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ID	767	NAME	CA-MA2   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\pdb_HM_final\KWKLFKKIPKFLHSAKKF.pdb REMARK YASARA Written on: Wed May 14 11:50:23 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 350 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: CECROPIN A-MAGAININ 2 HYBRID PEPTIDE; COMPND 3 CHAIN: A; SEQRES 1 A 18 LYS TRP LYS LEU PHE LYS LYS ILE PRO LYS PHE LEU HIS SEQRES 2 A 18 SER ALA LYS LYS PHE 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 LYS A 1 -24.931 -33.106 5.358 1.00-13.94 N ATOM 2 1H LYS A 1 -24.852 -32.100 5.384 1.00-13.94 H ATOM 3 2H LYS A 1 -24.768 -33.484 6.282 1.00-13.94 H ATOM 4 3H LYS A 1 -25.863 -33.364 5.063 1.00-13.94 H ATOM 5 CA LYS A 1 -23.930 -33.677 4.409 1.00-13.94 C ATOM 6 HA LYS A 1 -24.165 -33.336 3.401 1.00-13.94 H ATOM 7 C LYS A 1 -24.036 -35.187 4.454 1.00-13.94 C ATOM 8 O LYS A 1 -24.424 -35.702 5.486 1.00-13.94 O ATOM 9 CB LYS A 1 -22.516 -33.203 4.794 1.00-13.94 C ATOM 10 1HB LYS A 1 -22.546 -32.119 4.908 1.00-13.94 H ATOM 11 2HB LYS A 1 -22.254 -33.640 5.759 1.00-13.94 H ATOM 12 CG LYS A 1 -21.408 -33.537 3.785 1.00-13.94 C ATOM 13 1HG LYS A 1 -21.342 -34.618 3.661 1.00-13.94 H ATOM 14 2HG LYS A 1 -21.658 -33.087 2.824 1.00-13.94 H ATOM 15 CD LYS A 1 -20.043 -33.009 4.237 1.00-13.94 C ATOM 16 1HD LYS A 1 -20.114 -31.933 4.405 1.00-13.94 H ATOM 17 2HD LYS A 1 -19.763 -33.497 5.172 1.00-13.94 H ATOM 18 CE LYS A 1 -18.965 -33.284 3.180 1.00-13.94 C ATOM 19 1HE LYS A 1 -18.924 -34.360 2.992 1.00-13.94 H ATOM 20 2HE LYS A 1 -19.250 -32.787 2.249 1.00-13.94 H ATOM 21 NZ LYS A 1 -17.595 -32.804 3.597 1.00-13.94 N ATOM 22 1HZ LYS A 1 -16.917 -33.031 2.880 1.00-13.94 H ATOM 23 2HZ LYS A 1 -17.318 -33.251 4.461 1.00-13.94 H ATOM 24 3HZ LYS A 1 -17.603 -31.801 3.731 1.00-13.94 H ATOM 25 N TRP A 2 -23.777 -35.878 3.355 1.00-12.88 N ATOM 26 H TRP A 2 -23.417 -35.429 2.520 1.00-12.88 H ATOM 27 CA TRP A 2 -24.013 -37.311 3.223 1.00-12.88 C ATOM 28 HA TRP A 2 -23.758 -37.866 4.128 1.00-12.88 H ATOM 29 C TRP A 2 -23.074 -37.661 2.077 1.00-12.88 C ATOM 30 O TRP A 2 -22.530 -36.737 1.471 1.00-12.88 O ATOM 31 CB TRP A 2 -25.475 -37.538 2.819 1.00-12.88 C ATOM 32 1HB TRP A 2 -25.596 -38.546 2.424 1.00-12.88 H ATOM 33 2HB TRP A 2 -26.103 -37.437 3.704 1.00-12.88 H ATOM 34 CG TRP A 2 -25.932 -36.524 1.800 1.00-12.88 C ATOM 35 CD1 TRP A 2 -25.652 -36.504 0.474 1.00-12.88 C ATOM 36 HD1 TRP A 2 -25.063 -37.251 -0.043 1.00-12.88 H ATOM 37 CD2 TRP A 2 -26.720 -35.342 2.035 1.00-12.88 C ATOM 38 NE1 TRP A 2 -26.191 -35.418 -0.144 1.00-12.88 N ATOM 39 HE1 TRP A 2 -26.108 -35.246 -1.136 1.00-12.88 H ATOM 40 CE2 TRP A 2 -26.836 -34.658 0.789 1.00-12.88 C ATOM 41 CE3 TRP A 2 -27.336 -34.784 3.175 1.00-12.88 C ATOM 42 HE3 TRP A 2 -27.291 -35.298 4.125 1.00-12.88 H ATOM 43 CZ2 TRP A 2 -27.533 -33.439 0.659 1.00-12.88 C ATOM 44 HZ2 TRP A 2 -27.615 -32.947 -0.298 1.00-12.88 H ATOM 45 CZ3 TRP A 2 -28.033 -33.554 3.051 1.00-12.88 C ATOM 46 HZ3 TRP A 2 -28.518 -33.119 3.915 1.00-12.88 H ATOM 47 CH2 TRP A 2 -28.120 -32.895 1.788 1.00-12.88 C ATOM 48 HH2 TRP A 2 -28.659 -31.961 1.713 1.00-12.88 H ATOM 49 N LYS A 3 -22.915 -38.942 1.760 1.00 -3.27 N ATOM 50 H LYS A 3 -23.340 -39.652 2.339 1.00 -3.27 H ATOM 51 CA LYS A 3 -22.178 -39.372 0.560 1.00 -3.27 C ATOM 52 HA LYS A 3 -21.527 -38.568 0.213 1.00 -3.27 H ATOM 53 C LYS A 3 -23.139 -39.709 -0.579 1.00 -3.27 C ATOM 54 O LYS A 3 -22.736 -40.113 -1.658 1.00 -3.27 O ATOM 55 CB LYS A 3 -21.323 -40.611 0.852 1.00 -3.27 C ATOM 56 1HB LYS A 3 -21.971 -41.411 1.212 1.00 -3.27 H ATOM 57 2HB LYS A 3 -20.873 -40.938 -0.086 1.00 -3.27 H ATOM 58 CG LYS A 3 -20.197 -40.394 1.855 1.00 -3.27 C ATOM 59 1HG LYS A 3 -19.609 -39.530 1.548 1.00 -3.27 H ATOM 60 2HG LYS A 3 -20.615 -40.213 2.846 1.00 -3.27 H ATOM 61 CD LYS A 3 -19.292 -41.624 1.898 1.00 -3.27 C ATOM 62 1HD LYS A 3 -19.888 -42.496 2.170 1.00 -3.27 H ATOM 63 2HD LYS A 3 -18.869 -41.782 0.904 1.00 -3.27 H ATOM 64 CE LYS A 3 -18.152 -41.456 2.902 1.00 -3.27 C ATOM 65 1HE LYS A 3 -17.588 -40.556 2.646 1.00 -3.27 H ATOM 66 2HE LYS A 3 -18.575 -41.329 3.901 1.00 -3.27 H ATOM 67 NZ LYS A 3 -17.223 -42.643 2.895 1.00 -3.27 N ATOM 68 1HZ LYS A 3 -16.480 -42.504 3.568 1.00 -3.27 H ATOM 69 2HZ LYS A 3 -16.818 -42.758 1.976 1.00 -3.27 H ATOM 70 3HZ LYS A 3 -17.733 -43.482 3.138 1.00 -3.27 H ATOM 71 N LEU A 4 -24.425 -39.594 -0.292 1.00 -6.18 N ATOM 72 H LEU A 4 -24.694 -39.249 0.606 1.00 -6.18 H ATOM 73 CA LEU A 4 -25.476 -39.926 -1.250 1.00 -6.18 C ATOM 74 HA LEU A 4 -25.302 -40.922 -1.656 1.00 -6.18 H ATOM 75 C LEU A 4 -25.508 -38.921 -2.397 1.00 -6.18 C ATOM 76 O LEU A 4 -25.178 -37.747 -2.223 1.00 -6.18 O ATOM 77 CB LEU A 4 -26.836 -39.881 -0.541 1.00 -6.18 C ATOM 78 1HB LEU A 4 -26.973 -38.871 -0.161 1.00 -6.18 H ATOM 79 2HB LEU A 4 -27.608 -40.053 -1.286 1.00 -6.18 H ATOM 80 CG LEU A 4 -27.080 -40.854 0.622 1.00 -6.18 C ATOM 81 HG LEU A 4 -26.252 -40.771 1.326 1.00 -6.18 H ATOM 82 CD1 LEU A 4 -28.356 -40.471 1.361 1.00 -6.18 C ATOM 83 1HD1 LEU A 4 -28.524 -41.163 2.188 1.00 -6.18 H ATOM 84 2HD1 LEU A 4 -29.212 -40.507 0.688 1.00 -6.18 H ATOM 85 3HD1 LEU A 4 -28.258 -39.466 1.769 1.00 -6.18 H ATOM 86 CD2 LEU A 4 -27.169 -42.302 0.149 1.00 -6.18 C ATOM 87 1HD2 LEU A 4 -27.348 -42.957 1.004 1.00 -6.18 H ATOM 88 2HD2 LEU A 4 -26.232 -42.604 -0.319 1.00 -6.18 H ATOM 89 3HD2 LEU A 4 -27.984 -42.421 -0.564 1.00 -6.18 H ATOM 90 N PHE A 5 -26.018 -39.344 -3.543 1.00 -5.79 N ATOM 91 H PHE A 5 -26.200 -40.323 -3.688 1.00 -5.79 H ATOM 92 CA PHE A 5 -26.391 -38.388 -4.578 1.00 -5.79 C ATOM 93 HA PHE A 5 -25.523 -37.781 -4.836 1.00 -5.79 H ATOM 94 C PHE A 5 -27.479 -37.509 -3.970 1.00 -5.79 C ATOM 95 O PHE A 5 -28.364 -38.008 -3.280 1.00 -5.79 O ATOM 96 CB PHE A 5 -26.918 -39.105 -5.822 1.00 -5.79 C ATOM 97 1HB PHE A 5 -27.802 -39.681 -5.549 1.00 -5.79 H ATOM 98 2HB PHE A 5 -27.208 -38.358 -6.560 1.00 -5.79 H ATOM 99 CG PHE A 5 -25.915 -40.035 -6.446 1.00 -5.79 C ATOM 100 CD1 PHE A 5 -26.029 -41.427 -6.273 1.00 -5.79 C ATOM 101 HD1 PHE A 5 -26.853 -41.837 -5.711 1.00 -5.79 H ATOM 102 CD2 PHE A 5 -24.843 -39.524 -7.199 1.00 -5.79 C ATOM 103 HD2 PHE A 5 -24.741 -38.458 -7.343 1.00 -5.79 H ATOM 104 CE1 PHE A 5 -25.073 -42.308 -6.836 1.00 -5.79 C ATOM 105 HE1 PHE A 5 -25.168 -43.375 -6.694 1.00 -5.79 H ATOM 106 CE2 PHE A 5 -23.878 -40.392 -7.769 1.00 -5.79 C ATOM 107 HE2 PHE A 5 -23.054 -39.989 -8.339 1.00 -5.79 H ATOM 108 CZ PHE A 5 -23.992 -41.788 -7.581 1.00 -5.79 C ATOM 109 HZ PHE A 5 -23.255 -42.454 -8.006 1.00 -5.79 H ATOM 110 N LYS A 6 -27.437 -36.205 -4.219 1.00-12.24 N ATOM 111 H LYS A 6 -26.742 -35.855 -4.862 1.00-12.24 H ATOM 112 CA LYS A 6 -28.301 -35.244 -3.512 1.00-12.24 C ATOM 113 HA LYS A 6 -28.139 -35.378 -2.442 1.00-12.24 H ATOM 114 C LYS A 6 -29.802 -35.420 -3.734 1.00-12.24 C ATOM 115 O LYS A 6 -30.613 -34.902 -2.972 1.00-12.24 O ATOM 116 CB LYS A 6 -27.910 -33.808 -3.882 1.00-12.24 C ATOM 117 1HB LYS A 6 -28.054 -33.674 -4.954 1.00-12.24 H ATOM 118 2HB LYS A 6 -28.580 -33.125 -3.359 1.00-12.24 H ATOM 119 CG LYS A 6 -26.470 -33.432 -3.529 1.00-12.24 C ATOM 120 1HG LYS A 6 -26.312 -33.585 -2.462 1.00-12.24 H ATOM 121 2HG LYS A 6 -25.781 -34.067 -4.086 1.00-12.24 H ATOM 122 CD LYS A 6 -26.186 -31.972 -3.873 1.00-12.24 C ATOM 123 1HD LYS A 6 -26.391 -31.811 -4.932 1.00-12.24 H ATOM 124 2HD LYS A 6 -26.845 -31.333 -3.282 1.00-12.24 H ATOM 125 CE LYS A 6 -24.730 -31.604 -3.582 1.00-12.24 C ATOM 126 1HE LYS A 6 -24.523 -31.790 -2.526 1.00-12.24 H ATOM 127 2HE LYS A 6 -24.078 -32.245 -4.179 1.00-12.24 H ATOM 128 NZ LYS A 6 -24.436 -30.160 -3.901 1.00-12.24 N ATOM 129 1HZ LYS A 6 -23.465 -29.954 -3.702 1.00-12.24 H ATOM 130 2HZ LYS A 6 -25.022 -29.555 -3.340 1.00-12.24 H ATOM 131 3HZ LYS A 6 -24.616 -29.979 -4.880 1.00-12.24 H ATOM 132 N LYS A 7 -30.186 -36.175 -4.753 1.00 -2.46 N ATOM 133 H LYS A 7 -29.490 -36.576 -5.358 1.00 -2.46 H ATOM 134 CA LYS A 7 -31.600 -36.470 -4.981 1.00 -2.46 C ATOM 135 HA LYS A 7 -32.168 -35.550 -4.836 1.00 -2.46 H ATOM 136 C LYS A 7 -32.121 -37.500 -3.979 1.00 -2.46 C ATOM 137 O LYS A 7 -33.303 -37.512 -3.680 1.00 -2.46 O ATOM 138 CB LYS A 7 -31.818 -36.943 -6.423 1.00 -2.46 C ATOM 139 1HB LYS A 7 -31.226 -36.306 -7.079 1.00 -2.46 H ATOM 140 2HB LYS A 7 -31.467 -37.971 -6.524 1.00 -2.46 H ATOM 141 CG LYS A 7 -33.275 -36.852 -6.877 1.00 -2.46 C ATOM 142 1HG LYS A 7 -33.893 -37.496 -6.252 1.00 -2.46 H ATOM 143 2HG LYS A 7 -33.611 -35.821 -6.759 1.00 -2.46 H ATOM 144 CD LYS A 7 -33.451 -37.256 -8.335 1.00 -2.46 C ATOM 145 1HD LYS A 7 -32.789 -36.653 -8.957 1.00 -2.46 H ATOM 146 2HD LYS A 7 -33.192 -38.309 -8.448 1.00 -2.46 H ATOM 147 CE LYS A 7 -34.899 -37.031 -8.774 1.00 -2.46 C ATOM 148 1HE LYS A 7 -35.558 -37.595 -8.111 1.00 -2.46 H ATOM 149 2HE LYS A 7 -35.137 -35.970 -8.667 1.00 -2.46 H ATOM 150 NZ LYS A 7 -35.150 -37.452 -10.199 1.00 -2.46 N ATOM 151 1HZ LYS A 7 -36.118 -37.283 -10.441 1.00 -2.46 H ATOM 152 2HZ LYS A 7 -34.951 -38.437 -10.308 1.00 -2.46 H ATOM 153 3HZ LYS A 7 -34.557 -36.922 -10.825 1.00 -2.46 H ATOM 154 N ILE A 8 -31.257 -38.336 -3.421 1.00 20.59 N ATOM 155 H ILE A 8 -30.264 -38.263 -3.615 1.00 20.59 H ATOM 156 CA ILE A 8 -31.710 -39.378 -2.492 1.00 20.59 C ATOM 157 HA ILE A 8 -32.554 -39.869 -2.962 1.00 20.59 H ATOM 158 C ILE A 8 -32.245 -38.786 -1.179 1.00 20.59 C ATOM 159 O ILE A 8 -33.382 -39.091 -0.815 1.00 20.59 O ATOM 160 CB ILE A 8 -30.633 -40.481 -2.248 1.00 20.59 C ATOM 161 HB ILE A 8 -29.770 -40.029 -1.768 1.00 20.59 H ATOM 162 CG1 ILE A 8 -30.183 -41.080 -3.599 1.00 20.59 C ATOM 163 1HG1 ILE A 8 -31.030 -41.606 -4.042 1.00 20.59 H ATOM 164 2HG1 ILE A 8 -29.902 -40.275 -4.274 1.00 20.59 H ATOM 165 CG2 ILE A 8 -31.194 -41.590 -1.317 1.00 20.59 C ATOM 166 1HG2 ILE A 8 -30.429 -42.339 -1.109 1.00 20.59 H ATOM 167 2HG2 ILE A 8 -32.051 -42.081 -1.784 1.00 20.59 H ATOM 168 3HG2 ILE A 8 -31.511 -41.167 -0.363 1.00 20.59 H ATOM 169 CD1 ILE A 8 -28.993 -42.048 -3.538 1.00 20.59 C ATOM 170 1HD1 ILE A 8 -28.734 -42.360 -4.550 1.00 20.59 H ATOM 171 2HD1 ILE A 8 -29.252 -42.936 -2.961 1.00 20.59 H ATOM 172 3HD1 ILE A 8 -28.134 -41.555 -3.084 1.00 20.59 H ATOM 173 N PRO A 9 -31.515 -37.870 -0.502 1.00 19.48 N ATOM 174 CA PRO A 9 -32.243 -37.232 0.606 1.00 19.48 C ATOM 175 HA PRO A 9 -32.495 -37.978 1.358 1.00 19.48 H ATOM 176 C PRO A 9 -33.509 -36.474 0.212 1.00 19.48 C ATOM 177 O PRO A 9 -34.417 -36.332 1.024 1.00 19.48 O ATOM 178 CB PRO A 9 -31.220 -36.243 1.173 1.00 19.48 C ATOM 179 1HB PRO A 9 -31.351 -35.263 0.715 1.00 19.48 H ATOM 180 2HB PRO A 9 -31.309 -36.173 2.257 1.00 19.48 H ATOM 181 CG PRO A 9 -29.925 -36.808 0.801 1.00 19.48 C ATOM 182 1HG PRO A 9 -29.158 -36.043 0.805 1.00 19.48 H ATOM 183 2HG PRO A 9 -29.667 -37.619 1.481 1.00 19.48 H ATOM 184 CD PRO A 9 -30.141 -37.337 -0.575 1.00 19.48 C ATOM 185 1HD PRO A 9 -30.078 -36.537 -1.305 1.00 19.48 H ATOM 186 2HD PRO A 9 -29.419 -38.122 -0.797 1.00 19.48 H ATOM 187 N LYS A 10 -33.627 -36.006 -1.024 1.00 -4.35 N ATOM 188 H LYS A 10 -32.861 -36.100 -1.678 1.00 -4.35 H ATOM 189 CA LYS A 10 -34.878 -35.384 -1.468 1.00 -4.35 C ATOM 190 HA LYS A 10 -35.262 -34.791 -0.646 1.00 -4.35 H ATOM 191 C LYS A 10 -35.989 -36.388 -1.765 1.00 -4.35 C ATOM 192 O LYS A 10 -37.148 -36.046 -1.576 1.00 -4.35 O ATOM 193 CB LYS A 10 -34.639 -34.434 -2.647 1.00 -4.35 C ATOM 194 1HB LYS A 10 -34.157 -34.984 -3.454 1.00 -4.35 H ATOM 195 2HB LYS A 10 -35.606 -34.080 -3.005 1.00 -4.35 H ATOM 196 CG LYS A 10 -33.778 -33.205 -2.293 1.00 -4.35 C ATOM 197 1HG LYS A 10 -32.814 -33.539 -1.911 1.00 -4.35 H ATOM 198 2HG LYS A 10 -33.610 -32.624 -3.199 1.00 -4.35 H ATOM 199 CD LYS A 10 -34.448 -32.300 -1.242 1.00 -4.35 C ATOM 200 1HD LYS A 10 -35.426 -31.990 -1.610 1.00 -4.35 H ATOM 201 2HD LYS A 10 -34.581 -32.862 -0.321 1.00 -4.35 H ATOM 202 CE LYS A 10 -33.620 -31.065 -0.911 1.00 -4.35 C ATOM 203 1HE LYS A 10 -32.629 -31.381 -0.579 1.00 -4.35 H ATOM 204 2HE LYS A 10 -33.513 -30.451 -1.809 1.00 -4.35 H ATOM 205 NZ LYS A 10 -34.283 -30.263 0.183 1.00 -4.35 N ATOM 206 1HZ LYS A 10 -33.700 -29.479 0.442 1.00 -4.35 H ATOM 207 2HZ LYS A 10 -34.434 -30.846 1.002 1.00 -4.35 H ATOM 208 3HZ LYS A 10 -35.178 -29.920 -0.135 1.00 -4.35 H ATOM 209 N PHE A 11 -35.686 -37.646 -2.051 1.00 0.84 N ATOM 210 H PHE A 11 -34.728 -37.910 -2.256 1.00 0.84 H ATOM 211 CA PHE A 11 -36.729 -38.676 -2.039 1.00 0.84 C ATOM 212 HA PHE A 11 -37.564 -38.345 -2.653 1.00 0.84 H ATOM 213 C PHE A 11 -37.231 -38.858 -0.610 1.00 0.84 C ATOM 214 O PHE A 11 -38.414 -39.069 -0.366 1.00 0.84 O ATOM 215 CB PHE A 11 -36.232 -40.031 -2.553 1.00 0.84 C ATOM 216 1HB PHE A 11 -35.386 -40.356 -1.949 1.00 0.84 H ATOM 217 2HB PHE A 11 -37.036 -40.755 -2.423 1.00 0.84 H ATOM 218 CG PHE A 11 -35.831 -40.038 -4.005 1.00 0.84 C ATOM 219 CD1 PHE A 11 -34.624 -40.646 -4.395 1.00 0.84 C ATOM 220 HD1 PHE A 11 -33.987 -41.095 -3.648 1.00 0.84 H ATOM 221 CD2 PHE A 11 -36.676 -39.504 -4.997 1.00 0.84 C ATOM 222 HD2 PHE A 11 -37.616 -39.047 -4.721 1.00 0.84 H ATOM 223 CE1 PHE A 11 -34.244 -40.708 -5.757 1.00 0.84 C ATOM 224 HE1 PHE A 11 -33.311 -41.175 -6.036 1.00 0.84 H ATOM 225 CE2 PHE A 11 -36.322 -39.578 -6.368 1.00 0.84 C ATOM 226 HE2 PHE A 11 -36.994 -39.187 -7.117 1.00 0.84 H ATOM 227 CZ PHE A 11 -35.101 -40.184 -6.747 1.00 0.84 C ATOM 228 HZ PHE A 11 -34.830 -40.258 -7.789 1.00 0.84 H ATOM 229 N LEU A 12 -36.343 -38.691 0.359 1.00 -8.28 N ATOM 230 H LEU A 12 -35.371 -38.525 0.120 1.00 -8.28 H ATOM 231 CA LEU A 12 -36.728 -38.763 1.769 1.00 -8.28 C ATOM 232 HA LEU A 12 -37.436 -39.583 1.887 1.00 -8.28 H ATOM 233 C LEU A 12 -37.438 -37.489 2.238 1.00 -8.28 C ATOM 234 O LEU A 12 -37.917 -37.432 3.369 1.00 -8.28 O ATOM 235 CB LEU A 12 -35.507 -39.051 2.655 1.00 -8.28 C ATOM 236 1HB LEU A 12 -34.837 -38.199 2.598 1.00 -8.28 H ATOM 237 2HB LEU A 12 -35.853 -39.125 3.686 1.00 -8.28 H ATOM 238 CG LEU A 12 -34.682 -40.313 2.347 1.00 -8.28 C ATOM 239 HG LEU A 12 -34.342 -40.267 1.316 1.00 -8.28 H ATOM 240 CD1 LEU A 12 -33.448 -40.353 3.248 1.00 -8.28 C ATOM 241 1HD1 LEU A 12 -32.837 -41.218 2.988 1.00 -8.28 H ATOM 242 2HD1 LEU A 12 -33.743 -40.427 4.295 1.00 -8.28 H ATOM 243 3HD1 LEU A 12 -32.851 -39.453 3.102 1.00 -8.28 H ATOM 244 CD2 LEU A 12 -35.485 -41.601 2.527 1.00 -8.28 C ATOM 245 1HD2 LEU A 12 -34.846 -42.463 2.328 1.00 -8.28 H ATOM 246 2HD2 LEU A 12 -36.314 -41.625 1.820 1.00 -8.28 H ATOM 247 3HD2 LEU A 12 -35.873 -41.671 3.544 1.00 -8.28 H ATOM 248 N HIS A 13 -37.549 -36.480 1.382 1.00 -3.07 N ATOM 249 H HIS A 13 -37.055 -36.519 0.502 1.00 -3.07 H ATOM 250 CA HIS A 13 -38.465 -35.361 1.625 1.00 -3.07 C ATOM 251 HA HIS A 13 -38.620 -35.227 2.695 1.00 -3.07 H ATOM 252 C HIS A 13 -39.809 -35.687 0.971 1.00 -3.07 C ATOM 253 O HIS A 13 -40.859 -35.474 1.566 1.00 -3.07 O ATOM 254 CB HIS A 13 -37.980 -34.038 1.009 1.00 -3.07 C ATOM 255 1HB HIS A 13 -37.716 -34.198 -0.032 1.00 -3.07 H ATOM 256 2HB HIS A 13 -38.810 -33.332 1.035 1.00 -3.07 H ATOM 257 CG HIS A 13 -36.822 -33.398 1.712 1.00 -3.07 C ATOM 258 ND1 HIS A 13 -35.640 -34.022 2.031 1.00 -3.07 N ATOM 259 HD1 HIS A 13 -35.403 -34.998 1.854 1.00 -3.07 H ATOM 260 CD2 HIS A 13 -36.659 -32.115 2.129 1.00 -3.07 C ATOM 261 HD2 HIS A 13 -37.410 -31.341 2.050 1.00 -3.07 H ATOM 262 CE1 HIS A 13 -34.830 -33.126 2.596 1.00 -3.07 C ATOM 263 HE1 HIS A 13 -33.836 -33.347 2.962 1.00 -3.07 H ATOM 264 NE2 HIS A 13 -35.390 -31.934 2.636 1.00 -3.07 N ATOM 265 N SER A 14 -39.796 -36.188 -0.259 1.00-12.83 N ATOM 266 H SER A 14 -38.917 -36.378 -0.734 1.00-12.83 H ATOM 267 CA SER A 14 -41.040 -36.411 -0.998 1.00-12.83 C ATOM 268 HA SER A 14 -41.641 -35.503 -0.937 1.00-12.83 H ATOM 269 C SER A 14 -41.873 -37.540 -0.410 1.00-12.83 C ATOM 270 O SER A 14 -43.093 -37.518 -0.499 1.00-12.83 O ATOM 271 CB SER A 14 -40.746 -36.687 -2.474 1.00-12.83 C ATOM 272 1HB SER A 14 -41.686 -36.826 -3.009 1.00-12.83 H ATOM 273 2HB SER A 14 -40.226 -35.825 -2.893 1.00-12.83 H ATOM 274 OG SER A 14 -39.928 -37.831 -2.641 1.00-12.83 O ATOM 275 HG SER A 14 -40.424 -38.614 -2.379 1.00-12.83 H ATOM 276 N ALA A 15 -41.230 -38.482 0.268 1.00 -2.25 N ATOM 277 H ALA A 15 -40.214 -38.474 0.278 1.00 -2.25 H ATOM 278 CA ALA A 15 -41.919 -39.564 0.973 1.00 -2.25 C ATOM 279 HA ALA A 15 -42.617 -40.037 0.279 1.00 -2.25 H ATOM 280 C ALA A 15 -42.735 -39.090 2.188 1.00 -2.25 C ATOM 281 O ALA A 15 -43.386 -39.886 2.852 1.00 -2.25 O ATOM 282 CB ALA A 15 -40.884 -40.611 1.410 1.00 -2.25 C ATOM 283 1HB ALA A 15 -40.338 -40.977 0.539 1.00 -2.25 H ATOM 284 2HB ALA A 15 -41.397 -41.450 1.886 1.00 -2.25 H ATOM 285 3HB ALA A 15 -40.184 -40.170 2.120 1.00 -2.25 H ATOM 286 N LYS A 16 -42.656 -37.803 2.501 1.00-13.11 N ATOM 287 H LYS A 16 -42.068 -37.196 1.941 1.00-13.11 H ATOM 288 CA LYS A 16 -43.375 -37.203 3.629 1.00-13.11 C ATOM 289 HA LYS A 16 -43.881 -37.978 4.207 1.00-13.11 H ATOM 290 C LYS A 16 -44.430 -36.224 3.135 1.00-13.11 C ATOM 291 O LYS A 16 -45.062 -35.541 3.933 1.00-13.11 O ATOM 292 CB LYS A 16 -42.370 -36.483 4.530 1.00-13.11 C ATOM 293 1HB LYS A 16 -41.863 -35.723 3.939 1.00-13.11 H ATOM 294 2HB LYS A 16 -42.902 -35.988 5.343 1.00-13.11 H ATOM 295 CG LYS A 16 -41.330 -37.419 5.130 1.00-13.11 C ATOM 296 1HG LYS A 16 -41.809 -38.072 5.860 1.00-13.11 H ATOM 297 2HG LYS A 16 -40.892 -38.032 4.343 1.00-13.11 H ATOM 298 CD LYS A 16 -40.208 -36.648 5.785 1.00-13.11 C ATOM 299 1HD LYS A 16 -39.751 -36.005 5.032 1.00-13.11 H ATOM 300 2HD LYS A 16 -40.594 -36.036 6.601 1.00-13.11 H ATOM 301 CE LYS A 16 -39.163 -37.620 6.310 1.00-13.11 C ATOM 302 1HE LYS A 16 -39.460 -37.984 7.296 1.00-13.11 H ATOM 303 2HE LYS A 16 -39.096 -38.467 5.622 1.00-13.11 H ATOM 304 NZ LYS A 16 -37.827 -36.950 6.365 1.00-13.11 N ATOM 305 1HZ LYS A 16 -37.141 -37.578 6.759 1.00-13.11 H ATOM 306 2HZ LYS A 16 -37.882 -36.110 6.924 1.00-13.11 H ATOM 307 3HZ LYS A 16 -37.549 -36.711 5.418 1.00-13.11 H ATOM 308 N LYS A 17 -44.610 -36.126 1.825 1.00 -1.44 N ATOM 309 H LYS A 17 -44.090 -36.720 1.191 1.00 -1.44 H ATOM 310 CA LYS A 17 -45.637 -35.242 1.276 1.00 -1.44 C ATOM 311 HA LYS A 17 -45.667 -34.317 1.850 1.00 -1.44 H ATOM 312 C LYS A 17 -46.962 -35.969 1.434 1.00 -1.44 C ATOM 313 O LYS A 17 -47.088 -37.121 1.029 1.00 -1.44 O ATOM 314 CB LYS A 17 -45.362 -34.932 -0.204 1.00 -1.44 C ATOM 315 1HB LYS A 17 -44.371 -34.483 -0.270 1.00 -1.44 H ATOM 316 2HB LYS A 17 -45.343 -35.867 -0.764 1.00 -1.44 H ATOM 317 CG LYS A 17 -46.365 -33.975 -0.872 1.00 -1.44 C ATOM 318 1HG LYS A 17 -46.805 -33.337 -0.106 1.00 -1.44 H ATOM 319 2HG LYS A 17 -45.823 -33.347 -1.579 1.00 -1.44 H ATOM 320 CD LYS A 17 -47.483 -34.708 -1.635 1.00 -1.44 C ATOM 321 1HD LYS A 17 -47.028 -35.332 -2.404 1.00 -1.44 H ATOM 322 2HD LYS A 17 -48.031 -35.355 -0.951 1.00 -1.44 H ATOM 323 CE LYS A 17 -48.471 -33.742 -2.297 1.00 -1.44 C ATOM 324 1HE LYS A 17 -47.905 -33.010 -2.874 1.00 -1.44 H ATOM 325 2HE LYS A 17 -49.100 -34.311 -2.984 1.00 -1.44 H ATOM 326 NZ LYS A 17 -49.362 -33.022 -1.321 1.00 -1.44 N ATOM 327 1HZ LYS A 17 -49.940 -32.342 -1.789 1.00 -1.44 H ATOM 328 2HZ LYS A 17 -48.814 -32.570 -0.599 1.00 -1.44 H ATOM 329 3HZ LYS A 17 -49.968 -33.687 -0.835 1.00 -1.44 H ATOM 330 N PHE A 18 -47.952 -35.250 1.935 1.00-31.16 N ATOM 331 H PHE A 18 -47.792 -34.302 2.243 1.00-31.16 H ATOM 332 CA PHE A 18 -49.340 -35.679 1.958 1.00-31.16 C ATOM 333 HA PHE A 18 -49.490 -36.555 1.328 1.00-31.16 H ATOM 334 C PHE A 18 -49.974 -34.456 1.326 1.00-31.16 C ATOM 335 O PHE A 18 -50.911 -34.569 0.514 1.00-31.16 O ATOM 336 OXT PHE A 18 -49.341 -33.386 1.495 1.00-31.16 O ATOM 337 CB PHE A 18 -49.795 -35.954 3.392 1.00-31.16 C ATOM 338 1HB PHE A 18 -49.686 -35.040 3.976 1.00-31.16 H ATOM 339 2HB PHE A 18 -50.848 -36.233 3.378 1.00-31.16 H ATOM 340 CG PHE A 18 -49.004 -37.050 4.057 1.00-31.16 C ATOM 341 CD1 PHE A 18 -47.927 -36.739 4.907 1.00-31.16 C ATOM 342 HD1 PHE A 18 -47.680 -35.706 5.106 1.00-31.16 H ATOM 343 CD2 PHE A 18 -49.300 -38.399 3.795 1.00-31.16 C ATOM 344 HD2 PHE A 18 -50.119 -38.649 3.136 1.00-31.16 H ATOM 345 CE1 PHE A 18 -47.138 -37.765 5.486 1.00-31.16 C ATOM 346 HE1 PHE A 18 -46.304 -37.509 6.123 1.00-31.16 H ATOM 347 CE2 PHE A 18 -48.525 -39.439 4.371 1.00-31.16 C ATOM 348 HE2 PHE A 18 -48.757 -40.471 4.156 1.00-31.16 H ATOM 349 CZ PHE A 18 -47.438 -39.118 5.217 1.00-31.16 C ATOM 350 HZ PHE A 18 -46.834 -39.904 5.647 1.00-31.16 H TER 351 PHE A 18 END
SEQUENCE	KWKLFKKIPKFLHSAKKF
HELICITY	94.40	INSTAB. INDEX	-9.94	FLEXIBILITY	6.93
a HYD. MOM.	61.36	b HYD. MOM.	30.02	c HYD. MOM	5.73
a MEAN HYD. MOM.	3.41	b MEAN HYD. MOM.	1.67	c MEAN HYD. MOM.	0.32
CHARGE pH5	7.91	CHARGE pH7	7.09	CHARGE pH9	6.62
Δ CHARGE pH5-pH9	1.29	ISOELECTRIC POINT	10.78	BOMAN INDEX	1.06
ΔG	12	CPP	0,22	MLP	-18,65
MOLECULAR VOLUME		POLARITY
MIC E. coli	6	MIC P. aeruginosa	3	MIC S. typhimurium	0,78
MIC S. aureus	3	MIC M. luteus		MIC B. subtilis	2
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	1998
TITLE PAPER	Effects of the hinge region of cecropin A(1-8)-magainin 2(1-12), a synthetic antimicrobial peptide, on liposomes, bacterial and tumor cells