User input for job 698988

Modeling method CM only

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

Partial threads

wt: 1 >query NLYYFSYPLFVGFALLRLVAFHLGLLFVWLCQ >model_01_HD.pdb NLYYFSYPLFVGFALLRLVAFHLGLLFVWLCQ ATOM 1 N ASN A 1 45.508 -35.445 -7.779 1.00 0.64 N ATOM 2 CA ASN A 1 45.155 -35.030 -6.364 1.00 0.64 C ATOM 3 C ASN A 1 44.264 -33.819 -6.271 1.00 0.64 C ATOM 4 O ASN A 1 43.247 -33.875 -5.598 1.00 0.64 O ATOM 5 CB ASN A 1 46.423 -34.846 -5.485 1.00 0.64 C ATOM 9 N LEU A 2 44.574 -32.721 -6.996 1.00 0.69 N ATOM 10 CA LEU A 2 43.755 -31.519 -6.989 1.00 0.69 C ATOM 11 C LEU A 2 42.304 -31.784 -7.417 1.00 0.69 C ATOM 12 O LEU A 2 41.374 -31.353 -6.755 1.00 0.69 O ATOM 13 CB LEU A 2 44.414 -30.458 -7.900 1.00 0.69 C ATOM 17 N TYR A 3 42.086 -32.591 -8.487 1.00 0.72 N ATOM 18 CA TYR A 3 40.764 -33.018 -8.939 1.00 0.72 C ATOM 19 C TYR A 3 39.982 -33.822 -7.892 1.00 0.72 C ATOM 20 O TYR A 3 38.814 -33.562 -7.621 1.00 0.72 O ATOM 21 CB TYR A 3 40.933 -33.822 -10.263 1.00 0.72 C ATOM 29 N TYR A 4 40.641 -34.791 -7.228 1.00 0.73 N ATOM 30 CA TYR A 4 40.074 -35.551 -6.126 1.00 0.73 C ATOM 31 C TYR A 4 39.720 -34.721 -4.900 1.00 0.73 C ATOM 32 O TYR A 4 38.776 -35.043 -4.188 1.00 0.73 O ATOM 33 CB TYR A 4 41.020 -36.692 -5.672 1.00 0.73 C ATOM 41 N PHE A 5 40.493 -33.662 -4.601 1.00 0.76 N ATOM 42 CA PHE A 5 40.188 -32.708 -3.556 1.00 0.76 C ATOM 43 C PHE A 5 39.075 -31.720 -3.931 1.00 0.76 C ATOM 44 O PHE A 5 38.186 -31.430 -3.133 1.00 0.76 O ATOM 45 CB PHE A 5 41.499 -31.972 -3.184 1.00 0.76 C ATOM 52 N SER A 6 39.085 -31.167 -5.161 1.00 0.80 N ATOM 53 CA SER A 6 38.105 -30.188 -5.607 1.00 0.80 C ATOM 54 C SER A 6 36.713 -30.747 -5.839 1.00 0.80 C ATOM 55 O SER A 6 35.715 -30.135 -5.465 1.00 0.80 O ATOM 56 CB SER A 6 38.575 -29.391 -6.851 1.00 0.80 C ATOM 58 N TYR A 7 36.603 -31.948 -6.440 1.00 0.81 N ATOM 59 CA TYR A 7 35.334 -32.607 -6.710 1.00 0.81 C ATOM 60 C TYR A 7 34.383 -32.767 -5.498 1.00 0.81 C ATOM 61 O TYR A 7 33.232 -32.342 -5.635 1.00 0.81 O ATOM 62 CB TYR A 7 35.608 -33.960 -7.428 1.00 0.81 C ATOM 70 N PRO A 8 34.737 -33.268 -4.297 1.00 0.86 N ATOM 71 CA PRO A 8 33.837 -33.346 -3.151 1.00 0.86 C ATOM 72 C PRO A 8 33.417 -31.967 -2.666 1.00 0.86 C ATOM 73 O PRO A 8 32.310 -31.834 -2.153 1.00 0.86 O ATOM 74 CB PRO A 8 34.606 -34.163 -2.088 1.00 0.86 C ATOM 77 N LEU A 9 34.265 -30.928 -2.811 1.00 0.86 N ATOM 78 CA LEU A 9 33.924 -29.555 -2.478 1.00 0.86 C ATOM 79 C LEU A 9 32.869 -28.964 -3.396 1.00 0.86 C ATOM 80 O LEU A 9 31.891 -28.380 -2.934 1.00 0.86 O ATOM 81 CB LEU A 9 35.176 -28.649 -2.476 1.00 0.86 C ATOM 85 N PHE A 10 33.003 -29.147 -4.727 1.00 0.86 N ATOM 86 CA PHE A 10 31.999 -28.721 -5.691 1.00 0.86 C ATOM 87 C PHE A 10 30.679 -29.450 -5.515 1.00 0.86 C ATOM 88 O PHE A 10 29.612 -28.834 -5.526 1.00 0.86 O ATOM 89 CB PHE A 10 32.482 -28.902 -7.154 1.00 0.86 C ATOM 96 N VAL A 11 30.723 -30.778 -5.287 1.00 0.90 N ATOM 97 CA VAL A 11 29.547 -31.568 -4.938 1.00 0.90 C ATOM 98 C VAL A 11 28.923 -31.114 -3.622 1.00 0.90 C ATOM 99 O VAL A 11 27.713 -30.912 -3.534 1.00 0.90 O ATOM 100 CB VAL A 11 29.880 -33.058 -4.896 1.00 0.90 C ATOM 103 N GLY A 12 29.733 -30.868 -2.569 1.00 0.92 N ATOM 104 CA GLY A 12 29.252 -30.387 -1.278 1.00 0.92 C ATOM 105 C GLY A 12 28.621 -29.020 -1.308 1.00 0.92 C ATOM 106 O GLY A 12 27.601 -28.787 -0.666 1.00 0.92 O ATOM 107 N PHE A 13 29.187 -28.085 -2.093 1.00 0.93 N ATOM 108 CA PHE A 13 28.621 -26.771 -2.340 1.00 0.93 C ATOM 109 C PHE A 13 27.294 -26.848 -3.103 1.00 0.93 C ATOM 110 O PHE A 13 26.315 -26.197 -2.736 1.00 0.93 O ATOM 111 CB PHE A 13 29.664 -25.892 -3.084 1.00 0.93 C ATOM 118 N ALA A 14 27.215 -27.689 -4.161 1.00 0.91 N ATOM 119 CA ALA A 14 26.003 -27.932 -4.924 1.00 0.91 C ATOM 120 C ALA A 14 24.898 -28.535 -4.067 1.00 0.91 C ATOM 121 O ALA A 14 23.756 -28.077 -4.096 1.00 0.91 O ATOM 122 CB ALA A 14 26.314 -28.838 -6.137 1.00 0.91 C ATOM 123 N LEU A 15 25.236 -29.532 -3.223 1.00 0.94 N ATOM 124 CA LEU A 15 24.327 -30.096 -2.243 1.00 0.94 C ATOM 125 C LEU A 15 23.870 -29.091 -1.209 1.00 0.94 C ATOM 126 O LEU A 15 22.679 -28.973 -0.946 1.00 0.94 O ATOM 127 CB LEU A 15 24.963 -31.295 -1.506 1.00 0.94 C ATOM 131 N LEU A 16 24.784 -28.286 -0.637 1.00 0.94 N ATOM 132 CA LEU A 16 24.440 -27.240 0.312 1.00 0.94 C ATOM 133 C LEU A 16 23.499 -26.195 -0.271 1.00 0.94 C ATOM 134 O LEU A 16 22.514 -25.798 0.348 1.00 0.94 O ATOM 135 CB LEU A 16 25.726 -26.544 0.809 1.00 0.94 C ATOM 139 N ARG A 17 23.756 -25.758 -1.517 1.00 0.94 N ATOM 140 CA ARG A 17 22.894 -24.863 -2.255 1.00 0.94 C ATOM 141 C ARG A 17 21.516 -25.451 -2.539 1.00 0.94 C ATOM 142 O ARG A 17 20.498 -24.789 -2.356 1.00 0.94 O ATOM 143 CB ARG A 17 23.602 -24.483 -3.573 1.00 0.94 C ATOM 150 N LEU A 18 21.451 -26.734 -2.953 1.00 0.95 N ATOM 151 CA LEU A 18 20.218 -27.483 -3.139 1.00 0.95 C ATOM 152 C LEU A 18 19.416 -27.632 -1.851 1.00 0.95 C ATOM 153 O LEU A 18 18.205 -27.415 -1.828 1.00 0.95 O ATOM 154 CB LEU A 18 20.551 -28.888 -3.698 1.00 0.95 C ATOM 158 N VAL A 19 20.089 -27.960 -0.728 1.00 0.96 N ATOM 159 CA VAL A 19 19.506 -28.012 0.604 1.00 0.96 C ATOM 160 C VAL A 19 18.963 -26.654 1.021 1.00 0.96 C ATOM 161 O VAL A 19 17.816 -26.549 1.445 1.00 0.96 O ATOM 162 CB VAL A 19 20.522 -28.548 1.616 1.00 0.96 C ATOM 165 N ALA A 20 19.731 -25.562 0.824 1.00 0.95 N ATOM 166 CA ALA A 20 19.308 -24.203 1.100 1.00 0.95 C ATOM 167 C ALA A 20 18.086 -23.778 0.293 1.00 0.95 C ATOM 168 O ALA A 20 17.156 -23.181 0.835 1.00 0.95 O ATOM 169 CB ALA A 20 20.481 -23.230 0.857 1.00 0.95 C ATOM 170 N PHE A 21 18.021 -24.128 -1.011 1.00 0.96 N ATOM 171 CA PHE A 21 16.818 -23.955 -1.811 1.00 0.96 C ATOM 172 C PHE A 21 15.639 -24.750 -1.295 1.00 0.96 C ATOM 173 O PHE A 21 14.561 -24.196 -1.109 1.00 0.96 O ATOM 174 CB PHE A 21 17.030 -24.351 -3.292 1.00 0.96 C ATOM 181 N HIS A 22 15.813 -26.048 -0.980 1.00 0.94 N ATOM 182 CA HIS A 22 14.744 -26.852 -0.408 1.00 0.94 C ATOM 183 C HIS A 22 14.246 -26.324 0.924 1.00 0.94 C ATOM 184 O HIS A 22 13.044 -26.213 1.133 1.00 0.94 O ATOM 185 CB HIS A 22 15.133 -28.339 -0.259 1.00 0.94 C ATOM 191 N LEU A 23 15.143 -25.906 1.838 1.00 0.95 N ATOM 192 CA LEU A 23 14.772 -25.215 3.064 1.00 0.95 C ATOM 193 C LEU A 23 14.061 -23.898 2.812 1.00 0.95 C ATOM 194 O LEU A 23 13.074 -23.589 3.473 1.00 0.95 O ATOM 195 CB LEU A 23 15.984 -24.959 3.994 1.00 0.95 C ATOM 199 N GLY A 24 14.512 -23.098 1.827 1.00 0.94 N ATOM 200 CA GLY A 24 13.843 -21.863 1.441 1.00 0.94 C ATOM 201 C GLY A 24 12.455 -22.072 0.877 1.00 0.94 C ATOM 202 O GLY A 24 11.508 -21.402 1.281 1.00 0.94 O ATOM 203 N LEU A 25 12.277 -23.044 -0.039 1.00 0.94 N ATOM 204 CA LEU A 25 10.988 -23.441 -0.585 1.00 0.94 C ATOM 205 C LEU A 25 10.063 -24.003 0.475 1.00 0.94 C ATOM 206 O LEU A 25 8.900 -23.615 0.553 1.00 0.94 O ATOM 207 CB LEU A 25 11.134 -24.474 -1.733 1.00 0.94 C ATOM 211 N LEU A 26 10.567 -24.886 1.359 1.00 0.95 N ATOM 212 CA LEU A 26 9.821 -25.392 2.496 1.00 0.95 C ATOM 213 C LEU A 26 9.409 -24.299 3.457 1.00 0.95 C ATOM 214 O LEU A 26 8.264 -24.261 3.893 1.00 0.95 O ATOM 215 CB LEU A 26 10.630 -26.448 3.280 1.00 0.95 C ATOM 219 N PHE A 27 10.307 -23.349 3.778 1.00 0.94 N ATOM 220 CA PHE A 27 9.996 -22.197 4.600 1.00 0.94 C ATOM 221 C PHE A 27 8.922 -21.310 3.977 1.00 0.94 C ATOM 222 O PHE A 27 7.950 -20.957 4.635 1.00 0.94 O ATOM 223 CB PHE A 27 11.297 -21.389 4.854 1.00 0.94 C ATOM 230 N VAL A 28 9.032 -20.978 2.673 1.00 0.93 N ATOM 231 CA VAL A 28 8.018 -20.209 1.958 1.00 0.93 C ATOM 232 C VAL A 28 6.680 -20.930 1.907 1.00 0.93 C ATOM 233 O VAL A 28 5.642 -20.330 2.166 1.00 0.93 O ATOM 234 CB VAL A 28 8.477 -19.838 0.547 1.00 0.93 C ATOM 237 N TRP A 29 6.679 -22.246 1.615 1.00 0.94 N ATOM 238 CA TRP A 29 5.498 -23.093 1.625 1.00 0.94 C ATOM 239 C TRP A 29 4.833 -23.179 2.995 1.00 0.94 C ATOM 240 O TRP A 29 3.617 -23.150 3.100 1.00 0.94 O ATOM 241 CB TRP A 29 5.885 -24.520 1.137 1.00 0.94 C ATOM 251 N LEU A 30 5.634 -23.299 4.068 1.00 0.93 N ATOM 252 CA LEU A 30 5.185 -23.340 5.447 1.00 0.93 C ATOM 253 C LEU A 30 4.657 -22.019 6.001 1.00 0.93 C ATOM 254 O LEU A 30 3.787 -21.983 6.866 1.00 0.93 O ATOM 255 CB LEU A 30 6.370 -23.817 6.316 1.00 0.93 C ATOM 259 N CYS A 31 5.247 -20.895 5.551 1.00 0.88 N ATOM 260 CA CYS A 31 4.765 -19.544 5.791 1.00 0.88 C ATOM 261 C CYS A 31 3.469 -19.162 5.068 1.00 0.88 C ATOM 262 O CYS A 31 2.725 -18.318 5.564 1.00 0.88 O ATOM 263 CB CYS A 31 5.839 -18.492 5.405 1.00 0.88 C ATOM 265 N GLN A 32 3.239 -19.710 3.854 1.00 0.90 N ATOM 266 CA GLN A 32 1.988 -19.609 3.111 1.00 0.90 C ATOM 267 C GLN A 32 0.834 -20.504 3.661 1.00 0.90 C ATOM 268 O GLN A 32 1.053 -21.307 4.603 1.00 0.90 O ATOM 269 CB GLN A 32 2.209 -19.980 1.613 1.00 0.90 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

Constraints

# INVALID residue number # AtomPair CA 55 CA 75 HARMONIC 12.0 5.0

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