User input for job 698686

Modeling method CM only

• Superimpose partial threads before hybrid sampling.
• Sample fragments within template regions with probability 0.1.
• Sample 10 models.

Partial threads

wt: 1 >query ---------------NLYYFSYPLFVGFALLRLVAFHLGLLFVWLCQ >maestro_model1_HD_parallel.pdb LVAFHLGLLFVWLCQNLYYFSYPLFVGFALLR--------------- ATOM 125 N ASN A 1 -1.348 -0.928 28.853 1.00 58.12 N ATOM 126 CA ASN A 1 -1.692 -2.235 28.275 1.00 58.12 C ATOM 127 C ASN A 1 -2.232 -2.038 26.864 1.00 58.12 C ATOM 128 O ASN A 1 -1.715 -2.586 25.893 1.00 58.12 O ATOM 129 CB ASN A 1 -2.717 -3.021 29.133 1.00 58.12 C ATOM 133 N LEU A 2 -3.260 -1.189 26.772 1.00 61.41 N ATOM 134 CA LEU A 2 -3.983 -0.877 25.543 1.00 61.41 C ATOM 135 C LEU A 2 -3.093 -0.094 24.564 1.00 61.41 C ATOM 136 O LEU A 2 -3.207 -0.293 23.358 1.00 61.41 O ATOM 137 CB LEU A 2 -5.261 -0.081 25.895 1.00 61.41 C ATOM 141 N TYR A 3 -2.155 0.723 25.070 1.00 65.19 N ATOM 142 CA TYR A 3 -1.176 1.450 24.254 1.00 65.19 C ATOM 143 C TYR A 3 -0.210 0.478 23.549 1.00 65.19 C ATOM 144 O TYR A 3 0.116 0.651 22.378 1.00 65.19 O ATOM 145 CB TYR A 3 -0.387 2.440 25.141 1.00 65.19 C ATOM 153 N TYR A 4 0.200 -0.590 24.243 1.00 66.56 N ATOM 154 CA TYR A 4 1.137 -1.592 23.733 1.00 66.56 C ATOM 155 C TYR A 4 0.434 -2.578 22.785 1.00 66.56 C ATOM 156 O TYR A 4 1.107 -3.313 22.069 1.00 66.56 O ATOM 157 CB TYR A 4 1.719 -2.383 24.924 1.00 66.56 C ATOM 165 N PHE A 5 -0.905 -2.576 22.766 1.00 68.69 N ATOM 166 CA PHE A 5 -1.735 -3.328 21.835 1.00 68.69 C ATOM 167 C PHE A 5 -2.069 -2.455 20.610 1.00 68.69 C ATOM 168 O PHE A 5 -2.004 -2.944 19.485 1.00 68.69 O ATOM 169 CB PHE A 5 -3.035 -3.720 22.567 1.00 68.69 C ATOM 176 N SER A 6 -2.377 -1.160 20.788 1.00 76.00 N ATOM 177 CA SER A 6 -2.716 -0.260 19.689 1.00 76.00 C ATOM 178 C SER A 6 -1.480 0.115 18.849 1.00 76.00 C ATOM 179 O SER A 6 -1.585 0.162 17.625 1.00 76.00 O ATOM 180 CB SER A 6 -3.424 0.992 20.253 1.00 76.00 C ATOM 182 N TYR A 7 -0.315 0.332 19.482 1.00 78.06 N ATOM 183 CA TYR A 7 0.996 0.582 18.867 1.00 78.06 C ATOM 184 C TYR A 7 1.347 -0.322 17.654 1.00 78.06 C ATOM 185 O TYR A 7 1.477 0.209 16.548 1.00 78.06 O ATOM 186 CB TYR A 7 2.089 0.676 19.956 1.00 78.06 C ATOM 194 N PRO A 8 1.427 -1.668 17.789 1.00 81.06 N ATOM 195 CA PRO A 8 1.675 -2.560 16.649 1.00 81.06 C ATOM 196 C PRO A 8 0.519 -2.633 15.634 1.00 81.06 C ATOM 197 O PRO A 8 0.788 -2.806 14.448 1.00 81.06 O ATOM 198 CB PRO A 8 1.988 -3.931 17.267 1.00 81.06 C ATOM 201 N LEU A 9 -0.745 -2.457 16.048 1.00 81.12 N ATOM 202 CA LEU A 9 -1.894 -2.433 15.132 1.00 81.12 C ATOM 203 C LEU A 9 -1.915 -1.153 14.278 1.00 81.12 C ATOM 204 O LEU A 9 -2.281 -1.204 13.104 1.00 81.12 O ATOM 205 CB LEU A 9 -3.216 -2.529 15.925 1.00 81.12 C ATOM 209 N PHE A 10 -1.472 -0.018 14.836 1.00 80.81 N ATOM 210 CA PHE A 10 -1.294 1.258 14.141 1.00 80.81 C ATOM 211 C PHE A 10 -0.249 1.131 13.016 1.00 80.81 C ATOM 212 O PHE A 10 -0.510 1.537 11.884 1.00 80.81 O ATOM 213 CB PHE A 10 -0.899 2.335 15.176 1.00 80.81 C ATOM 220 N VAL A 11 0.891 0.483 13.305 1.00 84.44 N ATOM 221 CA VAL A 11 1.916 0.124 12.322 1.00 84.44 C ATOM 222 C VAL A 11 1.364 -0.929 11.332 1.00 84.44 C ATOM 223 O VAL A 11 1.580 -0.820 10.127 1.00 84.44 O ATOM 224 CB VAL A 11 3.186 -0.376 13.070 1.00 84.44 C ATOM 227 N GLY A 12 0.593 -1.906 11.823 1.00 86.19 N ATOM 228 CA GLY A 12 -0.074 -2.941 11.042 1.00 86.19 C ATOM 229 C GLY A 12 -0.981 -2.368 9.949 1.00 86.19 C ATOM 230 O GLY A 12 -0.759 -2.633 8.771 1.00 86.19 O ATOM 231 N PHE A 13 -1.945 -1.511 10.306 1.00 86.38 N ATOM 232 CA PHE A 13 -2.879 -0.882 9.364 1.00 86.38 C ATOM 233 C PHE A 13 -2.241 0.243 8.517 1.00 86.38 C ATOM 234 O PHE A 13 -2.859 0.710 7.552 1.00 86.38 O ATOM 235 CB PHE A 13 -4.099 -0.333 10.134 1.00 86.38 C ATOM 242 N ALA A 14 -0.998 0.651 8.812 1.00 84.75 N ATOM 243 CA ALA A 14 -0.190 1.509 7.946 1.00 84.75 C ATOM 244 C ALA A 14 0.429 0.694 6.792 1.00 84.75 C ATOM 245 O ALA A 14 0.676 1.259 5.730 1.00 84.75 O ATOM 246 CB ALA A 14 0.944 2.153 8.759 1.00 84.75 C ATOM 247 N LEU A 15 0.626 -0.619 6.975 1.00 89.19 N ATOM 248 CA LEU A 15 1.186 -1.532 5.978 1.00 89.19 C ATOM 249 C LEU A 15 0.074 -2.346 5.285 1.00 89.19 C ATOM 250 O LEU A 15 0.048 -2.433 4.061 1.00 89.19 O ATOM 251 CB LEU A 15 2.134 -2.523 6.698 1.00 89.19 C ATOM 255 N LEU A 16 -0.844 -2.938 6.064 1.00 89.12 N ATOM 256 CA LEU A 16 -1.827 -3.950 5.654 1.00 89.12 C ATOM 257 C LEU A 16 -2.892 -3.410 4.683 1.00 89.12 C ATOM 258 O LEU A 16 -3.388 -4.138 3.825 1.00 89.12 O ATOM 259 CB LEU A 16 -2.484 -4.491 6.950 1.00 89.12 C ATOM 263 N ARG A 17 -3.246 -2.128 4.804 1.00 86.88 N ATOM 264 CA ARG A 17 -4.142 -1.403 3.906 1.00 86.88 C ATOM 265 C ARG A 17 -5.627 -1.728 4.193 1.00 86.88 C ATOM 266 O ARG A 17 -6.415 -0.837 4.515 1.00 86.88 O ATOM 267 CB ARG A 17 -3.864 0.103 4.103 1.00 86.88 C TER END wt: 1 >query NLYYFSYPLFVGFALLRLVAFHLGLLFVWLCQ >maestro_model1_HD.pdb -LYYFSYPLFVGFALLRLVAFHLGLLFVWLC- ATOM 1 N LEU A 2 -20.364 -9.977 2.258 1.00 61.41 N ATOM 2 CA LEU A 2 -19.774 -8.682 2.628 1.00 61.41 C ATOM 3 C LEU A 2 -18.335 -8.578 2.102 1.00 61.41 C ATOM 4 O LEU A 2 -17.827 -7.488 1.856 1.00 61.41 O ATOM 5 CB LEU A 2 -19.837 -8.500 4.164 1.00 61.41 C ATOM 9 N TYR A 3 -17.713 -9.749 1.932 1.00 65.19 N ATOM 10 CA TYR A 3 -16.308 -10.023 1.603 1.00 65.19 C ATOM 11 C TYR A 3 -15.725 -9.127 0.494 1.00 65.19 C ATOM 12 O TYR A 3 -14.635 -8.575 0.621 1.00 65.19 O ATOM 13 CB TYR A 3 -16.170 -11.530 1.297 1.00 65.19 C ATOM 21 N TYR A 4 -16.497 -8.928 -0.578 1.00 66.56 N ATOM 22 CA TYR A 4 -16.099 -8.173 -1.765 1.00 66.56 C ATOM 23 C TYR A 4 -16.263 -6.651 -1.583 1.00 66.56 C ATOM 24 O TYR A 4 -15.838 -5.900 -2.455 1.00 66.56 O ATOM 25 CB TYR A 4 -16.990 -8.628 -2.940 1.00 66.56 C ATOM 33 N PHE A 5 -16.857 -6.193 -0.471 1.00 68.69 N ATOM 34 CA PHE A 5 -16.963 -4.785 -0.083 1.00 68.69 C ATOM 35 C PHE A 5 -15.941 -4.483 1.028 1.00 68.69 C ATOM 36 O PHE A 5 -15.299 -3.434 1.000 1.00 68.69 O ATOM 37 CB PHE A 5 -18.396 -4.516 0.428 1.00 68.69 C ATOM 44 N SER A 6 -15.710 -5.413 1.966 1.00 76.00 N ATOM 45 CA SER A 6 -14.684 -5.267 2.994 1.00 76.00 C ATOM 46 C SER A 6 -13.256 -5.434 2.427 1.00 76.00 C ATOM 47 O SER A 6 -12.355 -4.730 2.882 1.00 76.00 O ATOM 48 CB SER A 6 -14.996 -6.240 4.149 1.00 76.00 C ATOM 50 N TYR A 7 -13.044 -6.282 1.404 1.00 78.06 N ATOM 51 CA TYR A 7 -11.811 -6.379 0.602 1.00 78.06 C ATOM 52 C TYR A 7 -11.247 -5.019 0.105 1.00 78.06 C ATOM 53 O TYR A 7 -10.165 -4.647 0.560 1.00 78.06 O ATOM 54 CB TYR A 7 -11.930 -7.460 -0.503 1.00 78.06 C ATOM 62 N PRO A 8 -11.940 -4.234 -0.755 1.00 81.06 N ATOM 63 CA PRO A 8 -11.448 -2.926 -1.216 1.00 81.06 C ATOM 64 C PRO A 8 -11.267 -1.870 -0.109 1.00 81.06 C ATOM 65 O PRO A 8 -10.324 -1.083 -0.186 1.00 81.06 O ATOM 66 CB PRO A 8 -12.409 -2.480 -2.327 1.00 81.06 C ATOM 69 N LEU A 9 -12.088 -1.888 0.953 1.00 81.12 N ATOM 70 CA LEU A 9 -11.880 -1.045 2.135 1.00 81.12 C ATOM 71 C LEU A 9 -10.591 -1.439 2.884 1.00 81.12 C ATOM 72 O LEU A 9 -9.797 -0.571 3.247 1.00 81.12 O ATOM 73 CB LEU A 9 -13.096 -1.149 3.082 1.00 81.12 C ATOM 77 N PHE A 10 -10.338 -2.745 3.051 1.00 80.81 N ATOM 78 CA PHE A 10 -9.105 -3.293 3.618 1.00 80.81 C ATOM 79 C PHE A 10 -7.884 -2.936 2.751 1.00 80.81 C ATOM 80 O PHE A 10 -6.874 -2.499 3.299 1.00 80.81 O ATOM 81 CB PHE A 10 -9.241 -4.820 3.808 1.00 80.81 C ATOM 88 N VAL A 11 -7.986 -3.045 1.415 1.00 84.44 N ATOM 89 CA VAL A 11 -6.971 -2.597 0.454 1.00 84.44 C ATOM 90 C VAL A 11 -6.662 -1.090 0.602 1.00 84.44 C ATOM 91 O VAL A 11 -5.495 -0.708 0.543 1.00 84.44 O ATOM 92 CB VAL A 11 -7.357 -3.011 -0.994 1.00 84.44 C ATOM 95 N GLY A 12 -7.667 -0.249 0.880 1.00 86.19 N ATOM 96 CA GLY A 12 -7.505 1.173 1.189 1.00 86.19 C ATOM 97 C GLY A 12 -6.641 1.413 2.436 1.00 86.19 C ATOM 98 O GLY A 12 -5.661 2.158 2.384 1.00 86.19 O ATOM 99 N PHE A 13 -6.931 0.701 3.533 1.00 86.38 N ATOM 100 CA PHE A 13 -6.144 0.745 4.770 1.00 86.38 C ATOM 101 C PHE A 13 -4.770 0.059 4.632 1.00 86.38 C ATOM 102 O PHE A 13 -3.867 0.321 5.429 1.00 86.38 O ATOM 103 CB PHE A 13 -6.921 0.045 5.904 1.00 86.38 C ATOM 110 N ALA A 14 -4.606 -0.817 3.635 1.00 84.75 N ATOM 111 CA ALA A 14 -3.379 -1.538 3.330 1.00 84.75 C ATOM 112 C ALA A 14 -2.449 -0.676 2.466 1.00 84.75 C ATOM 113 O ALA A 14 -1.248 -0.664 2.719 1.00 84.75 O ATOM 114 CB ALA A 14 -3.730 -2.804 2.540 1.00 84.75 C ATOM 115 N LEU A 15 -3.001 0.079 1.503 1.00 89.19 N ATOM 116 CA LEU A 15 -2.328 1.113 0.708 1.00 89.19 C ATOM 117 C LEU A 15 -1.741 2.201 1.615 1.00 89.19 C ATOM 118 O LEU A 15 -0.556 2.513 1.529 1.00 89.19 O ATOM 119 CB LEU A 15 -3.333 1.741 -0.288 1.00 89.19 C ATOM 123 N LEU A 16 -2.558 2.679 2.563 1.00 89.12 N ATOM 124 CA LEU A 16 -2.241 3.667 3.598 1.00 89.12 C ATOM 125 C LEU A 16 -1.125 3.211 4.571 1.00 89.12 C ATOM 126 O LEU A 16 -0.657 3.998 5.391 1.00 89.12 O ATOM 127 CB LEU A 16 -3.571 3.950 4.345 1.00 89.12 C ATOM 131 N ARG A 17 -0.701 1.941 4.505 1.00 86.88 N ATOM 132 CA ARG A 17 0.309 1.327 5.365 1.00 86.88 C ATOM 133 C ARG A 17 1.394 0.582 4.566 1.00 86.88 C ATOM 134 O ARG A 17 2.259 -0.052 5.172 1.00 86.88 O ATOM 135 CB ARG A 17 -0.392 0.434 6.412 1.00 86.88 C ATOM 142 N LEU A 18 1.341 0.634 3.228 1.00 89.56 N ATOM 143 CA LEU A 18 2.235 0.035 2.235 1.00 89.56 C ATOM 144 C LEU A 18 2.249 -1.505 2.275 1.00 89.56 C ATOM 145 O LEU A 18 1.723 -2.155 1.378 1.00 89.56 O ATOM 146 CB LEU A 18 3.654 0.660 2.289 1.00 89.56 C ATOM 150 N VAL A 19 2.875 -2.080 3.309 1.00 91.06 N ATOM 151 CA VAL A 19 3.338 -3.468 3.427 1.00 91.06 C ATOM 152 C VAL A 19 2.227 -4.523 3.217 1.00 91.06 C ATOM 153 O VAL A 19 2.483 -5.627 2.740 1.00 91.06 O ATOM 154 CB VAL A 19 4.053 -3.628 4.804 1.00 91.06 C ATOM 157 N ALA A 20 0.978 -4.183 3.551 1.00 89.62 N ATOM 158 CA ALA A 20 -0.167 -5.071 3.395 1.00 89.62 C ATOM 159 C ALA A 20 -0.762 -5.008 1.975 1.00 89.62 C ATOM 160 O ALA A 20 -1.523 -5.901 1.604 1.00 89.62 O ATOM 161 CB ALA A 20 -1.244 -4.639 4.401 1.00 89.62 C ATOM 162 N PHE A 21 -0.436 -3.987 1.164 1.00 90.44 N ATOM 163 CA PHE A 21 -0.962 -3.811 -0.197 1.00 90.44 C ATOM 164 C PHE A 21 -0.494 -4.949 -1.118 1.00 90.44 C ATOM 165 O PHE A 21 -1.249 -5.400 -1.975 1.00 90.44 O ATOM 166 CB PHE A 21 -0.524 -2.443 -0.769 1.00 90.44 C ATOM 173 N HIS A 22 0.707 -5.487 -0.874 1.00 90.81 N ATOM 174 CA HIS A 22 1.274 -6.637 -1.577 1.00 90.81 C ATOM 175 C HIS A 22 0.416 -7.904 -1.398 1.00 90.81 C ATOM 176 O HIS A 22 0.273 -8.678 -2.340 1.00 90.81 O ATOM 177 CB HIS A 22 2.723 -6.873 -1.099 1.00 90.81 C ATOM 183 N LEU A 23 -0.232 -8.071 -0.235 1.00 91.00 N ATOM 184 CA LEU A 23 -1.171 -9.164 0.040 1.00 91.00 C ATOM 185 C LEU A 23 -2.533 -8.879 -0.624 1.00 91.00 C ATOM 186 O LEU A 23 -3.202 -9.796 -1.098 1.00 91.00 O ATOM 187 CB LEU A 23 -1.389 -9.288 1.566 1.00 91.00 C ATOM 191 N GLY A 24 -2.911 -7.597 -0.718 1.00 88.50 N ATOM 192 CA GLY A 24 -4.079 -7.117 -1.451 1.00 88.50 C ATOM 193 C GLY A 24 -3.975 -7.385 -2.957 1.00 88.50 C ATOM 194 O GLY A 24 -4.950 -7.824 -3.562 1.00 88.50 O ATOM 195 N LEU A 25 -2.784 -7.191 -3.538 1.00 90.44 N ATOM 196 CA LEU A 25 -2.455 -7.514 -4.928 1.00 90.44 C ATOM 197 C LEU A 25 -2.335 -9.033 -5.146 1.00 90.44 C ATOM 198 O LEU A 25 -2.728 -9.531 -6.201 1.00 90.44 O ATOM 199 CB LEU A 25 -1.102 -6.868 -5.302 1.00 90.44 C ATOM 203 N LEU A 26 -1.837 -9.780 -4.148 1.00 90.50 N ATOM 204 CA LEU A 26 -1.716 -11.242 -4.196 1.00 90.50 C ATOM 205 C LEU A 26 -3.097 -11.920 -4.290 1.00 90.50 C ATOM 206 O LEU A 26 -3.228 -12.954 -4.939 1.00 90.50 O ATOM 207 CB LEU A 26 -0.932 -11.745 -2.962 1.00 90.50 C ATOM 211 N PHE A 27 -4.139 -11.304 -3.714 1.00 89.81 N ATOM 212 CA PHE A 27 -5.536 -11.722 -3.844 1.00 89.81 C ATOM 213 C PHE A 27 -6.022 -11.626 -5.307 1.00 89.81 C ATOM 214 O PHE A 27 -6.663 -12.553 -5.796 1.00 89.81 O ATOM 215 CB PHE A 27 -6.406 -10.854 -2.911 1.00 89.81 C ATOM 222 N VAL A 28 -5.660 -10.554 -6.033 1.00 87.06 N ATOM 223 CA VAL A 28 -6.003 -10.357 -7.447 1.00 87.06 C ATOM 224 C VAL A 28 -5.287 -11.410 -8.315 1.00 87.06 C ATOM 225 O VAL A 28 -5.897 -11.980 -9.215 1.00 87.06 O ATOM 226 CB VAL A 28 -5.624 -8.920 -7.914 1.00 87.06 C ATOM 229 N TRP A 29 -4.017 -11.699 -7.998 1.00 87.75 N ATOM 230 CA TRP A 29 -3.203 -12.741 -8.628 1.00 87.75 C ATOM 231 C TRP A 29 -3.781 -14.151 -8.388 1.00 87.75 C ATOM 232 O TRP A 29 -3.772 -14.979 -9.294 1.00 87.75 O ATOM 233 CB TRP A 29 -1.765 -12.614 -8.080 1.00 87.75 C ATOM 243 N LEU A 30 -4.315 -14.411 -7.186 1.00 87.31 N ATOM 244 CA LEU A 30 -4.935 -15.682 -6.806 1.00 87.31 C ATOM 245 C LEU A 30 -6.324 -15.852 -7.458 1.00 87.31 C ATOM 246 O LEU A 30 -6.756 -16.977 -7.703 1.00 87.31 O ATOM 247 CB LEU A 30 -5.058 -15.700 -5.262 1.00 87.31 C ATOM 251 N CYS A 31 -7.012 -14.745 -7.764 1.00 84.31 N ATOM 252 CA CYS A 31 -8.267 -14.723 -8.508 1.00 84.31 C ATOM 253 C CYS A 31 -7.981 -14.751 -10.019 1.00 84.31 C ATOM 254 O CYS A 31 -8.852 -14.630 -10.881 1.00 84.31 O ATOM 255 CB CYS A 31 -9.028 -13.418 -8.193 1.00 84.31 C TER END

Sequence

NLYYFSYPLFVGFALLRLVAFHLGLLFVWLCQ

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