.177 1.00 22.18 C ATOM 215 C ALA A 34 13.124 3.816 16.771 1.00 22.03 C ATOM 216 O ALA A 34 13.605 2.799 16.289 1.00 21.37 O ATOM 217 CB ALA A 34 14.364 4.906 18.636 1.00 22.34 C ATOM 218 N ALA A 35 11.814 3.993 16.948 1.00 21.71 N ATOM 219 CA ALA A 35 10.847 2.939 16.618 1.00 22.00 C ATOM 220 C ALA A 35 10.876 2.660 15.139 1.00 22.60 C ATOM 221 O ALA A 35 10.617 1.546 14.710 1.00 21.84 O ATOM 222 CB ALA A 35 9.454 3.352 17.028 1.00 22.16 C ATOM 223 N GLN A 36 11.186 3.679 14.358 1.00 22.80 N ATOM 224 CA GLN A 36 11.128 3.535 12.909 1.00 23.69 C ATOM 225 C GLN A 36 12.452 3.120 12.318 1.00 23.57 C ATOM 226 O GLN A 36 12.492 2.637 11.186 1.00 23.47 O ATOM 227 CB GLN A 36 10.660 4.830 12.239 1.00 24.34 C ATOM 232 N THR A 37 13.539 3.297 13.063 1.00 23.89 N ATOM 233 CA THR A 37 14.871 3.152 12.472 1.00 24.04 C ATOM 234 C THR A 37 15.826 2.271 13.263 1.00 23.64 C ATOM 235 O THR A 37 16.782 1.740 12.710 1.00 24.14 O ATOM 236 CB THR A 37 15.552 4.530 12.286 1.00 24.68 C ATOM 239 N LYS A 38 15.573 2.116 14.559 1.00 22.99 N ATOM 240 CA LYS A 38 16.524 1.413 15.404 1.00 23.10 C ATOM 241 C LYS A 38 15.969 0.217 16.141 1.00 22.14 C ATOM 242 O LYS A 38 16.654 -0.776 16.309 1.00 23.34 O ATOM 243 CB LYS A 38 17.114 2.375 16.433 1.00 24.05 C ATOM 248 N VAL A 39 14.737 0.338 16.618 1.00 21.52 N ATOM 249 CA VAL A 39 14.193 -0.665 17.528 1.00 20.96 C ATOM 250 C VAL A 39 12.815 -1.049 17.049 1.00 19.19 C ATOM 251 O VAL A 39 11.833 -0.399 17.395 1.00 19.02 O ATOM 252 CB VAL A 39 14.087 -0.123 18.968 1.00 20.90 C ATOM 255 N PRO A 40 12.727 -2.098 16.236 1.00 18.23 N ATOM 256 CA PRO A 40 11.413 -2.504 15.776 1.00 18.90 C ATOM 257 C PRO A 40 10.496 -2.805 16.936 1.00 19.51 C ATOM 258 O PRO A 40 10.887 -3.492 17.883 1.00 20.61 O ATOM 259 CB PRO A 40 11.702 -3.787 15.022 1.00 18.27 C ATOM 262 N GLY A 41 9.291 -2.261 16.868 1.00 19.94 N ATOM 263 CA GLY A 41 8.261 -2.589 17.843 1.00 20.17 C ATOM 264 C GLY A 41 8.362 -1.709 19.064 1.00 20.86 C ATOM 265 O GLY A 41 7.612 -1.874 20.009 1.00 21.41 O ATOM 266 N LEU A 42 9.291 -0.762 19.056 1.00 19.66 N ATOM 267 CA LEU A 42 9.472 0.088 20.209 1.00 20.32 C ATOM 268 C LEU A 42 8.197 0.835 20.509 1.00 20.79 C ATOM 269 O LEU A 42 7.604 1.436 19.623 1.00 21.33 O ATOM 270 CB LEU A 42 10.569 1.095 19.931 1.00 20.10 C ATOM 274 N LYS A 43 7.813 0.827 21.782 1.00 21.06 N ATOM 275 CA LYS A 43 6.624 1.535 22.216 1.00 21.61 C ATOM 276 C LYS A 43 6.962 2.429 23.366 1.00 21.56 C ATOM 277 O LYS A 43 7.877 2.180 24.126 1.00 21.45 O ATOM 278 CB LYS A 43 5.575 0.551 22.720 1.00 22.76 C ATOM 283 N LEU A 44 6.170 3.475 23.505 1.00 21.35 N ATOM 284 CA LEU A 44 6.292 4.377 24.621 1.00 21.27 C ATOM 285 C LEU A 44 5.518 3.749 25.754 1.00 21.45 C ATOM 286 O LEU A 44 4.291 3.610 25.677 1.00 22.25 O ATOM 287 CB LEU A 44 5.716 5.726 24.221 1.00 20.98 C ATOM 291 N VAL A 45 6.224 3.335 26.794 1.00 21.72 N ATOM 292 CA VAL A 45 5.557 2.621 27.871 1.00 22.16 C ATOM 293 C VAL A 45 5.128 3.483 29.033 1.00 21.28 C ATOM 294 O VAL A 45 4.109 3.209 29.662 1.00 21.22 O ATOM 295 CB VAL A 45 6.359 1.380 28.324 1.00 23.74 C ATOM 300 N HIS A 46 5.884 4.530 29.323 1.00 21.24 N ATOM 301 CA HIS A 46 5.408 5.472 30.304 1.00 20.96 C ATOM 302 C HIS A 46 6.100 6.782 30.152 1.00 20.94 C ATOM 303 O HIS A 46 7.169 6.866 29.570 1.00 21.03 O ATOM 304 CB HIS A 46 5.524 4.933 31.739 1.00 21.43 C ATOM 310 N GLU A 47 5.470 7.808 30.680 1.00 20.67 N ATOM 311 CA GLU A 47 6.034 9.103 30.709 1.00 20.61 C ATOM 312 C GLU A 47 7.211 9.117 31.655 1.00 21.19 C ATOM 313 O GLU A 47 7.227 8.391 32.645 1.00 21.19 O ATOM 314 CB GLU A 47 4.964 10.070 31.196 1.00 21.03 C ATOM 319 N GLY A 48 8.161 9.978 31.369 1.00 20.84 N ATOM 320 CA GLY A 48 9.301 10.144 32.253 1.00 21.17 C ATOM 321 C GLY A 48 10.404 9.200 31.879 1.00 22.05 C ATOM 322 O GLY A 48 10.251 8.330 31.033 1.00 22.12 O ATOM 323 N ARG A 49 11.539 9.365 32.535 1.00 21.79 N ATOM 324 CA ARG A 49 12.634 8.466 32.255 1.00 21.43 C ATOM 325 C ARG A 49 12.319 7.057 32.689 1.00 22.10 C ATOM 326 O ARG A 49 11.566 6.840 33.636 1.00 22.02 O ATOM 327 CB ARG A 49 13.887 8.900 33.008 1.00 22.03 C ATOM 334 N CYS A 50 12.939 6.090 32.018 1.00 21.86 N ATOM 335 CA CYS A 50 12.876 4.748 32.526 1.00 22.35 C ATOM 336 C CYS A 50 13.455 4.735 33.910 1.00 22.96 C ATOM 337 O CYS A 50 14.316 5.532 34.245 1.00 22.18 O ATOM 338 CB CYS A 50 13.643 3.801 31.643 1.00 22.72 C ATOM 340 N GLN A 51 12.945 3.827 34.723 1.00 23.38 N ATOM 341 CA GLN A 51 13.387 3.726 36.092 1.00 24.53 C ATOM 342 C GLN A 51 14.619 2.846 36.153 1.00 24.18 C ATOM 343 O GLN A 51 14.593 1.669 35.799 1.00 24.67 O ATOM 344 CB GLN A 51 12.240 3.204 36.964 1.00 25.63 C ATOM 349 N ARG A 52 15.725 3.439 36.597 1.00 23.18 N ATOM 350 CA ARG A 52 16.945 2.713 36.833 1.00 23.13 C ATOM 351 C ARG A 52 17.694 3.480 37.893 1.00 22.08 C ATOM 352 O ARG A 52 18.296 4.520 37.641 1.00 20.80 O ATOM 353 CB ARG A 52 17.773 2.554 35.560 1.00 23.94 C ATOM 366 N SER A 53 17.616 2.980 39.109 1.00 20.48 N ATOM 367 CA SER A 53 18.193 3.681 40.220 1.00 20.47 C ATOM 368 C SER A 53 19.675 3.910 39.985 1.00 19.39 C ATOM 369 O SER A 53 20.377 3.054 39.444 1.00 19.93 O ATOM 370 CB SER A 53 17.987 2.853 41.477 1.00 20.72 C ATOM 373 N ASN A 54 20.136 5.075 40.416 1.00 18.58 N ATOM 374 CA ASN A 54 21.542 5.427 40.378 1.00 18.01 C ATOM 375 C ASN A 54 22.075 5.509 38.953 1.00 17.03 C ATOM 376 O ASN A 54 23.287 5.535 38.755 1.00 17.14 O ATOM 377 CB ASN A 54 22.367 4.458 41.219 1.00 18.83 C ATOM 381 N VAL A 55 21.176 5.580 37.985 1.00 17.25 N ATOM 382 CA VAL A 55 21.561 5.779 36.599 1.00 18.10 C ATOM 383 C VAL A 55 20.636 6.808 36.015 1.00 18.33 C ATOM 384 O VAL A 55 21.049 7.903 35.669 1.00 18.52 O ATOM 385 CB VAL A 55 21.459 4.479 35.774 1.00 18.86 C ATOM 388 N GLU A 56 19.355 6.477 35.920 1.00 17.42 N ATOM 389 CA GLU A 56 18.373 7.366 35.329 1.00 18.92 C ATOM 390 C GLU A 56 17.818 8.313 36.364 1.00 20.30 C ATOM 391 O GLU A 56 17.367 9.411 36.014 1.00 21.09 O ATOM 392 CB GLU A 56 17.211 6.573 34.747 1.00 19.57 C ATOM 401 N GLN A 57 17.762 7.834 37.600 1.00 21.57 N ATOM 402 CA GLN A 57 17.373 8.628 38.770 1.00 23.20 C ATOM 403 C GLN A 57 18.532 8.680 39.720 1.00 24.26 C ATOM 404 O GLN A 57 19.526 7.983 39.552 1.00 22.80 O ATOM 405 CB GLN A 57 16.205 7.976 39.514 1.00 22.78 C ATOM 410 N PHE A 58 18.374 9.470 40.776 0.50 25.10 N ATOM 411 CA PHE A 58 19.463 9.737 41.700 0.50 26.48 C ATOM 412 C PHE A 58 19.271 8.955 42.990 0.50 27.14 C ATOM 413 O PHE A 58 18.148 8.701 43.417 0.50 27.76 O ATOM 414 CB PHE A 58 19.551 11.238 41.984 0.50 26.65 C TER END

Sequence

GPEVRNPCACRQSEVTVCGSDGKTYGNPCMLNCAAQTKVPGLKLVHEGRCQRSNVEQF

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