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ID	1211	NAME	Magainin-M1   Blast NCBI-PROT
LENGTH	23	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\pdb_HM_final\GIGKFLHSAGKFGKAFIGEIMKS.pdb REMARK YASARA Written on: Wed May 14 13:05:16 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 353 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: MAGAININ 2; COMPND 3 CHAIN: A; SEQRES 1 A 23 GLY ILE GLY LYS PHE LEU HIS SER ALA GLY LYS PHE GLY SEQRES 2 A 23 LYS ALA PHE ILE GLY GLU ILE MET LYS SER CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 N GLY A 1 18.320 4.231 -28.053 1.00-27.99 N ATOM 2 1H GLY A 1 17.408 4.038 -28.445 1.00-27.99 H ATOM 3 2H GLY A 1 18.818 4.871 -28.651 1.00-27.99 H ATOM 4 3H GLY A 1 18.209 4.653 -27.140 1.00-27.99 H ATOM 5 CA GLY A 1 19.086 2.960 -27.928 1.00-27.99 C ATOM 6 1HA GLY A 1 18.550 2.283 -27.265 1.00-27.99 H ATOM 7 2HA GLY A 1 19.177 2.501 -28.911 1.00-27.99 H ATOM 8 C GLY A 1 20.463 3.216 -27.367 1.00-27.99 C ATOM 9 O GLY A 1 20.868 4.370 -27.347 1.00-27.99 O ATOM 10 N ILE A 2 21.189 2.195 -26.925 1.00-19.49 N ATOM 11 H ILE A 2 20.843 1.248 -27.000 1.00-19.49 H ATOM 12 CA ILE A 2 22.477 2.378 -26.241 1.00-19.49 C ATOM 13 HA ILE A 2 22.330 3.129 -25.465 1.00-19.49 H ATOM 14 C ILE A 2 23.662 2.864 -27.083 1.00-19.49 C ATOM 15 O ILE A 2 24.721 3.137 -26.538 1.00-19.49 O ATOM 16 CB ILE A 2 22.908 1.063 -25.520 1.00-19.49 C ATOM 17 HB ILE A 2 23.826 1.261 -24.962 1.00-19.49 H ATOM 18 CG1 ILE A 2 23.197 -0.065 -26.535 1.00-19.49 C ATOM 19 1HG1 ILE A 2 22.264 -0.361 -27.015 1.00-19.49 H ATOM 20 2HG1 ILE A 2 23.866 0.319 -27.304 1.00-19.49 H ATOM 21 CG2 ILE A 2 21.815 0.641 -24.499 1.00-19.49 C ATOM 22 1HG2 ILE A 2 22.199 -0.156 -23.857 1.00-19.49 H ATOM 23 2HG2 ILE A 2 20.920 0.275 -25.002 1.00-19.49 H ATOM 24 3HG2 ILE A 2 21.559 1.483 -23.857 1.00-19.49 H ATOM 25 CD1 ILE A 2 23.850 -1.321 -25.942 1.00-19.49 C ATOM 26 1HD1 ILE A 2 24.099 -2.011 -26.747 1.00-19.49 H ATOM 27 2HD1 ILE A 2 23.166 -1.821 -25.254 1.00-19.49 H ATOM 28 3HD1 ILE A 2 24.767 -1.050 -25.409 1.00-19.49 H ATOM 29 N GLY A 3 23.495 3.016 -28.391 1.00 6.41 N ATOM 30 H GLY A 3 22.601 2.833 -28.807 1.00 6.41 H ATOM 31 CA GLY A 3 24.598 3.436 -29.246 1.00 6.41 C ATOM 32 1HA GLY A 3 25.359 2.652 -29.236 1.00 6.41 H ATOM 33 2HA GLY A 3 24.230 3.540 -30.270 1.00 6.41 H ATOM 34 C GLY A 3 25.280 4.734 -28.846 1.00 6.41 C ATOM 35 O GLY A 3 26.489 4.845 -28.985 1.00 6.41 O ATOM 36 N LYS A 4 24.552 5.693 -28.283 1.00-16.57 N ATOM 37 H LYS A 4 23.557 5.565 -28.168 1.00-16.57 H ATOM 38 CA LYS A 4 25.178 6.940 -27.824 1.00-16.57 C ATOM 39 HA LYS A 4 25.750 7.364 -28.651 1.00-16.57 H ATOM 40 C LYS A 4 26.154 6.687 -26.673 1.00-16.57 C ATOM 41 O LYS A 4 27.214 7.307 -26.596 1.00-16.57 O ATOM 42 CB LYS A 4 24.100 7.945 -27.398 1.00-16.57 C ATOM 43 1HB LYS A 4 23.359 8.013 -28.195 1.00-16.57 H ATOM 44 2HB LYS A 4 23.605 7.578 -26.498 1.00-16.57 H ATOM 45 CG LYS A 4 24.641 9.348 -27.129 1.00-16.57 C ATOM 46 1HG LYS A 4 25.370 9.304 -26.318 1.00-16.57 H ATOM 47 2HG LYS A 4 25.137 9.711 -28.029 1.00-16.57 H ATOM 48 CD LYS A 4 23.540 10.322 -26.743 1.00-16.57 C ATOM 49 1HD LYS A 4 22.797 10.354 -27.540 1.00-16.57 H ATOM 50 2HD LYS A 4 23.064 9.977 -25.825 1.00-16.57 H ATOM 51 CE LYS A 4 24.104 11.724 -26.530 1.00-16.57 C ATOM 52 1HE LYS A 4 24.871 11.680 -25.752 1.00-16.57 H ATOM 53 2HE LYS A 4 24.578 12.056 -27.458 1.00-16.57 H ATOM 54 NZ LYS A 4 23.042 12.717 -26.130 1.00-16.57 N ATOM 55 1HZ LYS A 4 23.455 13.631 -25.999 1.00-16.57 H ATOM 56 2HZ LYS A 4 22.606 12.431 -25.264 1.00-16.57 H ATOM 57 3HZ LYS A 4 22.337 12.780 -26.850 1.00-16.57 H ATOM 58 N PHE A 5 25.814 5.756 -25.792 1.00-19.24 N ATOM 59 H PHE A 5 24.957 5.240 -25.902 1.00-19.24 H ATOM 60 CA PHE A 5 26.702 5.402 -24.688 1.00-19.24 C ATOM 61 HA PHE A 5 27.051 6.306 -24.190 1.00-19.24 H ATOM 62 C PHE A 5 27.913 4.667 -25.238 1.00-19.24 C ATOM 63 O PHE A 5 29.031 4.947 -24.839 1.00-19.24 O ATOM 64 CB PHE A 5 26.000 4.509 -23.665 1.00-19.24 C ATOM 65 1HB PHE A 5 25.160 5.053 -23.234 1.00-19.24 H ATOM 66 2HB PHE A 5 25.615 3.626 -24.171 1.00-19.24 H ATOM 67 CG PHE A 5 26.911 4.050 -22.557 1.00-19.24 C ATOM 68 CD1 PHE A 5 27.201 4.895 -21.473 1.00-19.24 C ATOM 69 HD1 PHE A 5 26.738 5.869 -21.408 1.00-19.24 H ATOM 70 CD2 PHE A 5 27.514 2.779 -22.616 1.00-19.24 C ATOM 71 HD2 PHE A 5 27.289 2.115 -23.438 1.00-19.24 H ATOM 72 CE1 PHE A 5 28.101 4.486 -20.453 1.00-19.24 C ATOM 73 HE1 PHE A 5 28.318 5.145 -19.625 1.00-19.24 H ATOM 74 CE2 PHE A 5 28.426 2.359 -21.617 1.00-19.24 C ATOM 75 HE2 PHE A 5 28.886 1.383 -21.677 1.00-19.24 H ATOM 76 CZ PHE A 5 28.721 3.216 -20.532 1.00-19.24 C ATOM 77 HZ PHE A 5 29.414 2.901 -19.765 1.00-19.24 H ATOM 78 N LEU A 6 27.707 3.761 -26.184 1.00-19.79 N ATOM 79 H LEU A 6 26.765 3.576 -26.507 1.00-19.79 H ATOM 80 CA LEU A 6 28.824 3.002 -26.753 1.00-19.79 C ATOM 81 HA LEU A 6 29.380 2.532 -25.941 1.00-19.79 H ATOM 82 C LEU A 6 29.792 3.920 -27.492 1.00-19.79 C ATOM 83 O LEU A 6 31.006 3.787 -27.356 1.00-19.79 O ATOM 84 CB LEU A 6 28.313 1.918 -27.705 1.00-19.79 C ATOM 85 1HB LEU A 6 27.760 2.412 -28.505 1.00-19.79 H ATOM 86 2HB LEU A 6 29.183 1.439 -28.158 1.00-19.79 H ATOM 87 CG LEU A 6 27.413 0.813 -27.125 1.00-19.79 C ATOM 88 HG LEU A 6 26.540 1.274 -26.669 1.00-19.79 H ATOM 89 CD1 LEU A 6 26.931 -0.090 -28.259 1.00-19.79 C ATOM 90 1HD1 LEU A 6 26.269 -0.861 -27.866 1.00-19.79 H ATOM 91 2HD1 LEU A 6 27.783 -0.571 -28.744 1.00-19.79 H ATOM 92 3HD1 LEU A 6 26.386 0.495 -28.998 1.00-19.79 H ATOM 93 CD2 LEU A 6 28.117 -0.032 -26.065 1.00-19.79 C ATOM 94 1HD2 LEU A 6 27.452 -0.826 -25.725 1.00-19.79 H ATOM 95 2HD2 LEU A 6 28.380 0.589 -25.208 1.00-19.79 H ATOM 96 3HD2 LEU A 6 29.025 -0.480 -26.478 1.00-19.79 H ATOM 97 N HIS A 7 29.259 4.894 -28.217 1.00-14.58 N ATOM 98 H HIS A 7 28.249 4.937 -28.331 1.00-14.58 H ATOM 99 CA HIS A 7 30.081 5.912 -28.868 1.00-14.58 C ATOM 100 HA HIS A 7 30.776 5.433 -29.558 1.00-14.58 H ATOM 101 C HIS A 7 30.890 6.672 -27.827 1.00-14.58 C ATOM 102 O HIS A 7 32.086 6.879 -27.988 1.00-14.58 O ATOM 103 CB HIS A 7 29.186 6.900 -29.625 1.00-14.58 C ATOM 104 1HB HIS A 7 28.663 6.370 -30.418 1.00-14.58 H ATOM 105 2HB HIS A 7 28.445 7.294 -28.930 1.00-14.58 H ATOM 106 CG HIS A 7 29.922 8.067 -30.209 1.00-14.58 C ATOM 107 ND1 HIS A 7 30.514 8.079 -31.447 1.00-14.58 N ATOM 108 HD1 HIS A 7 30.531 7.315 -32.105 1.00-14.58 H ATOM 109 CD2 HIS A 7 30.155 9.308 -29.698 1.00-14.58 C ATOM 110 HD2 HIS A 7 29.829 9.642 -28.723 1.00-14.58 H ATOM 111 CE1 HIS A 7 31.052 9.287 -31.640 1.00-14.58 C ATOM 112 HE1 HIS A 7 31.574 9.582 -32.542 1.00-14.58 H ATOM 113 NE2 HIS A 7 30.861 10.075 -30.601 1.00-14.58 N ATOM 114 N SER A 8 30.249 7.079 -26.742 1.00-14.07 N ATOM 115 H SER A 8 29.264 6.864 -26.630 1.00-14.07 H ATOM 116 CA SER A 8 30.927 7.862 -25.713 1.00-14.07 C ATOM 117 HA SER A 8 31.404 8.718 -26.186 1.00-14.07 H ATOM 118 C SER A 8 32.005 7.048 -25.004 1.00-14.07 C ATOM 119 O SER A 8 33.097 7.550 -24.738 1.00-14.07 O ATOM 120 CB SER A 8 29.912 8.374 -24.694 1.00-14.07 C ATOM 121 1HB SER A 8 29.459 7.525 -24.180 1.00-14.07 H ATOM 122 2HB SER A 8 30.424 9.002 -23.962 1.00-14.07 H ATOM 123 OG SER A 8 28.896 9.123 -25.349 1.00-14.07 O ATOM 124 HG SER A 8 28.271 8.502 -25.763 1.00-14.07 H ATOM 125 N ALA A 9 31.716 5.786 -24.725 1.00 -8.96 N ATOM 126 H ALA A 9 30.792 5.421 -24.953 1.00 -8.96 H ATOM 127 CA ALA A 9 32.660 4.898 -24.062 1.00 -8.96 C ATOM 128 HA ALA A 9 33.010 5.382 -23.148 1.00 -8.96 H ATOM 129 C ALA A 9 33.872 4.634 -24.956 1.00 -8.96 C ATOM 130 O ALA A 9 35.006 4.659 -24.486 1.00 -8.96 O ATOM 131 CB ALA A 9 31.955 3.581 -23.693 1.00 -8.96 C ATOM 132 1HB ALA A 9 31.109 3.785 -23.037 1.00 -8.96 H ATOM 133 2HB ALA A 9 32.657 2.926 -23.174 1.00 -8.96 H ATOM 134 3HB ALA A 9 31.598 3.078 -24.594 1.00 -8.96 H ATOM 135 N GLY A 10 33.656 4.414 -26.247 1.00-14.02 N ATOM 136 H GLY A 10 32.703 4.368 -26.605 1.00-14.02 H ATOM 137 CA GLY A 10 34.774 4.197 -27.153 1.00-14.02 C ATOM 138 1HA GLY A 10 35.407 3.403 -26.756 1.00-14.02 H ATOM 139 2HA GLY A 10 34.393 3.896 -28.127 1.00-14.02 H ATOM 140 C GLY A 10 35.611 5.448 -27.323 1.00-14.02 C ATOM 141 O GLY A 10 36.841 5.405 -27.398 1.00-14.02 O ATOM 142 N LYS A 11 34.948 6.596 -27.355 1.00-20.71 N ATOM 143 H LYS A 11 33.931 6.577 -27.299 1.00-20.71 H ATOM 144 CA LYS A 11 35.622 7.888 -27.489 1.00-20.71 C ATOM 145 HA LYS A 11 36.287 7.849 -28.351 1.00-20.71 H ATOM 146 C LYS A 11 36.460 8.201 -26.257 1.00-20.71 C ATOM 147 O LYS A 11 37.602 8.641 -26.384 1.00-20.71 O ATOM 148 CB LYS A 11 34.534 8.938 -27.728 1.00-20.71 C ATOM 149 1HB LYS A 11 33.878 8.520 -28.486 1.00-20.71 H ATOM 150 2HB LYS A 11 33.953 9.064 -26.815 1.00-20.71 H ATOM 151 CG LYS A 11 34.954 10.296 -28.227 1.00-20.71 C ATOM 152 1HG LYS A 11 35.529 10.831 -27.470 1.00-20.71 H ATOM 153 2HG LYS A 11 35.543 10.181 -29.138 1.00-20.71 H ATOM 154 CD LYS A 11 33.657 11.030 -28.551 1.00-20.71 C ATOM 155 1HD LYS A 11 33.059 10.377 -29.183 1.00-20.71 H ATOM 156 2HD LYS A 11 33.106 11.212 -27.625 1.00-20.71 H ATOM 157 CE LYS A 11 33.843 12.334 -29.294 1.00-20.71 C ATOM 158 1HE LYS A 11 34.356 13.057 -28.657 1.00-20.71 H ATOM 159 2HE LYS A 11 34.438 12.157 -30.193 1.00-20.71 H ATOM 160 NZ LYS A 11 32.481 12.843 -29.691 1.00-20.71 N ATOM 161 1HZ LYS A 11 32.569 13.667 -30.268 1.00-20.71 H ATOM 162 2HZ LYS A 11 31.949 13.073 -28.863 1.00-20.71 H ATOM 163 3HZ LYS A 11 31.982 12.122 -30.206 1.00-20.71 H ATOM 164 N PHE A 12 35.930 7.907 -25.078 1.00-22.98 N ATOM 165 H PHE A 12 34.971 7.574 -25.019 1.00-22.98 H ATOM 166 CA PHE A 12 36.707 8.041 -23.851 1.00-22.98 C ATOM 167 HA PHE A 12 37.160 9.032 -23.814 1.00-22.98 H ATOM 168 C PHE A 12 37.833 7.024 -23.823 1.00-22.98 C ATOM 169 O PHE A 12 38.942 7.374 -23.478 1.00-22.98 O ATOM 170 CB PHE A 12 35.850 7.842 -22.601 1.00-22.98 C ATOM 171 1HB PHE A 12 35.094 8.625 -22.564 1.00-22.98 H ATOM 172 2HB PHE A 12 35.346 6.878 -22.670 1.00-22.98 H ATOM 173 CG PHE A 12 36.660 7.858 -21.332 1.00-22.98 C ATOM 174 CD1 PHE A 12 37.202 9.062 -20.846 1.00-22.98 C ATOM 175 HD1 PHE A 12 36.980 9.996 -21.341 1.00-22.98 H ATOM 176 CD2 PHE A 12 36.953 6.655 -20.662 1.00-22.98 C ATOM 177 HD2 PHE A 12 36.540 5.724 -21.018 1.00-22.98 H ATOM 178 CE1 PHE A 12 38.073 9.065 -19.725 1.00-22.98 C ATOM 179 HE1 PHE A 12 38.515 9.990 -19.380 1.00-22.98 H ATOM 180 CE2 PHE A 12 37.809 6.643 -19.531 1.00-22.98 C ATOM 181 HE2 PHE A 12 38.037 5.715 -19.033 1.00-22.98 H ATOM 182 CZ PHE A 12 38.383 7.850 -19.072 1.00-22.98 C ATOM 183 HZ PHE A 12 39.057 7.846 -18.226 1.00-22.98 H ATOM 184 N GLY A 13 37.586 5.788 -24.230 1.00 -8.15 N ATOM 185 H GLY A 13 36.647 5.521 -24.512 1.00 -8.15 H ATOM 186 CA GLY A 13 38.637 4.783 -24.237 1.00 -8.15 C ATOM 187 1HA GLY A 13 39.012 4.658 -23.222 1.00 -8.15 H ATOM 188 2HA GLY A 13 38.231 3.833 -24.581 1.00 -8.15 H ATOM 189 C GLY A 13 39.798 5.186 -25.123 1.00 -8.15 C ATOM 190 O GLY A 13 40.949 5.025 -24.741 1.00 -8.15 O ATOM 191 N LYS A 14 39.525 5.783 -26.276 1.00-18.96 N ATOM 192 H LYS A 14 38.556 5.880 -26.571 1.00-18.96 H ATOM 193 CA LYS A 14 40.603 6.279 -27.138 1.00-18.96 C ATOM 194 HA LYS A 14 41.298 5.459 -27.318 1.00-18.96 H ATOM 195 C LYS A 14 41.391 7.402 -26.466 1.00-18.96 C ATOM 196 O LYS A 14 42.615 7.454 -26.575 1.00-18.96 O ATOM 197 CB LYS A 14 40.036 6.760 -28.479 1.00-18.96 C ATOM 198 1HB LYS A 14 39.361 5.994 -28.861 1.00-18.96 H ATOM 199 2HB LYS A 14 39.464 7.676 -28.315 1.00-18.96 H ATOM 200 CG LYS A 14 41.116 7.029 -29.523 1.00-18.96 C ATOM 201 1HG LYS A 14 41.796 7.796 -29.151 1.00-18.96 H ATOM 202 2HG LYS A 14 41.683 6.112 -29.691 1.00-18.96 H ATOM 203 CD LYS A 14 40.531 7.503 -30.843 1.00-18.96 C ATOM 204 1HD LYS A 14 39.856 6.739 -31.232 1.00-18.96 H ATOM 205 2HD LYS A 14 39.973 8.427 -30.678 1.00-18.96 H ATOM 206 CE LYS A 14 41.656 7.756 -31.848 1.00-18.96 C ATOM 207 1HE LYS A 14 42.329 8.512 -31.436 1.00-18.96 H ATOM 208 2HE LYS A 14 42.227 6.832 -31.986 1.00-18.96 H ATOM 209 NZ LYS A 14 41.142 8.222 -33.184 1.00-18.96 N ATOM 210 1HZ LYS A 14 41.919 8.358 -33.820 1.00-18.96 H ATOM 211 2HZ LYS A 14 40.644 9.094 -33.075 1.00-18.96 H ATOM 212 3HZ LYS A 14 40.520 7.527 -33.576 1.00-18.96 H ATOM 213 N ALA A 15 40.702 8.290 -25.761 1.00-15.99 N ATOM 214 H ALA A 15 39.695 8.214 -25.694 1.00-15.99 H ATOM 215 CA ALA A 15 41.381 9.372 -25.059 1.00-15.99 C ATOM 216 HA ALA A 15 42.059 9.867 -25.754 1.00-15.99 H ATOM 217 C ALA A 15 42.218 8.813 -23.904 1.00-15.99 C ATOM 218 O ALA A 15 43.328 9.265 -23.673 1.00-15.99 O ATOM 219 CB ALA A 15 40.357 10.391 -24.544 1.00-15.99 C ATOM 220 1HB ALA A 15 39.764 10.776 -25.372 1.00-15.99 H ATOM 221 2HB ALA A 15 40.883 11.214 -24.061 1.00-15.99 H ATOM 222 3HB ALA A 15 39.702 9.920 -23.811 1.00-15.99 H ATOM 223 N PHE A 16 41.697 7.806 -23.219 1.00-14.37 N ATOM 224 H PHE A 16 40.760 7.490 -23.441 1.00-14.37 H ATOM 225 CA PHE A 16 42.373 7.189 -22.084 1.00-14.37 C ATOM 226 HA PHE A 16 42.693 7.982 -21.403 1.00-14.37 H ATOM 227 C PHE A 16 43.612 6.406 -22.505 1.00-14.37 C ATOM 228 O PHE A 16 44.618 6.400 -21.809 1.00-14.37 O ATOM 229 CB PHE A 16 41.382 6.291 -21.347 1.00-14.37 C ATOM 230 1HB PHE A 16 40.469 6.864 -21.181 1.00-14.37 H ATOM 231 2HB PHE A 16 41.144 5.430 -21.969 1.00-14.37 H ATOM 232 CG PHE A 16 41.873 5.817 -20.013 1.00-14.37 C ATOM 233 CD1 PHE A 16 41.943 6.712 -18.929 1.00-14.37 C ATOM 234 HD1 PHE A 16 41.650 7.744 -19.061 1.00-14.37 H ATOM 235 CD2 PHE A 16 42.265 4.481 -19.827 1.00-14.37 C ATOM 236 HD2 PHE A 16 42.221 3.789 -20.654 1.00-14.37 H ATOM 237 CE1 PHE A 16 42.406 6.281 -17.665 1.00-14.37 C ATOM 238 HE1 PHE A 16 42.471 6.984 -16.850 1.00-14.37 H ATOM 239 CE2 PHE A 16 42.711 4.028 -18.560 1.00-14.37 C ATOM 240 HE2 PHE A 16 42.996 2.996 -18.422 1.00-14.37 H ATOM 241 CZ PHE A 16 42.788 4.933 -17.480 1.00-14.37 C ATOM 242 HZ PHE A 16 43.147 4.598 -16.516 1.00-14.37 H ATOM 243 N ILE A 17 43.593 5.823 -23.696 1.00-16.68 N ATOM 244 H ILE A 17 42.727 5.796 -24.229 1.00-16.68 H ATOM 245 CA ILE A 17 44.810 5.239 -24.264 1.00-16.68 C ATOM 246 HA ILE A 17 45.240 4.537 -23.549 1.00-16.68 H ATOM 247 C ILE A 17 45.829 6.363 -24.468 1.00-16.68 C ATOM 248 O ILE A 17 47.005 6.196 -24.158 1.00-16.68 O ATOM 249 CB ILE A 17 44.525 4.477 -25.597 1.00-16.68 C ATOM 250 HB ILE A 17 43.969 5.134 -26.266 1.00-16.68 H ATOM 251 CG1 ILE A 17 43.681 3.221 -25.300 1.00-16.68 C ATOM 252 1HG1 ILE A 17 44.334 2.479 -24.842 1.00-16.68 H ATOM 253 2HG1 ILE A 17 42.913 3.466 -24.572 1.00-16.68 H ATOM 254 CG2 ILE A 17 45.838 4.053 -26.311 1.00-16.68 C ATOM 255 1HG2 ILE A 17 45.616 3.489 -27.216 1.00-16.68 H ATOM 256 2HG2 ILE A 17 46.451 3.440 -25.647 1.00-16.68 H ATOM 257 3HG2 ILE A 17 46.411 4.935 -26.598 1.00-16.68 H ATOM 258 CD1 ILE A 17 42.980 2.588 -26.517 1.00-16.68 C ATOM 259 1HD1 ILE A 17 42.353 1.763 -26.175 1.00-16.68 H ATOM 260 2HD1 ILE A 17 43.714 2.208 -27.224 1.00-16.68 H ATOM 261 3HD1 ILE A 17 42.350 3.331 -27.004 1.00-16.68 H ATOM 262 N GLY A 18 45.387 7.531 -24.913 1.00 -3.90 N ATOM 263 H GLY A 18 44.407 7.651 -25.134 1.00 -3.90 H ATOM 264 CA GLY A 18 46.289 8.665 -25.041 1.00 -3.90 C ATOM 265 1HA GLY A 18 47.119 8.384 -25.691 1.00 -3.90 H ATOM 266 2HA GLY A 18 45.753 9.500 -25.495 1.00 -3.90 H ATOM 267 C GLY A 18 46.862 9.129 -23.713 1.00 -3.90 C ATOM 268 O GLY A 18 48.036 9.464 -23.651 1.00 -3.90 O ATOM 269 N GLU A 19 46.073 9.101 -22.647 1.00 -0.97 N ATOM 270 H GLU A 19 45.096 8.847 -22.764 1.00 -0.97 H ATOM 271 CA GLU A 19 46.543 9.458 -21.304 1.00 -0.97 C ATOM 272 HA GLU A 19 47.032 10.433 -21.337 1.00 -0.97 H ATOM 273 C GLU A 19 47.568 8.446 -20.775 1.00 -0.97 C ATOM 274 O GLU A 19 48.518 8.811 -20.085 1.00 -0.97 O ATOM 275 CB GLU A 19 45.350 9.538 -20.338 1.00 -0.97 C ATOM 276 1HB GLU A 19 44.803 8.599 -20.390 1.00 -0.97 H ATOM 277 2HB GLU A 19 45.730 9.662 -19.325 1.00 -0.97 H ATOM 278 CG GLU A 19 44.380 10.691 -20.633 1.00 -0.97 C ATOM 279 1HG GLU A 19 44.906 11.637 -20.490 1.00 -0.97 H ATOM 280 2HG GLU A 19 44.059 10.639 -21.671 1.00 -0.97 H ATOM 281 CD GLU A 19 43.141 10.663 -19.743 1.00 -0.97 C ATOM 282 OE1 GLU A 19 42.163 9.964 -20.094 1.00 -0.97 O ATOM 283 OE2 GLU A 19 43.127 11.355 -18.704 1.00 -0.97 O ATOM 284 N ILE A 20 47.416 7.176 -21.131 1.00-18.57 N ATOM 285 H ILE A 20 46.583 6.902 -21.647 1.00-18.57 H ATOM 286 CA ILE A 20 48.414 6.153 -20.788 1.00-18.57 C ATOM 287 HA ILE A 20 48.661 6.239 -19.729 1.00-18.57 H ATOM 288 C ILE A 20 49.698 6.399 -21.594 1.00-18.57 C ATOM 289 O ILE A 20 50.804 6.261 -21.076 1.00-18.57 O ATOM 290 CB ILE A 20 47.869 4.709 -21.063 1.00-18.57 C ATOM 291 HB ILE A 20 47.521 4.662 -22.093 1.00-18.57 H ATOM 292 CG1 ILE A 20 46.687 4.399 -20.122 1.00-18.57 C ATOM 293 1HG1 ILE A 20 47.082 4.211 -19.125 1.00-18.57 H ATOM 294 2HG1 ILE A 20 46.037 5.271 -20.058 1.00-18.57 H ATOM 295 CG2 ILE A 20 48.966 3.627 -20.861 1.00-18.57 C ATOM 296 1HG2 ILE A 20 48.557 2.630 -21.027 1.00-18.57 H ATOM 297 2HG2 ILE A 20 49.373 3.692 -19.848 1.00-18.57 H ATOM 298 3HG2 ILE A 20 49.774 3.782 -21.575 1.00-18.57 H ATOM 299 CD1 ILE A 20 45.821 3.202 -20.540 1.00-18.57 C ATOM 300 1HD1 ILE A 20 44.994 3.107 -19.841 1.00-18.57 H ATOM 301 2HD1 ILE A 20 46.400 2.281 -20.520 1.00-18.57 H ATOM 302 3HD1 ILE A 20 45.423 3.369 -21.540 1.00-18.57 H ATOM 303 N MET A 21 49.565 6.752 -22.866 1.00-17.37 N ATOM 304 H MET A 21 48.633 6.849 -23.263 1.00-17.37 H ATOM 305 CA MET A 21 50.737 6.977 -23.718 1.00-17.37 C ATOM 306 HA MET A 21 51.428 6.142 -23.602 1.00-17.37 H ATOM 307 C MET A 21 51.485 8.248 -23.332 1.00-17.37 C ATOM 308 O MET A 21 52.708 8.321 -23.473 1.00-17.37 O ATOM 309 CB MET A 21 50.331 7.079 -25.191 1.00-17.37 C ATOM 310 1HB MET A 21 49.546 7.828 -25.281 1.00-17.37 H ATOM 311 2HB MET A 21 51.199 7.419 -25.757 1.00-17.37 H ATOM 312 CG MET A 21 49.843 5.771 -25.815 1.00-17.37 C ATOM 313 1HG MET A 21 50.646 5.037 -25.770 1.00-17.37 H ATOM 314 2HG MET A 21 49.004 5.395 -25.237 1.00-17.37 H ATOM 315 SD MET A 21 49.308 5.969 -27.541 1.00-17.37 S ATOM 316 CE MET A 21 50.883 6.180 -28.415 1.00-17.37 C ATOM 317 1HE MET A 21 50.691 6.287 -29.487 1.00-17.37 H ATOM 318 2HE MET A 21 51.512 5.306 -28.249 1.00-17.37 H ATOM 319 3HE MET A 21 51.395 7.069 -28.052 1.00-17.37 H ATOM 320 N LYS A 22 50.757 9.253 -22.864 1.00 0.99 N ATOM 321 H LYS A 22 49.739 9.173 -22.857 1.00 0.99 H ATOM 322 CA LYS A 22 51.349 10.475 -22.326 1.00 0.99 C ATOM 323 HA LYS A 22 52.334 10.234 -21.931 1.00 0.99 H ATOM 324 C LYS A 22 50.506 11.032 -21.186 1.00 0.99 C ATOM 325 O LYS A 22 49.546 11.766 -21.410 1.00 0.99 O ATOM 326 CB LYS A 22 51.516 11.534 -23.423 1.00 0.99 C ATOM 327 1HB LYS A 22 52.067 11.086 -24.252 1.00 0.99 H ATOM 328 2HB LYS A 22 50.528 11.826 -23.786 1.00 0.99 H ATOM 329 CG LYS A 22 52.273 12.776 -22.946 1.00 0.99 C ATOM 330 1HG LYS A 22 52.609 12.612 -21.923 1.00 0.99 H ATOM 331 2HG LYS A 22 53.151 12.925 -23.579 1.00 0.99 H ATOM 332 CD LYS A 22 51.401 14.032 -22.999 1.00 0.99 C ATOM 333 1HD LYS A 22 51.234 14.295 -24.044 1.00 0.99 H ATOM 334 2HD LYS A 22 50.435 13.831 -22.532 1.00 0.99 H ATOM 335 CE LYS A 22 52.050 15.206 -22.282 1.00 0.99 C ATOM 336 1HE LYS A 22 53.088 15.291 -22.607 1.00 0.99 H ATOM 337 2HE LYS A 22 51.522 16.122 -22.551 1.00 0.99 H ATOM 338 NZ LYS A 22 52.009 15.046 -20.789 1.00 0.99 N ATOM 339 1HZ LYS A 22 52.494 15.798 -20.323 1.00 0.99 H ATOM 340 2HZ LYS A 22 52.431 14.164 -20.504 1.00 0.99 H ATOM 341 3HZ LYS A 22 51.054 15.011 -20.448 1.00 0.99 H ATOM 342 N SER A 23 50.934 10.768 -19.965 1.00-10.04 N ATOM 343 H SER A 23 51.668 10.099 -19.819 1.00-10.04 H ATOM 344 CA SER A 23 50.432 11.527 -18.826 1.00-10.04 C ATOM 345 HA SER A 23 49.374 11.745 -18.966 1.00-10.04 H ATOM 346 C SER A 23 51.217 12.825 -18.829 1.00-10.04 C ATOM 347 O SER A 23 52.398 12.754 -19.249 1.00-10.04 O ATOM 348 OXT SER A 23 50.665 13.906 -18.547 1.00-10.04 O ATOM 349 CB SER A 23 50.635 10.751 -17.532 1.00-10.04 C ATOM 350 1HB SER A 23 51.705 10.625 -17.350 1.00-10.04 H ATOM 351 2HB SER A 23 50.189 11.302 -16.702 1.00-10.04 H ATOM 352 OG SER A 23 50.030 9.475 -17.648 1.00-10.04 O ATOM 353 HG SER A 23 49.537 9.434 -18.489 1.00-10.04 H TER 354 SER A 23 END
SEQUENCE	GIGKFLHSAGKFGKAFIGEIMKS
HELICITY	87.00	INSTAB. INDEX	-0.10	FLEXIBILITY	15.40
a HYD. MOM.	80.84	b HYD. MOM.	34.50	c HYD. MOM	7.22
a MEAN HYD. MOM.	3.51	b MEAN HYD. MOM.	1.50	c MEAN HYD. MOM.	0.31
CHARGE pH5	4.06	CHARGE pH7	3.09	CHARGE pH9	2.71
Δ CHARGE pH5-pH9	1.35	ISOELECTRIC POINT	10.00	BOMAN INDEX	0.05
ΔG	14	CPP	0,20	MLP	-12,94
MOLECULAR VOLUME		POLARITY
MIC E. coli	12	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	50	MIC M. luteus		MIC B. subtilis
MIC C. albicans	25	OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Pipidae	GENUS	Xenopus	SPECIES	Xenopus muelleri
DATE	2011
TITLE PAPER	Peptidomic analysis of skin secretions demonstrates that the allopatric populations of Xenopus muelleri (Pipidae) are not conspecific