User input for job 701380

Modeling method CM only

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

Partial threads

wt: 1 >query IKVQHREAKRRIRRRRVDLECGCSYYLSINCH >model_01 (2).pdb IKVQHREAKRRIRRRRVDLECGCSYYLSINCH ATOM 1 N ILE A 1 38.841 58.225 55.277 1.00 0.13 N ATOM 2 CA ILE A 1 38.603 56.863 54.680 1.00 0.13 C ATOM 3 C ILE A 1 39.936 56.319 54.214 1.00 0.13 C ATOM 4 O ILE A 1 40.477 56.777 53.220 1.00 0.13 O ATOM 5 CB ILE A 1 37.576 56.955 53.539 1.00 0.13 C ATOM 9 N LYS A 2 40.552 55.391 54.973 1.00 0.21 N ATOM 10 CA LYS A 2 41.897 54.949 54.683 1.00 0.21 C ATOM 11 C LYS A 2 41.879 53.795 53.704 1.00 0.21 C ATOM 12 O LYS A 2 41.244 52.774 53.941 1.00 0.21 O ATOM 13 CB LYS A 2 42.603 54.507 55.983 1.00 0.21 C ATOM 18 N VAL A 3 42.587 53.942 52.573 1.00 0.29 N ATOM 19 CA VAL A 3 42.712 52.907 51.573 1.00 0.29 C ATOM 20 C VAL A 3 44.173 52.938 51.199 1.00 0.29 C ATOM 21 O VAL A 3 44.762 54.007 51.068 1.00 0.29 O ATOM 22 CB VAL A 3 41.840 53.168 50.341 1.00 0.29 C ATOM 25 N GLN A 4 44.828 51.767 51.080 1.00 0.30 N ATOM 26 CA GLN A 4 46.191 51.688 50.596 1.00 0.30 C ATOM 27 C GLN A 4 46.347 52.234 49.173 1.00 0.30 C ATOM 28 O GLN A 4 45.584 51.904 48.271 1.00 0.30 O ATOM 29 CB GLN A 4 46.672 50.221 50.645 1.00 0.30 C ATOM 34 N HIS A 5 47.383 53.072 48.935 1.00 0.27 N ATOM 35 CA HIS A 5 47.604 53.772 47.675 1.00 0.27 C ATOM 36 C HIS A 5 47.803 52.850 46.482 1.00 0.27 C ATOM 37 O HIS A 5 47.479 53.184 45.340 1.00 0.27 O ATOM 38 CB HIS A 5 48.846 54.686 47.779 1.00 0.27 C ATOM 44 N ARG A 6 48.340 51.643 46.744 1.00 0.28 N ATOM 45 CA ARG A 6 48.616 50.597 45.779 1.00 0.28 C ATOM 46 C ARG A 6 47.375 50.049 45.071 1.00 0.28 C ATOM 47 O ARG A 6 47.492 49.544 43.954 1.00 0.28 O ATOM 48 CB ARG A 6 49.442 49.445 46.418 1.00 0.28 C ATOM 55 N GLU A 7 46.163 50.179 45.656 1.00 0.35 N ATOM 56 CA GLU A 7 44.942 49.671 45.057 1.00 0.35 C ATOM 57 C GLU A 7 44.087 50.770 44.429 1.00 0.35 C ATOM 58 O GLU A 7 43.096 50.513 43.739 1.00 0.35 O ATOM 59 CB GLU A 7 44.101 48.948 46.140 1.00 0.35 C ATOM 64 N ALA A 8 44.456 52.055 44.619 1.00 0.41 N ATOM 65 CA ALA A 8 43.677 53.192 44.165 1.00 0.41 C ATOM 66 C ALA A 8 43.646 53.371 42.644 1.00 0.41 C ATOM 67 O ALA A 8 42.644 53.801 42.074 1.00 0.41 O ATOM 68 CB ALA A 8 44.152 54.478 44.867 1.00 0.41 C ATOM 69 N LYS A 9 44.737 53.003 41.935 1.00 0.38 N ATOM 70 CA LYS A 9 44.825 53.081 40.478 1.00 0.38 C ATOM 71 C LYS A 9 43.797 52.223 39.774 1.00 0.38 C ATOM 72 O LYS A 9 43.164 52.625 38.791 1.00 0.38 O ATOM 73 CB LYS A 9 46.208 52.596 39.975 1.00 0.38 C ATOM 78 N ARG A 10 43.610 51.005 40.296 1.00 0.34 N ATOM 79 CA ARG A 10 42.612 50.062 39.876 1.00 0.34 C ATOM 80 C ARG A 10 41.201 50.551 40.136 1.00 0.34 C ATOM 81 O ARG A 10 40.315 50.383 39.296 1.00 0.34 O ATOM 82 CB ARG A 10 42.857 48.737 40.621 1.00 0.34 C ATOM 89 N ARG A 11 40.947 51.179 41.297 1.00 0.34 N ATOM 90 CA ARG A 11 39.666 51.775 41.609 1.00 0.34 C ATOM 91 C ARG A 11 39.261 52.887 40.646 1.00 0.34 C ATOM 92 O ARG A 11 38.125 52.929 40.179 1.00 0.34 O ATOM 93 CB ARG A 11 39.669 52.343 43.045 1.00 0.34 C ATOM 100 N ILE A 12 40.174 53.812 40.307 1.00 0.37 N ATOM 101 CA ILE A 12 39.854 54.947 39.453 1.00 0.37 C ATOM 102 C ILE A 12 39.732 54.591 37.981 1.00 0.37 C ATOM 103 O ILE A 12 38.770 54.983 37.321 1.00 0.37 O ATOM 104 CB ILE A 12 40.828 56.093 39.674 1.00 0.37 C ATOM 108 N ARG A 13 40.663 53.800 37.406 1.00 0.34 N ATOM 109 CA ARG A 13 40.618 53.453 35.987 1.00 0.34 C ATOM 110 C ARG A 13 39.405 52.599 35.614 1.00 0.34 C ATOM 111 O ARG A 13 38.884 52.632 34.492 1.00 0.34 O ATOM 112 CB ARG A 13 41.905 52.710 35.559 1.00 0.34 C ATOM 119 N ARG A 14 38.899 51.824 36.587 1.00 0.33 N ATOM 120 CA ARG A 14 37.729 50.995 36.429 1.00 0.33 C ATOM 121 C ARG A 14 36.457 51.695 36.870 1.00 0.33 C ATOM 122 O ARG A 14 35.375 51.114 36.799 1.00 0.33 O ATOM 123 CB ARG A 14 37.873 49.737 37.299 1.00 0.33 C ATOM 130 N ARG A 15 36.540 52.959 37.327 1.00 0.34 N ATOM 131 CA ARG A 15 35.378 53.735 37.697 1.00 0.34 C ATOM 132 C ARG A 15 34.556 54.154 36.489 1.00 0.34 C ATOM 133 O ARG A 15 35.076 54.590 35.466 1.00 0.34 O ATOM 134 CB ARG A 15 35.757 54.966 38.556 1.00 0.34 C ATOM 141 N ARG A 16 33.224 54.019 36.583 1.00 0.35 N ATOM 142 CA ARG A 16 32.297 54.532 35.604 1.00 0.35 C ATOM 143 C ARG A 16 31.260 55.346 36.347 1.00 0.35 C ATOM 144 O ARG A 16 30.798 54.965 37.414 1.00 0.35 O ATOM 145 CB ARG A 16 31.667 53.387 34.769 1.00 0.35 C ATOM 152 N VAL A 17 30.924 56.532 35.816 1.00 0.40 N ATOM 153 CA VAL A 17 30.075 57.499 36.482 1.00 0.40 C ATOM 154 C VAL A 17 28.863 57.701 35.613 1.00 0.40 C ATOM 155 O VAL A 17 28.967 57.774 34.390 1.00 0.40 O ATOM 156 CB VAL A 17 30.797 58.826 36.707 1.00 0.40 C ATOM 159 N ASP A 18 27.674 57.764 36.237 1.00 0.40 N ATOM 160 CA ASP A 18 26.458 58.163 35.581 1.00 0.40 C ATOM 161 C ASP A 18 26.494 59.654 35.207 1.00 0.40 C ATOM 162 O ASP A 18 26.744 60.518 36.047 1.00 0.40 O ATOM 163 CB ASP A 18 25.276 57.829 36.518 1.00 0.40 C ATOM 167 N LEU A 19 26.232 59.980 33.926 1.00 0.36 N ATOM 168 CA LEU A 19 26.166 61.334 33.412 1.00 0.36 C ATOM 169 C LEU A 19 24.935 62.096 33.895 1.00 0.36 C ATOM 170 O LEU A 19 24.922 63.327 33.863 1.00 0.36 O ATOM 171 CB LEU A 19 26.170 61.311 31.860 1.00 0.36 C ATOM 175 N GLU A 20 23.880 61.399 34.362 1.00 0.36 N ATOM 176 CA GLU A 20 22.679 62.025 34.878 1.00 0.36 C ATOM 177 C GLU A 20 22.742 62.342 36.367 1.00 0.36 C ATOM 178 O GLU A 20 22.473 63.472 36.788 1.00 0.36 O ATOM 179 CB GLU A 20 21.473 61.109 34.587 1.00 0.36 C ATOM 184 N CYS A 21 23.104 61.362 37.223 1.00 0.33 N ATOM 185 CA CYS A 21 23.015 61.528 38.668 1.00 0.33 C ATOM 186 C CYS A 21 24.351 61.631 39.387 1.00 0.33 C ATOM 187 O CYS A 21 24.410 62.026 40.551 1.00 0.33 O ATOM 188 CB CYS A 21 22.163 60.386 39.289 1.00 0.33 C ATOM 190 N GLY A 22 25.470 61.283 38.724 1.00 0.41 N ATOM 191 CA GLY A 22 26.809 61.345 39.303 1.00 0.41 C ATOM 192 C GLY A 22 27.170 60.230 40.255 1.00 0.41 C ATOM 193 O GLY A 22 28.279 60.205 40.785 1.00 0.41 O ATOM 194 N CYS A 23 26.269 59.255 40.501 1.00 0.40 N ATOM 195 CA CYS A 23 26.592 58.060 41.270 1.00 0.40 C ATOM 196 C CYS A 23 27.606 57.178 40.543 1.00 0.40 C ATOM 197 O CYS A 23 27.581 57.029 39.323 1.00 0.40 O ATOM 198 CB CYS A 23 25.356 57.216 41.700 1.00 0.40 C ATOM 200 N SER A 24 28.546 56.574 41.301 1.00 0.37 N ATOM 201 CA SER A 24 29.681 55.884 40.711 1.00 0.37 C ATOM 202 C SER A 24 29.550 54.392 40.820 1.00 0.37 C ATOM 203 O SER A 24 29.091 53.837 41.815 1.00 0.37 O ATOM 204 CB SER A 24 31.050 56.237 41.340 1.00 0.37 C ATOM 206 N TYR A 25 30.035 53.720 39.772 1.00 0.34 N ATOM 207 CA TYR A 25 30.059 52.292 39.612 1.00 0.34 C ATOM 208 C TYR A 25 31.499 51.940 39.320 1.00 0.34 C ATOM 209 O TYR A 25 32.321 52.792 38.994 1.00 0.34 O ATOM 210 CB TYR A 25 29.231 51.818 38.391 1.00 0.34 C ATOM 218 N TYR A 26 31.833 50.649 39.426 1.00 0.32 N ATOM 219 CA TYR A 26 33.169 50.167 39.160 1.00 0.32 C ATOM 220 C TYR A 26 33.019 48.900 38.356 1.00 0.32 C ATOM 221 O TYR A 26 32.287 48.012 38.764 1.00 0.32 O ATOM 222 CB TYR A 26 33.949 49.791 40.449 1.00 0.32 C ATOM 230 N LEU A 27 33.741 48.750 37.227 1.00 0.31 N ATOM 231 CA LEU A 27 33.613 47.610 36.315 1.00 0.31 C ATOM 232 C LEU A 27 33.724 46.236 36.963 1.00 0.31 C ATOM 233 O LEU A 27 33.095 45.272 36.519 1.00 0.31 O ATOM 234 CB LEU A 27 34.713 47.670 35.226 1.00 0.31 C ATOM 238 N SER A 28 34.552 46.117 38.021 1.00 0.29 N ATOM 239 CA SER A 28 34.740 44.894 38.772 1.00 0.29 C ATOM 240 C SER A 28 34.077 44.879 40.141 1.00 0.29 C ATOM 241 O SER A 28 33.396 43.916 40.486 1.00 0.29 O ATOM 242 CB SER A 28 36.245 44.533 38.894 1.00 0.29 C ATOM 244 N ILE A 29 34.242 45.926 40.974 1.00 0.30 N ATOM 245 CA ILE A 29 33.769 45.930 42.359 1.00 0.30 C ATOM 246 C ILE A 29 32.274 46.220 42.530 1.00 0.30 C ATOM 247 O ILE A 29 31.648 45.747 43.471 1.00 0.30 O ATOM 248 CB ILE A 29 34.649 46.869 43.200 1.00 0.30 C ATOM 252 N ASN A 30 31.637 46.986 41.628 1.00 0.32 N ATOM 253 CA ASN A 30 30.297 47.489 41.872 1.00 0.32 C ATOM 254 C ASN A 30 29.783 47.891 40.520 1.00 0.32 C ATOM 255 O ASN A 30 29.595 49.063 40.209 1.00 0.32 O ATOM 256 CB ASN A 30 30.314 48.716 42.825 1.00 0.32 C ATOM 260 N CYS A 31 29.678 46.879 39.656 1.00 0.34 N ATOM 261 CA CYS A 31 29.193 46.975 38.307 1.00 0.34 C ATOM 262 C CYS A 31 27.729 47.393 38.237 1.00 0.34 C ATOM 263 O CYS A 31 26.972 47.215 39.188 1.00 0.34 O ATOM 264 CB CYS A 31 29.518 45.663 37.546 1.00 0.34 C ATOM 266 N HIS A 32 27.343 48.040 37.126 1.00 0.39 N ATOM 267 CA HIS A 32 25.956 48.290 36.766 1.00 0.39 C ATOM 268 C HIS A 32 25.279 47.032 36.152 1.00 0.39 C ATOM 269 O HIS A 32 26.007 46.048 35.838 1.00 0.39 O ATOM 270 CB HIS A 32 25.928 49.393 35.685 1.00 0.39 C TER END

Sequence

IKVQHREAKRRIRRRRVDLECGCSYYLSINCH

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