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ID	765	NAME	CA(I-8)M(I-10)   Blast NCBI-PROT
LENGTH	18	DISULFIDE BRIDGE			View PDB REMARK YASARA ************************************************************* REMARK YASARA * * REMARK YASARA * Y A S A R A * REMARK YASARA * * REMARK YASARA * Yet Another Scientific Artificial Reality Application * REMARK YASARA * * REMARK YASARA * MOLECULE STRUCTURE FILE, PDB FORMAT * REMARK YASARA * * REMARK YASARA * Just use YASARA every day to make your questions go away! * REMARK YASARA * * REMARK YASARA * www.YASARA.org * REMARK YASARA * * REMARK YASARA ************************************************************* REMARK YASARA REMARK YASARA Original filename: C:\Users\federica\Favorites\Dropbox\lab13\Lucia\pdb_yadamp\risultati_grimd_abalone\pdb_final\KWKLFKKIGIGAVLKVLT.pdb REMARK YASARA Written on: Mon May 19 17:11:57 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 322 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 18 LYS TRP LYS LEU PHE LYS LYS ILE GLY ILE GLY ALA VAL SEQRES 2 18 LEU LYS VAL LEU THR ATOM 1 N LYS 1 -11.740 -5.572 16.413 1.00 -0.35 N ATOM 2 1H LYS 1 -11.924 -4.618 16.136 1.00 -0.35 H ATOM 3 2H LYS 1 -12.442 -5.867 17.081 1.00 -0.35 H ATOM 4 3H LYS 1 -10.832 -5.630 16.854 1.00 0.28 H ATOM 5 CA LYS 1 -11.778 -6.473 15.219 1.00 -0.24 C ATOM 6 HA LYS 1 -12.773 -6.429 14.776 1.00 0.14 H ATOM 7 C LYS 1 -11.525 -7.901 15.675 1.00 0.73 C ATOM 8 O LYS 1 -10.984 -8.066 16.760 1.00 -0.59 O ATOM 9 CB LYS 1 -10.737 -6.044 14.168 1.00 -0.01 C ATOM 10 1HB LYS 1 -9.751 -6.034 14.634 1.00 0.04 H ATOM 11 2HB LYS 1 -10.730 -6.794 13.377 1.00 0.04 H ATOM 12 CG LYS 1 -10.993 -4.668 13.512 1.00 0.02 C ATOM 13 1HG LYS 1 -12.008 -4.655 13.114 1.00 0.01 H ATOM 14 2HG LYS 1 -10.894 -3.879 14.258 1.00 0.01 H ATOM 15 CD LYS 1 -10.009 -4.407 12.355 1.00 -0.05 C ATOM 16 1HD LYS 1 -8.988 -4.404 12.740 1.00 0.06 H ATOM 17 2HD LYS 1 -10.101 -5.230 11.644 1.00 0.06 H ATOM 18 CE LYS 1 -10.261 -3.093 11.578 1.00 -0.01 C ATOM 19 1HE LYS 1 -9.678 -3.140 10.654 1.00 0.11 H ATOM 20 2HE LYS 1 -11.315 -3.055 11.292 1.00 0.11 H ATOM 21 NZ LYS 1 -9.897 -1.805 12.284 1.00 -0.38 N ATOM 22 1HZ LYS 1 -10.449 -1.692 13.122 1.00 0.17 H ATOM 23 2HZ LYS 1 -8.914 -1.804 12.524 1.00 0.17 H ATOM 24 3HZ LYS 1 -10.075 -1.018 11.669 1.00 0.17 H ATOM 25 N TRP 2 -11.912 -8.920 14.916 1.00 -0.42 N ATOM 26 H TRP 2 -12.230 -8.778 13.968 1.00 0.27 H ATOM 27 CA TRP 2 -12.032 -10.279 15.463 1.00 -0.03 C ATOM 28 HA TRP 2 -12.747 -10.224 16.282 1.00 0.11 H ATOM 29 C TRP 2 -10.781 -10.925 16.064 1.00 0.60 C ATOM 30 O TRP 2 -10.896 -11.647 17.047 1.00 -0.57 O ATOM 31 CB TRP 2 -12.638 -11.215 14.412 1.00 -0.00 C ATOM 32 1HB TRP 2 -12.898 -12.155 14.901 1.00 0.03 H ATOM 33 2HB TRP 2 -13.556 -10.769 14.030 1.00 0.03 H ATOM 34 CG TRP 2 -11.731 -11.525 13.250 1.00 -0.14 C ATOM 35 CD1 TRP 2 -11.664 -10.876 12.053 1.00 -0.16 C ATOM 36 HD1 TRP 2 -12.283 -10.032 11.779 1.00 0.21 H ATOM 37 CD2 TRP 2 -10.791 -12.614 13.145 1.00 0.12 C ATOM 38 NE1 TRP 2 -10.741 -11.452 11.222 1.00 -0.34 N ATOM 39 HE1 TRP 2 -10.555 -11.155 10.272 1.00 0.34 H ATOM 40 CE2 TRP 2 -10.175 -12.518 11.864 1.00 0.14 C ATOM 41 CE3 TRP 2 -10.417 -13.672 14.001 1.00 -0.24 C ATOM 42 HE3 TRP 2 -10.882 -13.780 14.970 1.00 0.17 H ATOM 43 CZ2 TRP 2 -9.197 -13.436 11.427 1.00 -0.26 C ATOM 44 HZ2 TRP 2 -8.753 -13.347 10.446 1.00 0.16 H ATOM 45 CZ3 TRP 2 -9.442 -14.605 13.560 1.00 -0.20 C ATOM 46 HZ3 TRP 2 -9.165 -15.435 14.192 1.00 0.14 H ATOM 47 CH2 TRP 2 -8.840 -14.470 12.274 1.00 -0.11 C ATOM 48 HH2 TRP 2 -8.105 -15.194 11.950 1.00 0.14 H ATOM 49 N LYS 3 -9.585 -10.635 15.559 1.00 -0.35 N ATOM 50 H LYS 3 -9.514 -10.056 14.740 1.00 0.28 H ATOM 51 CA LYS 3 -8.372 -11.208 16.159 1.00 -0.24 C ATOM 52 HA LYS 3 -8.503 -12.289 16.217 1.00 0.14 H ATOM 53 C LYS 3 -8.149 -10.717 17.586 1.00 0.73 C ATOM 54 O LYS 3 -7.645 -11.451 18.425 1.00 -0.59 O ATOM 55 CB LYS 3 -7.119 -10.920 15.321 1.00 -0.01 C ATOM 56 1HB LYS 3 -6.997 -9.842 15.213 1.00 0.04 H ATOM 57 2HB LYS 3 -6.260 -11.313 15.866 1.00 0.04 H ATOM 58 CG LYS 3 -7.144 -11.571 13.938 1.00 0.02 C ATOM 59 1HG LYS 3 -7.511 -12.589 14.057 1.00 0.01 H ATOM 60 2HG LYS 3 -7.834 -11.027 13.294 1.00 0.01 H ATOM 61 CD LYS 3 -5.769 -11.654 13.259 1.00 -0.05 C ATOM 62 1HD LYS 3 -5.078 -12.165 13.931 1.00 0.06 H ATOM 63 2HD LYS 3 -5.875 -12.256 12.355 1.00 0.06 H ATOM 64 CE LYS 3 -5.173 -10.296 12.871 1.00 -0.01 C ATOM 65 1HE LYS 3 -5.885 -9.765 12.236 1.00 0.11 H ATOM 66 2HE LYS 3 -4.999 -9.707 13.774 1.00 0.11 H ATOM 67 NZ LYS 3 -3.869 -10.457 12.127 1.00 -0.38 N ATOM 68 1HZ LYS 3 -3.195 -10.938 12.708 1.00 0.17 H ATOM 69 2HZ LYS 3 -4.016 -10.992 11.281 1.00 0.17 H ATOM 70 3HZ LYS 3 -3.496 -9.549 11.880 1.00 0.17 H ATOM 71 N LEU 4 -8.557 -9.488 17.864 1.00 -0.42 N ATOM 72 H LEU 4 -8.972 -8.926 17.142 1.00 0.27 H ATOM 73 CA LEU 4 -8.461 -8.938 19.213 1.00 -0.05 C ATOM 74 HA LEU 4 -7.529 -9.271 19.671 1.00 0.09 H ATOM 75 C LEU 4 -9.627 -9.441 20.053 1.00 0.60 C ATOM 76 O LEU 4 -9.472 -9.750 21.228 1.00 -0.57 O ATOM 77 CB LEU 4 -8.482 -7.406 19.162 1.00 -0.11 C ATOM 78 1HB LEU 4 -7.702 -7.080 18.474 1.00 0.05 H ATOM 79 2HB LEU 4 -9.442 -7.094 18.756 1.00 0.05 H ATOM 80 CG LEU 4 -8.277 -6.667 20.496 1.00 0.35 C ATOM 81 HG LEU 4 -9.058 -6.978 21.187 1.00 -0.04 H ATOM 82 CD1 LEU 4 -6.918 -6.966 21.133 1.00 -0.41 C ATOM 83 1HD1 LEU 4 -6.792 -6.357 22.030 1.00 0.10 H ATOM 84 2HD1 LEU 4 -6.865 -8.013 21.427 1.00 0.10 H ATOM 85 3HD1 LEU 4 -6.111 -6.737 20.436 1.00 0.10 H ATOM 86 CD2 LEU 4 -8.421 -5.166 20.270 1.00 -0.41 C ATOM 87 1HD2 LEU 4 -9.409 -4.938 19.876 1.00 0.10 H ATOM 88 2HD2 LEU 4 -8.309 -4.645 21.224 1.00 0.10 H ATOM 89 3HD2 LEU 4 -7.653 -4.806 19.584 1.00 0.10 H ATOM 90 N PHE 5 -10.798 -9.571 19.446 1.00 -0.42 N ATOM 91 H PHE 5 -10.892 -9.332 18.470 1.00 0.27 H ATOM 92 CA PHE 5 -11.970 -10.035 20.186 1.00 -0.00 C ATOM 93 HA PHE 5 -12.101 -9.401 21.063 1.00 0.10 H ATOM 94 C PHE 5 -11.771 -11.460 20.692 1.00 0.60 C ATOM 95 O PHE 5 -12.056 -11.745 21.847 1.00 -0.57 O ATOM 96 CB PHE 5 -13.243 -9.972 19.336 1.00 -0.03 C ATOM 97 1HB PHE 5 -13.120 -10.620 18.470 1.00 0.03 H ATOM 98 2HB PHE 5 -14.068 -10.364 19.933 1.00 0.03 H ATOM 99 CG PHE 5 -13.625 -8.584 18.859 1.00 0.01 C ATOM 100 CD1 PHE 5 -14.387 -8.453 17.682 1.00 -0.13 C ATOM 101 HD1 PHE 5 -14.662 -9.336 17.121 1.00 0.13 H ATOM 102 CD2 PHE 5 -13.304 -7.418 19.590 1.00 -0.13 C ATOM 103 HD2 PHE 5 -12.736 -7.479 20.508 1.00 0.13 H ATOM 104 CE1 PHE 5 -14.843 -7.186 17.240 1.00 -0.17 C ATOM 105 HE1 PHE 5 -15.455 -7.110 16.352 1.00 0.14 H ATOM 106 CE2 PHE 5 -13.749 -6.143 19.157 1.00 -0.17 C ATOM 107 HE2 PHE 5 -13.517 -5.263 19.742 1.00 0.14 H ATOM 108 CZ PHE 5 -14.534 -6.029 17.988 1.00 -0.11 C ATOM 109 HZ PHE 5 -14.914 -5.064 17.680 1.00 0.13 H ATOM 110 N LYS 6 -11.189 -12.341 19.889 1.00 -0.35 N ATOM 111 H LYS 6 -10.962 -12.091 18.929 1.00 0.28 H ATOM 112 CA LYS 6 -10.913 -13.697 20.372 1.00 -0.24 C ATOM 113 HA LYS 6 -11.804 -14.042 20.900 1.00 0.14 H ATOM 114 C LYS 6 -9.756 -13.760 21.370 1.00 0.73 C ATOM 115 O LYS 6 -9.518 -14.798 21.969 1.00 -0.59 O ATOM 116 CB LYS 6 -10.675 -14.666 19.209 1.00 -0.01 C ATOM 117 1HB LYS 6 -10.765 -15.679 19.604 1.00 0.04 H ATOM 118 2HB LYS 6 -11.459 -14.522 18.466 1.00 0.04 H ATOM 119 CG LYS 6 -9.316 -14.556 18.532 1.00 0.02 C ATOM 120 1HG LYS 6 -9.193 -13.565 18.103 1.00 0.01 H ATOM 121 2HG LYS 6 -8.540 -14.722 19.277 1.00 0.01 H ATOM 122 CD LYS 6 -9.185 -15.605 17.437 1.00 -0.05 C ATOM 123 1HD LYS 6 -9.504 -16.573 17.826 1.00 0.06 H ATOM 124 2HD LYS 6 -9.836 -15.332 16.607 1.00 0.06 H ATOM 125 CE LYS 6 -7.746 -15.729 16.943 1.00 -0.01 C ATOM 126 1HE LYS 6 -7.734 -16.359 16.051 1.00 0.11 H ATOM 127 2HE LYS 6 -7.371 -14.738 16.681 1.00 0.11 H ATOM 128 NZ LYS 6 -6.865 -16.351 18.000 1.00 -0.38 N ATOM 129 1HZ LYS 6 -6.868 -15.774 18.831 1.00 0.17 H ATOM 130 2HZ LYS 6 -7.215 -17.269 18.241 1.00 0.17 H ATOM 131 3HZ LYS 6 -5.918 -16.439 17.657 1.00 0.17 H ATOM 132 N LYS 7 -9.017 -12.667 21.526 1.00 -0.35 N ATOM 133 H LYS 7 -9.241 -11.843 20.990 1.00 0.28 H ATOM 134 CA LYS 7 -7.899 -12.611 22.471 1.00 -0.24 C ATOM 135 HA LYS 7 -7.524 -13.623 22.632 1.00 0.14 H ATOM 136 C LYS 7 -8.322 -12.059 23.830 1.00 0.73 C ATOM 137 O LYS 7 -7.888 -12.574 24.851 1.00 -0.59 O ATOM 138 CB LYS 7 -6.766 -11.749 21.900 1.00 -0.01 C ATOM 139 1HB LYS 7 -6.544 -12.086 20.887 1.00 0.04 H ATOM 140 2HB LYS 7 -7.101 -10.714 21.854 1.00 0.04 H ATOM 141 CG LYS 7 -5.484 -11.808 22.723 1.00 0.02 C ATOM 142 1HG LYS 7 -5.717 -11.553 23.755 1.00 0.01 H ATOM 143 2HG LYS 7 -5.086 -12.822 22.691 1.00 0.01 H ATOM 144 CD LYS 7 -4.432 -10.834 22.211 1.00 -0.05 C ATOM 145 1HD LYS 7 -4.230 -11.047 21.160 1.00 0.06 H ATOM 146 2HD LYS 7 -4.814 -9.815 22.297 1.00 0.06 H ATOM 147 CE LYS 7 -3.129 -10.956 23.007 1.00 -0.01 C ATOM 148 1HE LYS 7 -2.741 -11.971 22.888 1.00 0.11 H ATOM 149 2HE LYS 7 -2.397 -10.260 22.590 1.00 0.11 H ATOM 150 NZ LYS 7 -3.306 -10.665 24.477 1.00 -0.38 N ATOM 151 1HZ LYS 7 -3.644 -9.721 24.604 1.00 0.17 H ATOM 152 2HZ LYS 7 -3.976 -11.311 24.877 1.00 0.17 H ATOM 153 3HZ LYS 7 -2.422 -10.769 24.958 1.00 0.17 H ATOM 154 N ILE 8 -9.108 -10.988 23.845 1.00 -0.42 N ATOM 155 H ILE 8 -9.389 -10.568 22.966 1.00 0.27 H ATOM 156 CA ILE 8 -9.501 -10.338 25.106 1.00 -0.06 C ATOM 157 HA ILE 8 -9.163 -10.971 25.925 1.00 0.09 H ATOM 158 C ILE 8 -11.004 -10.157 25.322 1.00 0.60 C ATOM 159 O ILE 8 -11.442 -9.952 26.449 1.00 -0.57 O ATOM 160 CB ILE 8 -8.800 -8.952 25.292 1.00 0.13 C ATOM 161 HB ILE 8 -9.069 -8.576 26.280 1.00 0.02 H ATOM 162 CG1 ILE 8 -9.278 -7.927 24.243 1.00 -0.04 C ATOM 163 1HG1 ILE 8 -8.892 -8.218 23.269 1.00 0.02 H ATOM 164 2HG1 ILE 8 -10.364 -7.946 24.194 1.00 0.02 H ATOM 165 CG2 ILE 8 -7.255 -9.115 25.246 1.00 -0.32 C ATOM 166 1HG2 ILE 8 -6.929 -9.327 24.229 1.00 0.09 H ATOM 167 2HG2 ILE 8 -6.780 -8.198 25.595 1.00 0.09 H ATOM 168 3HG2 ILE 8 -6.957 -9.932 25.905 1.00 0.09 H ATOM 169 CD1 ILE 8 -8.862 -6.475 24.513 1.00 -0.07 C ATOM 170 1HD1 ILE 8 -7.778 -6.372 24.463 1.00 0.02 H ATOM 171 2HD1 ILE 8 -9.311 -5.826 23.762 1.00 0.02 H ATOM 172 3HD1 ILE 8 -9.212 -6.166 25.500 1.00 0.02 H ATOM 173 N GLY 9 -11.817 -10.288 24.282 1.00 -0.42 N ATOM 174 H GLY 9 -11.455 -10.518 23.366 1.00 0.27 H ATOM 175 CA GLY 9 -13.258 -10.134 24.436 1.00 -0.03 C ATOM 176 1HA GLY 9 -13.471 -9.251 25.039 1.00 0.07 H ATOM 177 2HA GLY 9 -13.727 -10.031 23.458 1.00 0.07 H ATOM 178 C GLY 9 -13.816 -11.356 25.132 1.00 0.60 C ATOM 179 O GLY 9 -14.830 -11.320 25.825 1.00 -0.57 O ATOM 180 N ILE 10 -13.054 -12.436 25.038 1.00 -0.42 N ATOM 181 H ILE 10 -12.239 -12.404 24.446 1.00 0.27 H ATOM 182 CA ILE 10 -13.329 -13.671 25.767 1.00 -0.06 C ATOM 183 HA ILE 10 -14.348 -13.982 25.538 1.00 0.09 H ATOM 184 C ILE 10 -13.252 -13.476 27.282 1.00 0.60 C ATOM 185 O ILE 10 -13.784 -14.289 28.033 1.00 -0.57 O ATOM 186 CB ILE 10 -12.359 -14.804 25.320 1.00 0.13 C ATOM 187 HB ILE 10 -12.625 -15.710 25.866 1.00 0.02 H ATOM 188 CG1 ILE 10 -10.894 -14.442 25.648 1.00 -0.04 C ATOM 189 1HG1 ILE 10 -10.583 -13.616 25.009 1.00 0.02 H ATOM 190 2HG1 ILE 10 -10.833 -14.108 26.682 1.00 0.02 H ATOM 191 CG2 ILE 10 -12.546 -15.076 23.806 1.00 -0.32 C ATOM 192 1HG2 ILE 10 -13.597 -15.276 23.591 1.00 0.09 H ATOM 193 2HG2 ILE 10 -12.215 -14.224 23.213 1.00 0.09 H ATOM 194 3HG2 ILE 10 -11.966 -15.953 23.513 1.00 0.09 H ATOM 195 CD1 ILE 10 -9.882 -15.580 25.485 1.00 -0.07 C ATOM 196 1HD1 ILE 10 -10.174 -16.430 26.102 1.00 0.02 H ATOM 197 2HD1 ILE 10 -9.824 -15.889 24.441 1.00 0.02 H ATOM 198 3HD1 ILE 10 -8.898 -15.232 25.800 1.00 0.02 H ATOM 199 N GLY 11 -12.679 -12.367 27.745 1.00 -0.42 N ATOM 200 H GLY 11 -12.283 -11.691 27.100 1.00 0.27 H ATOM 201 CA GLY 11 -12.626 -12.068 29.167 1.00 -0.03 C ATOM 202 1HA GLY 11 -12.110 -12.873 29.682 1.00 0.07 H ATOM 203 2HA GLY 11 -12.066 -11.144 29.315 1.00 0.07 H ATOM 204 C GLY 11 -14.007 -11.908 29.771 1.00 0.60 C ATOM 205 O GLY 11 -14.200 -12.122 30.969 1.00 -0.57 O ATOM 206 N ALA 12 -14.990 -11.601 28.931 1.00 -0.42 N ATOM 207 H ALA 12 -14.781 -11.458 27.947 1.00 0.27 H ATOM 208 CA ALA 12 -16.375 -11.486 29.370 1.00 0.03 C ATOM 209 HA ALA 12 -16.429 -10.703 30.126 1.00 0.08 H ATOM 210 C ALA 12 -16.884 -12.786 30.004 1.00 0.60 C ATOM 211 O ALA 12 -17.632 -12.732 30.981 1.00 -0.57 O ATOM 212 CB ALA 12 -17.257 -11.084 28.183 1.00 -0.18 C ATOM 213 1HB ALA 12 -18.293 -10.979 28.510 1.00 0.06 H ATOM 214 2HB ALA 12 -16.916 -10.132 27.771 1.00 0.06 H ATOM 215 3HB ALA 12 -17.207 -11.845 27.401 1.00 0.06 H ATOM 216 N VAL 13 -16.461 -13.932 29.486 1.00 -0.42 N ATOM 217 H VAL 13 -15.837 -13.923 28.689 1.00 0.27 H ATOM 218 CA VAL 13 -16.866 -15.225 30.048 1.00 -0.09 C ATOM 219 HA VAL 13 -17.669 -15.056 30.764 1.00 0.10 H ATOM 220 C VAL 13 -15.738 -15.893 30.824 1.00 0.60 C ATOM 221 O VAL 13 -15.991 -16.618 31.772 1.00 -0.57 O ATOM 222 CB VAL 13 -17.430 -16.188 28.962 1.00 0.30 C ATOM 223 HB VAL 13 -17.704 -17.124 29.447 1.00 -0.03 H ATOM 224 CG1 VAL 13 -18.695 -15.589 28.330 1.00 -0.32 C ATOM 225 1HG1 VAL 13 -19.424 -15.363 29.110 1.00 0.08 H ATOM 226 2HG1 VAL 13 -18.460 -14.677 27.781 1.00 0.08 H ATOM 227 3HG1 VAL 13 -19.138 -16.313 27.645 1.00 0.08 H ATOM 228 CG2 VAL 13 -16.404 -16.496 27.852 1.00 -0.32 C ATOM 229 1HG2 VAL 13 -15.512 -16.954 28.279 1.00 0.08 H ATOM 230 2HG2 VAL 13 -16.840 -17.203 27.143 1.00 0.08 H ATOM 231 3HG2 VAL 13 -16.126 -15.590 27.314 1.00 0.08 H ATOM 232 N LEU 14 -14.489 -15.603 30.486 1.00 -0.42 N ATOM 233 H LEU 14 -14.305 -14.980 29.706 1.00 0.27 H ATOM 234 CA LEU 14 -13.351 -16.218 31.167 1.00 -0.05 C ATOM 235 HA LEU 14 -13.438 -17.299 31.082 1.00 0.09 H ATOM 236 C LEU 14 -13.329 -15.873 32.649 1.00 0.60 C ATOM 237 O LEU 14 -12.965 -16.698 33.465 1.00 -0.57 O ATOM 238 CB LEU 14 -12.045 -15.776 30.502 1.00 -0.11 C ATOM 239 1HB LEU 14 -12.141 -15.952 29.432 1.00 0.05 H ATOM 240 2HB LEU 14 -11.944 -14.705 30.659 1.00 0.05 H ATOM 241 CG LEU 14 -10.736 -16.433 30.967 1.00 0.35 C ATOM 242 HG LEU 14 -10.600 -16.231 32.028 1.00 -0.04 H ATOM 243 CD1 LEU 14 -10.721 -17.948 30.754 1.00 -0.41 C ATOM 244 1HD1 LEU 14 -9.748 -18.349 31.041 1.00 0.10 H ATOM 245 2HD1 LEU 14 -11.473 -18.416 31.392 1.00 0.10 H ATOM 246 3HD1 LEU 14 -10.921 -18.191 29.711 1.00 0.10 H ATOM 247 CD2 LEU 14 -9.571 -15.799 30.208 1.00 -0.41 C ATOM 248 1HD2 LEU 14 -8.632 -16.228 30.559 1.00 0.10 H ATOM 249 2HD2 LEU 14 -9.670 -15.982 29.136 1.00 0.10 H ATOM 250 3HD2 LEU 14 -9.549 -14.725 30.393 1.00 0.10 H ATOM 251 N LYS 15 -13.820 -14.695 33.011 1.00 -0.35 N ATOM 252 H LYS 15 -14.157 -14.060 32.299 1.00 0.28 H ATOM 253 CA LYS 15 -13.870 -14.283 34.418 1.00 -0.24 C ATOM 254 HA LYS 15 -12.868 -14.427 34.830 1.00 0.14 H ATOM 255 C LYS 15 -14.809 -15.068 35.345 1.00 0.73 C ATOM 256 O LYS 15 -14.887 -14.745 36.523 1.00 -0.59 O ATOM 257 CB LYS 15 -14.200 -12.789 34.505 1.00 -0.01 C ATOM 258 1HB LYS 15 -14.005 -12.463 35.527 1.00 0.04 H ATOM 259 2HB LYS 15 -13.528 -12.244 33.843 1.00 0.04 H ATOM 260 CG LYS 15 -15.644 -12.424 34.158 1.00 0.02 C ATOM 261 1HG LYS 15 -15.860 -12.701 33.127 1.00 0.01 H ATOM 262 2HG LYS 15 -16.317 -12.962 34.822 1.00 0.01 H ATOM 263 CD LYS 15 -15.870 -10.932 34.354 1.00 -0.05 C ATOM 264 1HD LYS 15 -15.487 -10.654 35.337 1.00 0.06 H ATOM 265 2HD LYS 15 -15.320 -10.376 33.593 1.00 0.06 H ATOM 266 CE LYS 15 -17.352 -10.568 34.299 1.00 -0.01 C ATOM 267 1HE LYS 15 -17.890 -11.199 35.010 1.00 0.11 H ATOM 268 2HE LYS 15 -17.464 -9.528 34.614 1.00 0.11 H ATOM 269 NZ LYS 15 -17.956 -10.728 32.937 1.00 -0.38 N ATOM 270 1HZ LYS 15 -17.815 -11.677 32.595 1.00 0.17 H ATOM 271 2HZ LYS 15 -18.948 -10.540 32.969 1.00 0.17 H ATOM 272 3HZ LYS 15 -17.516 -10.092 32.288 1.00 0.17 H ATOM 273 N VAL 16 -15.541 -16.051 34.832 1.00 -0.42 N ATOM 274 H VAL 16 -15.522 -16.226 33.835 1.00 0.27 H ATOM 275 CA VAL 16 -16.342 -16.954 35.672 1.00 -0.09 C ATOM 276 HA VAL 16 -16.130 -16.740 36.721 1.00 0.10 H ATOM 277 C VAL 16 -15.915 -18.404 35.431 1.00 0.60 C ATOM 278 O VAL 16 -16.596 -19.349 35.822 1.00 -0.57 O ATOM 279 CB VAL 16 -17.879 -16.768 35.464 1.00 0.30 C ATOM 280 HB VAL 16 -18.401 -17.472 36.111 1.00 -0.03 H ATOM 281 CG1 VAL 16 -18.314 -15.349 35.873 1.00 -0.32 C ATOM 282 1HG1 VAL 16 -19.401 -15.280 35.847 1.00 0.08 H ATOM 283 2HG1 VAL 16 -17.972 -15.147 36.890 1.00 0.08 H ATOM 284 3HG1 VAL 16 -17.885 -14.613 35.198 1.00 0.08 H ATOM 285 CG2 VAL 16 -18.319 -17.026 34.013 1.00 -0.32 C ATOM 286 1HG2 VAL 16 -17.965 -18.006 33.688 1.00 0.08 H ATOM 287 2HG2 VAL 16 -19.406 -17.017 33.956 1.00 0.08 H ATOM 288 3HG2 VAL 16 -17.919 -16.262 33.350 1.00 0.08 H ATOM 289 N LEU 17 -14.789 -18.565 34.747 1.00 -0.42 N ATOM 290 H LEU 17 -14.262 -17.751 34.447 1.00 0.27 H ATOM 291 CA LEU 17 -14.232 -19.874 34.400 1.00 -0.05 C ATOM 292 HA LEU 17 -14.854 -20.668 34.810 1.00 0.09 H ATOM 293 C LEU 17 -12.834 -19.991 35.004 1.00 0.60 C ATOM 294 O LEU 17 -12.042 -20.858 34.627 1.00 -0.57 O ATOM 295 CB LEU 17 -14.165 -20.025 32.873 1.00 -0.11 C ATOM 296 1HB LEU 17 -13.542 -19.220 32.490 1.00 0.05 H ATOM 297 2HB LEU 17 -13.668 -20.967 32.645 1.00 0.05 H ATOM 298 CG LEU 17 -15.499 -20.005 32.108 1.00 0.35 C ATOM 299 HG LEU 17 -16.038 -19.100 32.368 1.00 -0.04 H ATOM 300 CD1 LEU 17 -15.234 -19.983 30.600 1.00 -0.41 C ATOM 301 1HD1 LEU 17 -14.699 -20.885 30.299 1.00 0.10 H ATOM 302 2HD1 LEU 17 -16.181 -19.925 30.066 1.00 0.10 H ATOM 303 3HD1 LEU 17 -14.640 -19.106 30.349 1.00 0.10 H ATOM 304 CD2 LEU 17 -16.393 -21.200 32.450 1.00 -0.41 C ATOM 305 1HD2 LEU 17 -16.668 -21.156 33.505 1.00 0.10 H ATOM 306 2HD2 LEU 17 -17.305 -21.158 31.856 1.00 0.10 H ATOM 307 3HD2 LEU 17 -15.867 -22.134 32.252 1.00 0.10 H ATOM 308 N THR 18 -12.541 -19.078 35.919 1.00 -0.42 N ATOM 309 H THR 18 -13.246 -18.421 36.221 1.00 0.27 H ATOM 310 CA THR 18 -11.267 -18.977 36.623 1.00 -0.04 C ATOM 311 HA THR 18 -10.699 -19.903 36.564 1.00 0.10 H ATOM 312 C THR 18 -11.684 -18.705 38.054 1.00 0.60 C ATOM 313 O THR 18 -10.936 -18.982 39.010 1.00 -0.57 O ATOM 314 OXT THR 18 -12.804 -18.154 38.158 1.00 -0.57 O ATOM 315 CB THR 18 -10.433 -17.776 36.145 1.00 0.37 C ATOM 316 HB THR 18 -9.573 -17.654 36.802 1.00 0.00 H ATOM 317 OG1 THR 18 -11.249 -16.601 36.191 1.00 -0.68 O ATOM 318 HG1 THR 18 -11.843 -16.707 36.948 1.00 0.41 H ATOM 319 CG2 THR 18 -9.948 -17.958 34.715 1.00 -0.24 C ATOM 320 1HG2 THR 18 -9.342 -18.861 34.647 1.00 0.06 H ATOM 321 2HG2 THR 18 -10.802 -18.044 34.046 1.00 0.06 H ATOM 322 3HG2 THR 18 -9.353 -17.094 34.429 1.00 0.06 H TER 323 THR 18 END
SEQUENCE	KWKLFKKIGIGAVLKVLT
HELICITY	88.90	INSTAB. INDEX	-27.21	FLEXIBILITY	10.01
a HYD. MOM.	24.32	b HYD. MOM.	8.28	c HYD. MOM	2.47
a MEAN HYD. MOM.	1.35	b MEAN HYD. MOM.	0.46	c MEAN HYD. MOM.	0.14
CHARGE pH5	5.00	CHARGE pH7	5.00	CHARGE pH9	4.68
Δ CHARGE pH5-pH9	0.32	ISOELECTRIC POINT	10.60	BOMAN INDEX	-0.63
ΔG	6	CPP	-0,20	MLP	-12,59
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	1992
TITLE PAPER	Shortened cecropin A-melittin hybrids. Significant size reduction retains potent antibiotic activity.