1 HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGAPPPS wt: 1 >query HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGAPPPS >exe1.pdb --------------------LFIEWLKNGGPSSGAPPP- ATOM 1 N LEU A 21 1.526 -3.408 -2.627 1.00 0.00 N ATOM 5 CA LEU A 21 1.019 -2.038 -2.388 1.00 0.00 C ATOM 7 CB LEU A 21 0.323 -1.567 -3.698 1.00 0.00 C ATOM 20 C LEU A 21 0.088 -2.045 -1.172 1.00 0.00 C ATOM 21 O LEU A 21 -0.735 -2.917 -0.896 1.00 0.00 O ATOM 22 N PHE A 22 0.297 -1.100 -0.257 1.00 0.00 N ATOM 24 CA PHE A 22 -0.370 -0.930 1.096 1.00 0.00 C ATOM 26 CB PHE A 22 0.462 -1.549 2.215 1.00 0.00 C ATOM 40 C PHE A 22 -0.711 0.573 1.308 1.00 0.00 C ATOM 41 O PHE A 22 0.019 1.434 0.804 1.00 0.00 O ATOM 42 N ILE A 23 -1.817 0.820 2.065 1.00 0.00 N ATOM 44 CA ILE A 23 -2.623 2.094 1.928 1.00 0.00 C ATOM 46 CB ILE A 23 -4.022 1.978 2.592 1.00 0.00 C ATOM 59 C ILE A 23 -1.893 3.325 2.490 1.00 0.00 C ATOM 60 O ILE A 23 -2.338 4.447 2.252 1.00 0.00 O ATOM 61 N GLU A 24 -0.691 3.070 3.079 1.00 0.00 N ATOM 63 CA GLU A 24 0.194 4.203 3.392 1.00 0.00 C ATOM 65 CB GLU A 24 1.343 3.691 4.317 1.00 0.00 C ATOM 74 C GLU A 24 0.810 4.970 2.145 1.00 0.00 C ATOM 75 O GLU A 24 1.509 5.952 2.279 1.00 0.00 O ATOM 76 N TRP A 25 0.359 4.541 0.919 1.00 0.00 N ATOM 78 CA TRP A 25 0.826 5.295 -0.267 1.00 0.00 C ATOM 80 CB TRP A 25 0.405 4.521 -1.533 1.00 0.00 C ATOM 98 C TRP A 25 0.364 6.753 -0.290 1.00 0.00 C ATOM 99 O TRP A 25 1.061 7.587 -0.874 1.00 0.00 O ATOM 100 N LEU A 26 -0.708 7.069 0.511 1.00 0.00 N ATOM 102 CA LEU A 26 -1.439 8.346 0.678 1.00 0.00 C ATOM 104 CB LEU A 26 -2.755 8.066 1.295 1.00 0.00 C ATOM 117 C LEU A 26 -0.652 9.351 1.526 1.00 0.00 C ATOM 118 O LEU A 26 -1.007 10.453 1.686 1.00 0.00 O ATOM 119 N LYS A 27 0.492 8.868 2.063 1.00 0.00 N ATOM 121 CA LYS A 27 1.396 9.576 2.943 1.00 0.00 C ATOM 123 CB LYS A 27 1.273 9.065 4.326 1.00 0.00 C ATOM 139 C LYS A 27 2.848 9.368 2.503 1.00 0.00 C ATOM 140 O LYS A 27 3.794 9.813 3.210 1.00 0.00 O ATOM 141 N ASN A 28 3.051 8.713 1.306 1.00 0.00 N ATOM 143 CA ASN A 28 4.360 8.294 0.798 1.00 0.00 C ATOM 145 CB ASN A 28 4.829 6.924 1.355 1.00 0.00 C ATOM 153 C ASN A 28 4.583 8.350 -0.663 1.00 0.00 C ATOM 154 O ASN A 28 5.447 7.734 -1.228 1.00 0.00 O ATOM 155 N GLY A 29 3.820 9.181 -1.387 1.00 0.00 N ATOM 157 CA GLY A 29 4.155 9.554 -2.778 1.00 0.00 C ATOM 160 C GLY A 29 3.501 8.616 -3.787 1.00 0.00 C ATOM 161 O GLY A 29 3.986 8.594 -4.920 1.00 0.00 O ATOM 162 N GLY A 30 2.487 7.810 -3.410 1.00 0.00 N ATOM 164 CA GLY A 30 1.784 6.879 -4.340 1.00 0.00 C ATOM 167 C GLY A 30 2.679 5.710 -4.729 1.00 0.00 C ATOM 168 O GLY A 30 3.780 5.530 -4.163 1.00 0.00 O ATOM 169 N PRO A 31 2.151 4.945 -5.699 1.00 0.00 N ATOM 176 CB PRO A 31 1.631 2.916 -6.822 1.00 0.00 C ATOM 179 CA PRO A 31 2.735 3.616 -5.988 1.00 0.00 C ATOM 181 C PRO A 31 4.022 3.638 -6.711 1.00 0.00 C ATOM 182 O PRO A 31 4.887 2.771 -6.466 1.00 0.00 O ATOM 183 N SER A 32 4.219 4.690 -7.533 1.00 0.00 N ATOM 185 CA SER A 32 5.558 4.866 -8.217 1.00 0.00 C ATOM 187 CB SER A 32 5.422 5.937 -9.265 1.00 0.00 C ATOM 192 C SER A 32 6.788 5.330 -7.286 1.00 0.00 C ATOM 193 O SER A 32 7.934 5.204 -7.608 1.00 0.00 O ATOM 194 N SER A 33 6.480 5.751 -6.098 1.00 0.00 N ATOM 196 CA SER A 33 7.466 6.360 -5.172 1.00 0.00 C ATOM 198 CB SER A 33 6.871 6.986 -3.955 1.00 0.00 C ATOM 203 C SER A 33 8.605 5.391 -4.685 1.00 0.00 C ATOM 204 O SER A 33 9.753 5.688 -4.401 1.00 0.00 O ATOM 205 N GLY A 34 8.235 4.068 -4.561 1.00 0.00 N ATOM 207 CA GLY A 34 9.135 3.010 -4.175 1.00 0.00 C ATOM 210 C GLY A 34 9.475 3.072 -2.726 1.00 0.00 C ATOM 211 O GLY A 34 10.424 2.401 -2.304 1.00 0.00 O ATOM 212 N ALA A 35 8.783 3.867 -1.897 1.00 0.00 N ATOM 214 CA ALA A 35 9.066 4.079 -0.497 1.00 0.00 C ATOM 216 CB ALA A 35 8.316 5.291 -0.023 1.00 0.00 C ATOM 220 C ALA A 35 8.762 2.753 0.360 1.00 0.00 C ATOM 221 O ALA A 35 7.879 1.956 -0.021 1.00 0.00 O ATOM 222 N PRO A 36 9.405 2.539 1.559 1.00 0.00 N ATOM 229 CB PRO A 36 10.213 1.281 3.576 1.00 0.00 C ATOM 232 CA PRO A 36 9.157 1.356 2.476 1.00 0.00 C ATOM 234 C PRO A 36 7.764 1.159 3.047 1.00 0.00 C ATOM 235 O PRO A 36 7.297 0.039 2.875 1.00 0.00 O ATOM 236 N PRO A 37 7.039 2.169 3.626 1.00 0.00 N ATOM 243 CB PRO A 37 5.267 3.387 4.699 1.00 0.00 C ATOM 246 CA PRO A 37 5.661 2.060 4.145 1.00 0.00 C ATOM 248 C PRO A 37 4.611 1.478 3.175 1.00 0.00 C ATOM 249 O PRO A 37 3.861 0.632 3.608 1.00 0.00 O ATOM 250 N PRO A 38 4.541 1.822 1.876 1.00 0.00 N ATOM 257 CB PRO A 38 3.222 2.497 -0.008 1.00 0.00 C ATOM 260 CA PRO A 38 3.477 1.288 0.948 1.00 0.00 C ATOM 262 C PRO A 38 3.880 0.052 0.139 1.00 0.00 C ATOM 263 O PRO A 38 3.075 -0.287 -0.710 1.00 0.00 O TER END wt: 1 >query HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGAPPPS >exe2.pdb --------------------LFIEWLKNGGPSSGAPPP- ATOM 1 N LEU A 21 0.143 -4.091 7.730 1.00 0.00 N ATOM 5 CA LEU A 21 -0.458 -2.989 8.438 1.00 0.00 C ATOM 7 CB LEU A 21 0.520 -2.566 9.491 1.00 0.00 C ATOM 20 C LEU A 21 -0.827 -1.773 7.623 1.00 0.00 C ATOM 21 O LEU A 21 -2.036 -1.523 7.593 1.00 0.00 O ATOM 22 N PHE A 22 0.043 -1.061 6.930 1.00 0.00 N ATOM 24 CA PHE A 22 -0.209 0.257 6.270 1.00 0.00 C ATOM 26 CB PHE A 22 1.106 1.020 6.405 1.00 0.00 C ATOM 40 C PHE A 22 -0.719 0.095 4.831 1.00 0.00 C ATOM 41 O PHE A 22 -0.441 -0.897 4.125 1.00 0.00 O ATOM 42 N ILE A 23 -1.544 1.092 4.436 1.00 0.00 N ATOM 44 CA ILE A 23 -1.929 1.282 3.036 1.00 0.00 C ATOM 46 CB ILE A 23 -3.427 0.855 2.895 1.00 0.00 C ATOM 59 C ILE A 23 -1.646 2.688 2.498 1.00 0.00 C ATOM 60 O ILE A 23 -1.810 2.898 1.344 1.00 0.00 O ATOM 61 N GLU A 24 -1.210 3.620 3.282 1.00 0.00 N ATOM 63 CA GLU A 24 -0.922 4.988 2.838 1.00 0.00 C ATOM 65 CB GLU A 24 -0.913 5.967 4.003 1.00 0.00 C ATOM 74 C GLU A 24 0.269 5.205 1.960 1.00 0.00 C ATOM 75 O GLU A 24 0.232 6.090 1.157 1.00 0.00 O ATOM 76 N TRP A 25 1.283 4.416 2.144 1.00 0.00 N ATOM 78 CA TRP A 25 2.317 4.412 1.074 1.00 0.00 C ATOM 80 CB TRP A 25 3.592 3.963 1.721 1.00 0.00 C ATOM 98 C TRP A 25 2.035 3.462 -0.089 1.00 0.00 C ATOM 99 O TRP A 25 2.303 3.803 -1.216 1.00 0.00 O ATOM 100 N LEU A 26 1.450 2.292 0.175 1.00 0.00 N ATOM 102 CA LEU A 26 1.196 1.264 -0.853 1.00 0.00 C ATOM 104 CB LEU A 26 0.682 0.020 -0.104 1.00 0.00 C ATOM 117 C LEU A 26 0.257 1.746 -2.020 1.00 0.00 C ATOM 118 O LEU A 26 0.391 1.359 -3.152 1.00 0.00 O ATOM 119 N LYS A 27 -0.741 2.552 -1.651 1.00 0.00 N ATOM 121 CA LYS A 27 -1.598 3.232 -2.664 1.00 0.00 C ATOM 123 CB LYS A 27 -2.805 3.923 -2.000 1.00 0.00 C ATOM 139 C LYS A 27 -0.836 4.315 -3.498 1.00 0.00 C ATOM 140 O LYS A 27 -0.882 4.262 -4.764 1.00 0.00 O ATOM 141 N ASN A 28 0.002 5.126 -2.898 1.00 0.00 N ATOM 143 CA ASN A 28 0.599 6.300 -3.526 1.00 0.00 C ATOM 145 CB ASN A 28 -0.057 7.471 -2.786 1.00 0.00 C ATOM 153 C ASN A 28 2.131 6.444 -3.515 1.00 0.00 C ATOM 154 O ASN A 28 2.681 6.627 -4.625 1.00 0.00 O ATOM 155 N GLY A 29 2.772 6.375 -2.328 1.00 0.00 N ATOM 157 CA GLY A 29 4.201 6.432 -2.373 1.00 0.00 C ATOM 160 C GLY A 29 4.851 5.188 -3.173 1.00 0.00 C ATOM 161 O GLY A 29 5.864 5.416 -3.833 1.00 0.00 O ATOM 162 N GLY A 30 4.215 4.006 -3.058 1.00 0.00 N ATOM 164 CA GLY A 30 4.688 2.782 -3.771 1.00 0.00 C ATOM 167 C GLY A 30 4.772 3.050 -5.338 1.00 0.00 C ATOM 168 O GLY A 30 5.880 3.216 -5.903 1.00 0.00 O ATOM 169 N PRO A 31 3.614 3.217 -6.003 1.00 0.00 N ATOM 176 CB PRO A 31 2.037 3.649 -7.710 1.00 0.00 C ATOM 179 CA PRO A 31 3.550 3.588 -7.405 1.00 0.00 C ATOM 181 C PRO A 31 4.349 4.857 -7.834 1.00 0.00 C ATOM 182 O PRO A 31 4.838 4.901 -9.001 1.00 0.00 O ATOM 183 N SER A 32 4.530 5.872 -6.979 1.00 0.00 N ATOM 185 CA SER A 32 5.270 7.093 -7.337 1.00 0.00 C ATOM 187 CB SER A 32 4.692 8.403 -6.657 1.00 0.00 C ATOM 192 C SER A 32 6.826 7.082 -7.089 1.00 0.00 C ATOM 193 O SER A 32 7.548 7.788 -7.831 1.00 0.00 O ATOM 194 N SER A 33 7.307 6.374 -6.016 1.00 0.00 N ATOM 196 CA SER A 33 8.701 6.383 -5.515 1.00 0.00 C ATOM 198 CB SER A 33 8.675 7.410 -4.416 1.00 0.00 C ATOM 203 C SER A 33 9.353 5.073 -5.058 1.00 0.00 C ATOM 204 O SER A 33 10.532 5.016 -4.641 1.00 0.00 O ATOM 205 N GLY A 34 8.612 3.961 -4.985 1.00 0.00 N ATOM 207 CA GLY A 34 9.083 2.564 -4.835 1.00 0.00 C ATOM 210 C GLY A 34 9.314 1.863 -6.163 1.00 0.00 C ATOM 211 O GLY A 34 10.477 1.649 -6.504 1.00 0.00 O ATOM 212 N ALA A 35 8.286 1.722 -6.983 1.00 0.00 N ATOM 214 CA ALA A 35 8.285 0.971 -8.226 1.00 0.00 C ATOM 216 CB ALA A 35 6.808 0.562 -8.531 1.00 0.00 C ATOM 220 C ALA A 35 8.857 1.692 -9.470 1.00 0.00 C ATOM 221 O ALA A 35 9.331 0.975 -10.373 1.00 0.00 O ATOM 222 N PRO A 36 8.802 2.976 -9.669 1.00 0.00 N ATOM 229 CB PRO A 36 9.019 5.057 -10.988 1.00 0.00 C ATOM 232 CA PRO A 36 9.376 3.538 -10.885 1.00 0.00 C ATOM 234 C PRO A 36 10.814 3.267 -11.113 1.00 0.00 C ATOM 235 O PRO A 36 11.151 2.942 -12.227 1.00 0.00 O ATOM 236 N PRO A 37 11.777 3.439 -10.171 1.00 0.00 N ATOM 243 CB PRO A 37 13.871 3.677 -9.068 1.00 0.00 C ATOM 246 CA PRO A 37 13.168 3.156 -10.330 1.00 0.00 C ATOM 248 C PRO A 37 13.402 1.704 -10.701 1.00 0.00 C ATOM 249 O PRO A 37 14.017 1.554 -11.785 1.00 0.00 O ATOM 250 N PRO A 38 12.757 0.692 -10.090 1.00 0.00 N ATOM 257 CB PRO A 38 12.736 -1.567 -9.277 1.00 0.00 C ATOM 260 CA PRO A 38 12.786 -0.708 -10.597 1.00 0.00 C ATOM 262 C PRO A 38 11.753 -0.936 -11.625 1.00 0.00 C ATOM 263 O PRO A 38 10.830 -1.765 -11.356 1.00 0.00 O TER END wt: 1 >query HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGAPPPS >exe3.pdb --------------------LFIEWLKNGGPSSGAPPP- ATOM 1 N LEU A 21 5.338 -3.008 4.397 1.00 0.00 N ATOM 5 CA LEU A 21 4.407 -2.143 3.657 1.00 0.00 C ATOM 7 CB LEU A 21 4.596 -2.273 2.112 1.00 0.00 C ATOM 20 C LEU A 21 2.986 -2.264 4.076 1.00 0.00 C ATOM 21 O LEU A 21 2.381 -3.150 3.493 1.00 0.00 O ATOM 22 N PHE A 22 2.450 -1.450 5.020 1.00 0.00 N ATOM 24 CA PHE A 22 0.955 -1.443 5.039 1.00 0.00 C ATOM 26 CB PHE A 22 0.451 -0.602 6.178 1.00 0.00 C ATOM 40 C PHE A 22 0.256 -1.136 3.732 1.00 0.00 C ATOM 41 O PHE A 22 0.750 -0.337 2.969 1.00 0.00 O ATOM 42 N ILE A 23 -0.879 -1.736 3.378 1.00 0.00 N ATOM 44 CA ILE A 23 -1.584 -1.488 2.110 1.00 0.00 C ATOM 46 CB ILE A 23 -2.913 -2.280 2.083 1.00 0.00 C ATOM 59 C ILE A 23 -1.754 0.007 1.641 1.00 0.00 C ATOM 60 O ILE A 23 -1.821 0.243 0.450 1.00 0.00 O ATOM 61 N GLU A 24 -1.957 0.932 2.540 1.00 0.00 N ATOM 63 CA GLU A 24 -2.414 2.294 2.321 1.00 0.00 C ATOM 65 CB GLU A 24 -3.146 2.791 3.583 1.00 0.00 C ATOM 74 C GLU A 24 -1.413 3.399 1.718 1.00 0.00 C ATOM 75 O GLU A 24 -1.625 4.573 1.986 1.00 0.00 O ATOM 76 N TRP A 25 -0.324 2.941 1.112 1.00 0.00 N ATOM 78 CA TRP A 25 0.713 3.787 0.539 1.00 0.00 C ATOM 80 CB TRP A 25 1.903 2.865 0.052 1.00 0.00 C ATOM 98 C TRP A 25 0.325 4.701 -0.611 1.00 0.00 C ATOM 99 O TRP A 25 0.985 5.766 -0.941 1.00 0.00 O ATOM 100 N LEU A 26 -0.783 4.386 -1.302 1.00 0.00 N ATOM 102 CA LEU A 26 -1.295 5.244 -2.401 1.00 0.00 C ATOM 104 CB LEU A 26 -2.074 4.282 -3.359 1.00 0.00 C ATOM 117 C LEU A 26 -2.091 6.413 -1.896 1.00 0.00 C ATOM 118 O LEU A 26 -1.839 7.544 -2.374 1.00 0.00 O ATOM 119 N LYS A 27 -3.032 6.178 -0.918 1.00 0.00 N ATOM 121 CA LYS A 27 -3.632 7.282 -0.177 1.00 0.00 C ATOM 123 CB LYS A 27 -4.473 6.794 0.986 1.00 0.00 C ATOM 139 C LYS A 27 -2.570 8.215 0.362 1.00 0.00 C ATOM 140 O LYS A 27 -2.610 9.427 0.187 1.00 0.00 O ATOM 141 N ASN A 28 -1.517 7.671 0.987 1.00 0.00 N ATOM 143 CA ASN A 28 -0.433 8.496 1.666 1.00 0.00 C ATOM 145 CB ASN A 28 -1.047 8.978 2.972 1.00 0.00 C ATOM 153 C ASN A 28 0.896 7.728 1.817 1.00 0.00 C ATOM 154 O ASN A 28 0.772 6.723 2.417 1.00 0.00 O ATOM 155 N GLY A 29 2.026 8.251 1.449 1.00 0.00 N ATOM 157 CA GLY A 29 3.316 7.568 1.528 1.00 0.00 C ATOM 160 C GLY A 29 3.766 7.004 0.227 1.00 0.00 C ATOM 161 O GLY A 29 3.590 7.623 -0.825 1.00 0.00 O ATOM 162 N GLY A 30 4.518 5.890 0.305 1.00 0.00 N ATOM 164 CA GLY A 30 5.222 5.264 -0.825 1.00 0.00 C ATOM 167 C GLY A 30 5.756 3.859 -0.528 1.00 0.00 C ATOM 168 O GLY A 30 6.178 3.542 0.577 1.00 0.00 O ATOM 169 N PRO A 31 5.781 3.030 -1.627 1.00 0.00 N ATOM 176 CB PRO A 31 6.211 1.120 -2.962 1.00 0.00 C ATOM 179 CA PRO A 31 6.271 1.660 -1.507 1.00 0.00 C ATOM 181 C PRO A 31 7.705 1.400 -0.927 1.00 0.00 C ATOM 182 O PRO A 31 7.876 0.412 -0.262 1.00 0.00 O ATOM 183 N SER A 32 8.686 2.320 -1.139 1.00 0.00 N ATOM 185 CA SER A 32 10.017 2.249 -0.529 1.00 0.00 C ATOM 187 CB SER A 32 11.041 2.726 -1.549 1.00 0.00 C ATOM 192 C SER A 32 10.066 3.267 0.724 1.00 0.00 C ATOM 193 O SER A 32 11.017 3.353 1.449 1.00 0.00 O ATOM 194 N SER A 33 9.005 4.026 1.007 1.00 0.00 N ATOM 196 CA SER A 33 8.776 4.889 2.202 1.00 0.00 C ATOM 198 CB SER A 33 7.860 6.046 1.837 1.00 0.00 C ATOM 203 C SER A 33 8.071 4.234 3.415 1.00 0.00 C ATOM 204 O SER A 33 8.219 4.628 4.539 1.00 0.00 O ATOM 205 N GLY A 34 7.315 3.159 3.254 1.00 0.00 N ATOM 207 CA GLY A 34 6.183 2.710 4.134 1.00 0.00 C ATOM 210 C GLY A 34 4.992 3.702 4.121 1.00 0.00 C ATOM 211 O GLY A 34 4.914 4.709 3.406 1.00 0.00 O ATOM 212 N ALA A 35 3.999 3.341 4.976 1.00 0.00 N ATOM 214 CA ALA A 35 2.756 4.023 4.928 1.00 0.00 C ATOM 216 CB ALA A 35 1.715 2.945 4.576 1.00 0.00 C ATOM 220 C ALA A 35 2.398 4.572 6.273 1.00 0.00 C ATOM 221 O ALA A 35 2.191 3.768 7.177 1.00 0.00 O ATOM 222 N PRO A 36 2.280 5.899 6.438 1.00 0.00 N ATOM 229 CB PRO A 36 2.166 8.083 7.356 1.00 0.00 C ATOM 232 CA PRO A 36 2.046 6.602 7.721 1.00 0.00 C ATOM 234 C PRO A 36 0.781 6.257 8.489 1.00 0.00 C ATOM 235 O PRO A 36 0.801 6.271 9.720 1.00 0.00 O ATOM 236 N PRO A 37 -0.384 6.118 7.881 1.00 0.00 N ATOM 243 CB PRO A 37 -2.825 5.823 7.526 1.00 0.00 C ATOM 246 CA PRO A 37 -1.738 6.037 8.586 1.00 0.00 C ATOM 248 C PRO A 37 -1.954 5.038 9.734 1.00 0.00 C ATOM 249 O PRO A 37 -2.709 5.467 10.641 1.00 0.00 O ATOM 250 N PRO A 38 -1.258 3.858 9.760 1.00 0.00 N ATOM 257 CB PRO A 38 -0.361 1.654 10.527 1.00 0.00 C ATOM 260 CA PRO A 38 -1.238 2.907 10.905 1.00 0.00 C ATOM 262 C PRO A 38 -0.782 3.603 12.163 1.00 0.00 C ATOM 263 O PRO A 38 0.336 4.126 12.128 1.00 0.00 O TER END