User input for job 50148

Modeling method CM only

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

Partial threads

wt: 1 >query HMCIEQSFTTLFACQTAAEIWRAFGYTVKIMVDNGNCRLHVCLEGGSGSGGSGSGSGGSEPKSSDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK >A13Fc2.pdb --CIEQSFTTLFACQTAAEIWRAFGYTVKIMVD-GNCRLHVC--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- ATOM 1 N CYS C 3 108.515 1.594 51.934 1.00 53.84 C N ATOM 2 CA CYS C 3 107.960 2.263 50.743 1.00 51.08 C C ATOM 3 C CYS C 3 107.142 1.275 49.916 1.00 49.97 C C ATOM 4 O CYS C 3 107.292 0.062 50.051 1.00 56.27 C O ATOM 5 CB CYS C 3 109.077 2.865 49.857 1.00 56.23 C C ATOM 7 N ILE C 4 106.331 1.805 49.017 1.00 46.09 C N ATOM 8 CA ILE C 4 105.354 1.044 48.256 1.00 46.83 C C ATOM 9 C ILE C 4 105.523 1.427 46.799 1.00 48.12 C C ATOM 10 O ILE C 4 105.695 2.613 46.493 1.00 49.02 C O ATOM 11 CB ILE C 4 103.913 1.366 48.736 1.00 45.73 C C ATOM 15 N GLU C 5 105.437 0.439 45.906 1.00 46.92 C N ATOM 16 CA GLU C 5 105.391 0.672 44.471 1.00 49.47 C C ATOM 17 C GLU C 5 104.021 0.320 43.904 1.00 48.81 C C ATOM 18 O GLU C 5 103.487 -0.763 44.173 1.00 47.65 C O ATOM 19 CB GLU C 5 106.433 -0.168 43.748 1.00 60.15 C C ATOM 24 N GLN C 6 103.502 1.190 43.027 1.00 41.05 C N ATOM 25 CA GLN C 6 102.315 0.876 42.255 1.00 39.58 C C ATOM 26 C GLN C 6 102.587 1.135 40.786 1.00 45.86 C C ATOM 27 O GLN C 6 103.421 1.980 40.421 1.00 43.81 C O ATOM 28 CB GLN C 6 101.135 1.709 42.685 1.00 39.81 C C ATOM 33 N SER C 7 101.895 0.395 39.938 1.00 41.16 C N ATOM 34 CA SER C 7 102.009 0.630 38.505 1.00 44.98 C C ATOM 35 C SER C 7 100.595 0.746 37.924 1.00 46.96 C C ATOM 36 O SER C 7 99.671 0.062 38.380 1.00 46.10 C O ATOM 37 CB SER C 7 102.846 -0.509 37.872 1.00 48.75 C C ATOM 39 N PHE C 8 100.404 1.667 36.957 1.00 42.60 C N ATOM 40 CA PHE C 8 99.067 1.962 36.445 1.00 37.46 C C ATOM 41 C PHE C 8 99.139 2.012 34.941 1.00 37.79 C C ATOM 42 O PHE C 8 100.105 2.531 34.387 1.00 43.55 C O ATOM 43 CB PHE C 8 98.513 3.304 36.957 1.00 32.96 C C ATOM 50 N THR C 9 98.126 1.463 34.297 1.00 37.47 C N ATOM 51 CA THR C 9 98.081 1.517 32.854 1.00 39.11 C C ATOM 52 C THR C 9 97.403 2.795 32.390 1.00 47.22 C C ATOM 53 O THR C 9 97.422 3.095 31.188 1.00 47.51 C O ATOM 54 CB THR C 9 97.341 0.261 32.330 1.00 43.66 C C ATOM 57 N THR C 10 96.751 3.537 33.298 1.00 38.01 C N ATOM 58 CA THR C 10 96.117 4.780 32.919 1.00 38.27 C C ATOM 59 C THR C 10 96.732 5.926 33.703 1.00 43.50 C C ATOM 60 O THR C 10 96.942 5.831 34.929 1.00 37.87 C O ATOM 61 CB THR C 10 94.610 4.744 33.146 1.00 38.83 C C ATOM 64 N LEU C 11 96.930 7.036 32.994 1.00 44.02 C N ATOM 65 CA LEU C 11 97.380 8.247 33.672 1.00 42.70 C C ATOM 66 C LEU C 11 96.386 8.696 34.736 1.00 36.37 C C ATOM 67 O LEU C 11 96.781 9.165 35.819 1.00 35.37 C O ATOM 68 CB LEU C 11 97.567 9.341 32.657 1.00 41.40 C C ATOM 72 N PHE C 12 95.087 8.687 34.388 1.00 34.43 C N ATOM 73 CA PHE C 12 94.070 9.101 35.344 1.00 32.20 C C ATOM 74 C PHE C 12 94.210 8.372 36.697 1.00 31.68 C C ATOM 75 O PHE C 12 94.132 8.986 37.781 1.00 29.27 C O ATOM 76 CB PHE C 12 92.696 8.836 34.741 1.00 32.72 C C ATOM 83 N ALA C 13 94.298 7.035 36.667 1.00 29.02 C N ATOM 84 CA ALA C 13 94.354 6.298 37.943 1.00 26.58 C C ATOM 85 C ALA C 13 95.634 6.634 38.713 1.00 29.74 C C ATOM 86 O ALA C 13 95.636 6.694 39.945 1.00 29.17 C O ATOM 87 CB ALA C 13 94.297 4.805 37.669 1.00 30.83 C C ATOM 88 N CYS C 14 96.740 6.792 37.986 1.00 31.40 C N ATOM 89 CA CYS C 14 97.996 7.233 38.577 1.00 31.69 C C ATOM 90 C CYS C 14 97.815 8.557 39.312 1.00 27.17 C C ATOM 91 O CYS C 14 98.226 8.698 40.481 1.00 29.95 C O ATOM 92 CB CYS C 14 99.020 7.348 37.448 1.00 37.41 C C ATOM 94 N GLN C 15 97.241 9.559 38.632 1.00 32.90 C N ATOM 95 CA GLN C 15 97.037 10.862 39.257 1.00 32.62 C C ATOM 96 C GLN C 15 96.131 10.715 40.478 1.00 28.74 C C ATOM 97 O GLN C 15 96.386 11.323 41.522 1.00 31.16 C O ATOM 98 CB GLN C 15 96.416 11.866 38.262 1.00 35.15 C C ATOM 103 N THR C 16 95.056 9.912 40.351 1.00 27.15 C N ATOM 104 CA THR C 16 94.088 9.698 41.434 1.00 25.68 C C ATOM 105 C THR C 16 94.781 9.094 42.669 1.00 27.61 C C ATOM 106 O THR C 16 94.591 9.552 43.799 1.00 26.24 C O ATOM 107 CB THR C 16 92.952 8.776 40.949 1.00 28.91 C C ATOM 110 N ALA C 17 95.573 8.054 42.444 1.00 27.91 C N ATOM 111 CA ALA C 17 96.303 7.399 43.537 1.00 26.58 C C ATOM 112 C ALA C 17 97.288 8.366 44.185 1.00 26.08 C C ATOM 113 O ALA C 17 97.389 8.453 45.427 1.00 30.82 C O ATOM 114 CB ALA C 17 97.023 6.192 42.950 1.00 26.47 C C ATOM 115 N ALA C 18 98.018 9.129 43.370 1.00 28.51 C N ATOM 116 CA ALA C 18 99.001 10.047 43.967 1.00 30.02 C C ATOM 117 C ALA C 18 98.327 11.043 44.912 1.00 29.50 C C ATOM 118 O ALA C 18 98.858 11.355 45.989 1.00 28.95 C O ATOM 119 CB ALA C 18 99.753 10.798 42.867 1.00 31.55 C C ATOM 120 N GLU C 19 97.155 11.559 44.531 1.00 26.04 C N ATOM 121 CA GLU C 19 96.526 12.588 45.365 1.00 25.69 C C ATOM 122 C GLU C 19 95.986 11.982 46.671 1.00 26.13 C C ATOM 123 O GLU C 19 96.030 12.641 47.714 1.00 28.02 C O ATOM 124 CB GLU C 19 95.405 13.292 44.580 1.00 30.62 C C ATOM 129 N ILE C 20 95.530 10.727 46.653 1.00 24.20 C N ATOM 130 CA ILE C 20 95.070 10.137 47.901 1.00 27.34 C C ATOM 131 C ILE C 20 96.245 9.938 48.849 1.00 28.15 C C ATOM 132 O ILE C 20 96.191 10.324 50.016 1.00 28.54 C O ATOM 133 CB ILE C 20 94.377 8.805 47.631 1.00 27.95 C C ATOM 137 N TRP C 21 97.328 9.321 48.359 1.00 26.64 C N ATOM 138 CA TRP C 21 98.484 9.142 49.226 1.00 27.12 C C ATOM 139 C TRP C 21 98.929 10.488 49.782 1.00 29.54 C C ATOM 140 O TRP C 21 99.273 10.621 50.964 1.00 28.47 C O ATOM 141 CB TRP C 21 99.635 8.503 48.437 1.00 27.38 C C ATOM 151 N ARG C 22 99.016 11.495 48.908 1.00 28.52 C N ATOM 152 CA ARG C 22 99.504 12.772 49.377 1.00 29.92 C C ATOM 153 C ARG C 22 98.535 13.414 50.374 1.00 31.53 C C ATOM 154 O ARG C 22 98.982 14.105 51.294 1.00 31.76 C O ATOM 155 CB ARG C 22 99.747 13.680 48.161 1.00 28.92 C C ATOM 162 N ALA C 23 97.234 13.159 50.236 1.00 30.26 C N ATOM 163 CA ALA C 23 96.274 13.712 51.190 1.00 29.64 C C ATOM 164 C ALA C 23 96.523 13.180 52.607 1.00 30.97 C C ATOM 165 O ALA C 23 96.326 13.921 53.577 1.00 31.21 C O ATOM 166 CB ALA C 23 94.843 13.413 50.748 1.00 27.67 C C ATOM 167 N PHE C 24 97.037 11.958 52.734 1.00 27.92 C N ATOM 168 CA PHE C 24 97.378 11.367 54.038 1.00 28.57 C C ATOM 169 C PHE C 24 98.802 11.643 54.472 1.00 29.59 C C ATOM 170 O PHE C 24 99.235 11.104 55.508 1.00 30.82 C O ATOM 171 CB PHE C 24 97.143 9.862 53.997 1.00 31.14 C C ATOM 178 N GLY C 25 99.542 12.470 53.725 1.00 29.36 C N ATOM 179 CA GLY C 25 100.881 12.883 54.135 1.00 29.84 C C ATOM 180 C GLY C 25 102.009 12.020 53.616 1.00 33.04 C C ATOM 181 O GLY C 25 103.162 12.254 53.990 1.00 34.69 C O ATOM 182 N TYR C 26 101.715 11.035 52.756 1.00 31.60 C N ATOM 183 CA TYR C 26 102.776 10.232 52.161 1.00 30.62 C C ATOM 184 C TYR C 26 103.502 11.061 51.100 1.00 29.43 C C ATOM 185 O TYR C 26 102.934 11.993 50.529 1.00 33.81 C O ATOM 186 CB TYR C 26 102.181 8.990 51.505 1.00 28.91 C C ATOM 194 N THR C 27 104.765 10.715 50.833 1.00 30.47 C N ATOM 195 CA THR C 27 105.510 11.278 49.700 1.00 33.43 C C ATOM 196 C THR C 27 105.300 10.387 48.476 1.00 32.38 C C ATOM 197 O THR C 27 105.275 9.156 48.591 1.00 32.55 C O ATOM 198 CB THR C 27 106.987 11.395 50.057 1.00 38.40 C C ATOM 201 N VAL C 28 105.085 11.007 47.310 1.00 32.67 C N ATOM 202 CA VAL C 28 104.816 10.253 46.088 1.00 32.90 C C ATOM 203 C VAL C 28 105.731 10.778 45.004 1.00 41.25 C C ATOM 204 O VAL C 28 105.763 11.984 44.763 1.00 36.60 C O ATOM 205 CB VAL C 28 103.340 10.346 45.639 1.00 30.39 C C ATOM 208 N LYS C 29 106.542 9.898 44.424 1.00 39.65 C N ATOM 209 CA LYS C 29 107.278 10.184 43.188 1.00 43.52 C C ATOM 210 C LYS C 29 106.603 9.405 42.067 1.00 46.64 C C ATOM 211 O LYS C 29 106.278 8.221 42.237 1.00 40.61 C O ATOM 212 CB LYS C 29 108.762 9.826 43.324 1.00 47.79 C C ATOM 217 N ILE C 30 106.297 10.112 40.967 1.00 54.28 C N ATOM 218 CA ILE C 30 105.626 9.555 39.794 1.00 55.78 C C ATOM 219 C ILE C 30 106.656 9.325 38.703 1.00 56.89 C C ATOM 220 O ILE C 30 107.500 10.189 38.446 1.00 60.94 C O ATOM 221 CB ILE C 30 104.525 10.493 39.270 1.00 59.64 C C ATOM 225 N MET C 31 106.589 8.162 38.062 1.00 56.05 C N ATOM 226 CA MET C 31 107.431 7.856 36.909 1.00 58.52 C C ATOM 227 C MET C 31 106.527 7.412 35.771 1.00 54.81 C C ATOM 228 O MET C 31 105.715 6.490 35.930 1.00 51.85 C O ATOM 229 CB MET C 31 108.465 6.785 37.240 1.00 70.66 C C ATOM 233 N VAL C 32 106.613 8.114 34.659 1.00 65.65 C N ATOM 234 CA VAL C 32 105.834 7.795 33.473 1.00 70.10 C C ATOM 235 C VAL C 32 106.757 7.008 32.549 1.00 81.20 C C ATOM 236 O VAL C 32 107.802 7.513 32.136 1.00 81.96 C O ATOM 237 CB VAL C 32 105.308 9.079 32.813 1.00 71.27 C C ATOM 240 N ASP C 33 106.401 5.751 32.277 1.00 87.73 C N ATOM 241 CA ASP C 33 107.269 4.832 31.532 1.00 99.88 C C ATOM 242 C ASP C 33 106.498 3.616 31.028 1.00 98.89 C C ATOM 243 O ASP C 33 106.514 3.317 29.839 1.00103.38 C O ATOM 244 CB ASP C 33 108.454 4.384 32.407 1.00105.84 C C ATOM 249 N GLY C 35 104.130 2.991 28.428 1.00 83.29 C N ATOM 250 CA GLY C 35 102.704 3.087 28.683 1.00 82.22 C C ATOM 251 C GLY C 35 102.295 3.160 30.152 1.00 83.66 C C ATOM 252 O GLY C 35 101.242 3.701 30.481 1.00 82.87 C O ATOM 253 N ASN C 36 103.129 2.631 31.044 1.00 82.24 C N ATOM 254 CA ASN C 36 102.773 2.583 32.453 1.00 78.56 C C ATOM 255 C ASN C 36 103.061 3.912 33.138 1.00 72.17 C C ATOM 256 O ASN C 36 103.956 4.669 32.749 1.00 78.74 C O ATOM 257 CB ASN C 36 103.535 1.475 33.183 1.00 82.94 C C ATOM 261 N CYS C 37 102.294 4.191 34.168 1.00 57.66 C N ATOM 262 CA CYS C 37 102.612 5.265 35.090 1.00 54.20 C C ATOM 263 C CYS C 37 102.864 4.599 36.441 1.00 53.37 C C ATOM 264 O CYS C 37 102.046 3.800 36.889 1.00 57.33 C O ATOM 265 CB CYS C 37 101.463 6.288 35.116 1.00 45.76 C C ATOM 267 N ARG C 38 104.022 4.859 37.050 1.00 51.48 C N ATOM 268 CA ARG C 38 104.434 4.158 38.269 1.00 46.08 C C ATOM 269 C ARG C 38 104.540 5.145 39.430 1.00 42.47 C C ATOM 270 O ARG C 38 105.041 6.263 39.255 1.00 44.31 C O ATOM 271 CB ARG C 38 105.813 3.436 38.066 1.00 54.21 C C ATOM 278 N LEU C 39 104.080 4.721 40.611 1.00 39.70 C N ATOM 279 CA LEU C 39 104.199 5.483 41.852 1.00 42.01 C C ATOM 280 C LEU C 39 105.191 4.811 42.799 1.00 46.58 C C ATOM 281 O LEU C 39 105.101 3.593 43.012 1.00 40.40 C O ATOM 282 CB LEU C 39 102.852 5.563 42.547 1.00 39.82 C C ATOM 286 N HIS C 40 106.124 5.605 43.372 1.00 39.42 C N ATOM 287 CA HIS C 40 107.012 5.185 44.465 1.00 41.46 C C ATOM 288 C HIS C 40 106.522 5.936 45.700 1.00 41.09 C C ATOM 289 O HIS C 40 106.640 7.163 45.758 1.00 37.21 C O ATOM 290 CB HIS C 40 108.465 5.541 44.146 1.00 45.05 C C ATOM 296 N VAL C 41 105.902 5.229 46.638 1.00 36.13 C N ATOM 297 CA VAL C 41 105.175 5.867 47.731 1.00 32.76 C C ATOM 298 C VAL C 41 105.928 5.637 49.044 1.00 34.49 C C ATOM 299 O VAL C 41 106.294 4.501 49.364 1.00 37.17 C O ATOM 300 CB VAL C 41 103.751 5.323 47.835 1.00 41.75 C C ATOM 303 N CYS C 42 106.188 6.715 49.781 1.00 36.20 C N ATOM 304 CA CYS C 42 106.966 6.560 51.026 1.00 39.80 C C ATOM 305 C CYS C 42 106.433 7.381 52.183 1.00 44.11 C C ATOM 306 O CYS C 42 105.713 8.358 52.060 1.00 42.37 C O ATOM 307 CB CYS C 42 108.420 6.945 50.832 1.00 45.19 C C TER END

Sequence

HMCIEQSFTTLFACQTAAEIWRAFGYTVKIMVDNGNCRLHVCLEGGSGSGGSGSGSGGSEPKSSDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK

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