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ID	1270	NAME	LR4   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\RIKRFWPVVIRTVVAGYNLYRAI.pdb REMARK YASARA Written on: Wed May 14 13:03:12 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 416 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: CATHELICIDIN; COMPND 3 CHAIN: A; SEQRES 1 A 23 ARG ILE LYS ARG PHE TRP PRO VAL VAL ILE ARG THR VAL SEQRES 2 A 23 VAL ALA GLY TYR ASN LEU TYR ARG ALA ILE 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 ARG A 1 10.887 -29.393 15.319 1.00-26.63 N ATOM 2 1H ARG A 1 10.033 -29.673 14.858 1.00-26.63 H ATOM 3 2H ARG A 1 11.679 -29.793 14.833 1.00-26.63 H ATOM 4 3H ARG A 1 10.964 -28.385 15.300 1.00-26.63 H ATOM 5 CA ARG A 1 10.881 -29.873 16.734 1.00-26.63 C ATOM 6 HA ARG A 1 10.053 -29.413 17.271 1.00-26.63 H ATOM 7 C ARG A 1 12.179 -29.475 17.412 1.00-26.63 C ATOM 8 O ARG A 1 13.238 -29.766 16.879 1.00-26.63 O ATOM 9 CB ARG A 1 10.714 -31.406 16.756 1.00-26.63 C ATOM 10 1HB ARG A 1 9.736 -31.651 16.341 1.00-26.63 H ATOM 11 2HB ARG A 1 11.475 -31.845 16.111 1.00-26.63 H ATOM 12 CG ARG A 1 10.844 -32.060 18.138 1.00-26.63 C ATOM 13 1HG ARG A 1 11.868 -31.931 18.477 1.00-26.63 H ATOM 14 2HG ARG A 1 10.168 -31.570 18.839 1.00-26.63 H ATOM 15 CD ARG A 1 10.549 -33.554 18.129 1.00-26.63 C ATOM 16 1HD ARG A 1 9.505 -33.709 17.854 1.00-26.63 H ATOM 17 2HD ARG A 1 11.187 -34.040 17.389 1.00-26.63 H ATOM 18 NE ARG A 1 10.808 -34.158 19.448 1.00-26.63 N ATOM 19 HE ARG A 1 11.205 -33.558 20.156 1.00-26.63 H ATOM 20 CZ ARG A 1 10.581 -35.418 19.794 1.00-26.63 C ATOM 21 NH1 ARG A 1 10.932 -35.815 20.982 1.00-26.63 N ATOM 22 1HH1 ARG A 1 11.449 -35.190 21.599 1.00-26.63 H ATOM 23 2HH1 ARG A 1 10.708 -36.743 21.289 1.00-26.63 H ATOM 24 NH2 ARG A 1 10.007 -36.295 19.010 1.00-26.63 N ATOM 25 1HH2 ARG A 1 9.715 -36.025 18.088 1.00-26.63 H ATOM 26 2HH2 ARG A 1 9.850 -37.235 19.330 1.00-26.63 H ATOM 27 N ILE A 2 12.109 -28.811 18.560 1.00-18.02 N ATOM 28 H ILE A 2 11.220 -28.541 18.951 1.00-18.02 H ATOM 29 CA ILE A 2 13.304 -28.530 19.360 1.00-18.02 C ATOM 30 HA ILE A 2 14.092 -28.104 18.738 1.00-18.02 H ATOM 31 C ILE A 2 13.723 -29.902 19.877 1.00-18.02 C ATOM 32 O ILE A 2 12.862 -30.663 20.322 1.00-18.02 O ATOM 33 CB ILE A 2 12.988 -27.575 20.556 1.00-18.02 C ATOM 34 HB ILE A 2 12.198 -28.029 21.155 1.00-18.02 H ATOM 35 CG1 ILE A 2 12.477 -26.220 20.020 1.00-18.02 C ATOM 36 1HG1 ILE A 2 13.299 -25.718 19.508 1.00-18.02 H ATOM 37 2HG1 ILE A 2 11.690 -26.399 19.290 1.00-18.02 H ATOM 38 CG2 ILE A 2 14.237 -27.377 21.460 1.00-18.02 C ATOM 39 1HG2 ILE A 2 13.994 -26.730 22.302 1.00-18.02 H ATOM 40 2HG2 ILE A 2 15.051 -26.919 20.893 1.00-18.02 H ATOM 41 3HG2 ILE A 2 14.575 -28.333 21.865 1.00-18.02 H ATOM 42 CD1 ILE A 2 11.905 -25.261 21.077 1.00-18.02 C ATOM 43 1HD1 ILE A 2 11.482 -24.388 20.578 1.00-18.02 H ATOM 44 2HD1 ILE A 2 12.693 -24.926 21.752 1.00-18.02 H ATOM 45 3HD1 ILE A 2 11.119 -25.757 21.648 1.00-18.02 H ATOM 46 N LYS A 3 15.002 -30.246 19.801 1.00 -5.49 N ATOM 47 H LYS A 3 15.678 -29.589 19.441 1.00 -5.49 H ATOM 48 CA LYS A 3 15.463 -31.546 20.293 1.00 -5.49 C ATOM 49 HA LYS A 3 14.831 -32.329 19.875 1.00 -5.49 H ATOM 50 C LYS A 3 15.313 -31.574 21.809 1.00 -5.49 C ATOM 51 O LYS A 3 16.009 -30.867 22.528 1.00 -5.49 O ATOM 52 CB LYS A 3 16.920 -31.812 19.905 1.00 -5.49 C ATOM 53 1HB LYS A 3 17.540 -30.992 20.270 1.00 -5.49 H ATOM 54 2HB LYS A 3 17.241 -32.729 20.397 1.00 -5.49 H ATOM 55 CG LYS A 3 17.138 -31.971 18.405 1.00 -5.49 C ATOM 56 1HG LYS A 3 16.487 -32.762 18.033 1.00 -5.49 H ATOM 57 2HG LYS A 3 16.890 -31.037 17.901 1.00 -5.49 H ATOM 58 CD LYS A 3 18.587 -32.336 18.099 1.00 -5.49 C ATOM 59 1HD LYS A 3 19.242 -31.562 18.504 1.00 -5.49 H ATOM 60 2HD LYS A 3 18.823 -33.288 18.577 1.00 -5.49 H ATOM 61 CE LYS A 3 18.815 -32.456 16.593 1.00 -5.49 C ATOM 62 1HE LYS A 3 18.132 -33.209 16.192 1.00 -5.49 H ATOM 63 2HE LYS A 3 18.586 -31.496 16.124 1.00 -5.49 H ATOM 64 NZ LYS A 3 20.231 -32.845 16.261 1.00 -5.49 N ATOM 65 1HZ LYS A 3 20.343 -32.912 15.257 1.00 -5.49 H ATOM 66 2HZ LYS A 3 20.449 -33.740 16.677 1.00 -5.49 H ATOM 67 3HZ LYS A 3 20.872 -32.148 16.618 1.00 -5.49 H ATOM 68 N ARG A 4 14.357 -32.363 22.268 1.00 15.43 N ATOM 69 H ARG A 4 13.784 -32.878 21.614 1.00 15.43 H ATOM 70 CA ARG A 4 14.051 -32.551 23.679 1.00 15.43 C ATOM 71 HA ARG A 4 14.970 -32.597 24.265 1.00 15.43 H ATOM 72 C ARG A 4 13.365 -33.899 23.618 1.00 15.43 C ATOM 73 O ARG A 4 12.716 -34.192 22.605 1.00 15.43 O ATOM 74 CB ARG A 4 13.125 -31.440 24.185 1.00 15.43 C ATOM 75 1HB ARG A 4 13.594 -30.488 23.942 1.00 15.43 H ATOM 76 2HB ARG A 4 12.176 -31.499 23.651 1.00 15.43 H ATOM 77 CG ARG A 4 12.853 -31.480 25.688 1.00 15.43 C ATOM 78 1HG ARG A 4 12.313 -32.396 25.930 1.00 15.43 H ATOM 79 2HG ARG A 4 13.802 -31.477 26.224 1.00 15.43 H ATOM 80 CD ARG A 4 12.027 -30.280 26.143 1.00 15.43 C ATOM 81 1HD ARG A 4 11.100 -30.251 25.566 1.00 15.43 H ATOM 82 2HD ARG A 4 11.781 -30.405 27.199 1.00 15.43 H ATOM 83 NE ARG A 4 12.757 -29.012 25.968 1.00 15.43 N ATOM 84 HE ARG A 4 13.702 -29.089 25.626 1.00 15.43 H ATOM 85 CZ ARG A 4 12.297 -27.794 26.223 1.00 15.43 C ATOM 86 NH1 ARG A 4 13.085 -26.773 26.023 1.00 15.43 N ATOM 87 1HH1 ARG A 4 14.027 -26.915 25.698 1.00 15.43 H ATOM 88 2HH1 ARG A 4 12.756 -25.840 26.202 1.00 15.43 H ATOM 89 NH2 ARG A 4 11.086 -27.552 26.658 1.00 15.43 N ATOM 90 1HH2 ARG A 4 10.458 -28.320 26.829 1.00 15.43 H ATOM 91 2HH2 ARG A 4 10.785 -26.609 26.831 1.00 15.43 H ATOM 92 N PHE A 5 13.563 -34.723 24.630 1.00 13.89 N ATOM 93 H PHE A 5 14.009 -34.392 25.475 1.00 13.89 H ATOM 94 CA PHE A 5 13.183 -36.129 24.619 1.00 13.89 C ATOM 95 HA PHE A 5 12.288 -36.298 24.021 1.00 13.89 H ATOM 96 C PHE A 5 12.931 -36.412 26.091 1.00 13.89 C ATOM 97 O PHE A 5 13.047 -35.490 26.898 1.00 13.89 O ATOM 98 CB PHE A 5 14.350 -36.996 24.127 1.00 13.89 C ATOM 99 1HB PHE A 5 15.133 -36.980 24.884 1.00 13.89 H ATOM 100 2HB PHE A 5 14.004 -38.022 24.012 1.00 13.89 H ATOM 101 CG PHE A 5 14.959 -36.537 22.829 1.00 13.89 C ATOM 102 CD1 PHE A 5 16.165 -35.810 22.830 1.00 13.89 C ATOM 103 HD1 PHE A 5 16.673 -35.610 23.761 1.00 13.89 H ATOM 104 CD2 PHE A 5 14.333 -36.820 21.602 1.00 13.89 C ATOM 105 HD2 PHE A 5 13.420 -37.395 21.584 1.00 13.89 H ATOM 106 CE1 PHE A 5 16.726 -35.332 21.623 1.00 13.89 C ATOM 107 HE1 PHE A 5 17.650 -34.773 21.642 1.00 13.89 H ATOM 108 CE2 PHE A 5 14.883 -36.350 20.382 1.00 13.89 C ATOM 109 HE2 PHE A 5 14.395 -36.575 19.446 1.00 13.89 H ATOM 110 CZ PHE A 5 16.082 -35.600 20.395 1.00 13.89 C ATOM 111 HZ PHE A 5 16.509 -35.246 19.469 1.00 13.89 H ATOM 112 N TRP A 6 12.693 -37.662 26.461 1.00 11.95 N ATOM 113 H TRP A 6 12.561 -38.383 25.773 1.00 11.95 H ATOM 114 CA TRP A 6 12.709 -38.043 27.872 1.00 11.95 C ATOM 115 HA TRP A 6 11.960 -37.463 28.412 1.00 11.95 H ATOM 116 C TRP A 6 14.106 -37.736 28.413 1.00 11.95 C ATOM 117 O TRP A 6 15.078 -37.838 27.660 1.00 11.95 O ATOM 118 CB TRP A 6 12.417 -39.539 28.006 1.00 11.95 C ATOM 119 1HB TRP A 6 13.261 -40.102 27.611 1.00 11.95 H ATOM 120 2HB TRP A 6 12.298 -39.784 29.061 1.00 11.95 H ATOM 121 CG TRP A 6 11.186 -39.948 27.262 1.00 11.95 C ATOM 122 CD1 TRP A 6 11.116 -40.763 26.172 1.00 11.95 C ATOM 123 HD1 TRP A 6 11.973 -41.241 25.713 1.00 11.95 H ATOM 124 CD2 TRP A 6 9.826 -39.562 27.539 1.00 11.95 C ATOM 125 NE1 TRP A 6 9.827 -40.912 25.741 1.00 11.95 N ATOM 126 HE1 TRP A 6 9.542 -41.488 24.960 1.00 11.95 H ATOM 127 CE2 TRP A 6 9.004 -40.176 26.549 1.00 11.95 C ATOM 128 CE3 TRP A 6 9.216 -38.748 28.517 1.00 11.95 C ATOM 129 HE3 TRP A 6 9.807 -38.277 29.286 1.00 11.95 H ATOM 130 CZ2 TRP A 6 7.606 -39.994 26.510 1.00 11.95 C ATOM 131 HZ2 TRP A 6 7.005 -40.478 25.755 1.00 11.95 H ATOM 132 CZ3 TRP A 6 7.810 -38.558 28.478 1.00 11.95 C ATOM 133 HZ3 TRP A 6 7.330 -37.936 29.221 1.00 11.95 H ATOM 134 CH2 TRP A 6 7.022 -39.188 27.470 1.00 11.95 C ATOM 135 HH2 TRP A 6 5.951 -39.039 27.463 1.00 11.95 H ATOM 136 N PRO A 7 14.254 -37.403 29.707 1.00 18.93 N ATOM 137 CA PRO A 7 15.603 -36.953 30.083 1.00 18.93 C ATOM 138 HA PRO A 7 15.914 -36.148 29.420 1.00 18.93 H ATOM 139 C PRO A 7 16.693 -38.022 30.057 1.00 18.93 C ATOM 140 O PRO A 7 17.867 -37.699 29.918 1.00 18.93 O ATOM 141 CB PRO A 7 15.391 -36.391 31.491 1.00 18.93 C ATOM 142 1HB PRO A 7 16.288 -36.507 32.099 1.00 18.93 H ATOM 143 2HB PRO A 7 15.100 -35.341 31.435 1.00 18.93 H ATOM 144 CG PRO A 7 14.258 -37.192 32.030 1.00 18.93 C ATOM 145 1HG PRO A 7 14.609 -38.177 32.340 1.00 18.93 H ATOM 146 2HG PRO A 7 13.776 -36.677 32.861 1.00 18.93 H ATOM 147 CD PRO A 7 13.324 -37.305 30.849 1.00 18.93 C ATOM 148 1HD PRO A 7 12.703 -38.198 30.934 1.00 18.93 H ATOM 149 2HD PRO A 7 12.707 -36.409 30.759 1.00 18.93 H ATOM 150 N VAL A 8 16.325 -39.294 30.115 1.00-16.44 N ATOM 151 H VAL A 8 15.358 -39.531 30.270 1.00-16.44 H ATOM 152 CA VAL A 8 17.295 -40.377 29.940 1.00-16.44 C ATOM 153 HA VAL A 8 18.125 -40.230 30.631 1.00-16.44 H ATOM 154 C VAL A 8 17.836 -40.341 28.511 1.00-16.44 C ATOM 155 O VAL A 8 19.031 -40.474 28.274 1.00-16.44 O ATOM 156 CB VAL A 8 16.634 -41.755 30.225 1.00-16.44 C ATOM 157 HB VAL A 8 15.815 -41.908 29.523 1.00-16.44 H ATOM 158 CG1 VAL A 8 17.633 -42.909 30.063 1.00-16.44 C ATOM 159 1HG1 VAL A 8 17.147 -43.859 30.294 1.00-16.44 H ATOM 160 2HG1 VAL A 8 18.485 -42.775 30.731 1.00-16.44 H ATOM 161 3HG1 VAL A 8 17.996 -42.957 29.035 1.00-16.44 H ATOM 162 CG2 VAL A 8 16.044 -41.784 31.648 1.00-16.44 C ATOM 163 1HG2 VAL A 8 15.632 -42.775 31.853 1.00-16.44 H ATOM 164 2HG2 VAL A 8 15.238 -41.059 31.750 1.00-16.44 H ATOM 165 3HG2 VAL A 8 16.820 -41.569 32.384 1.00-16.44 H ATOM 166 N VAL A 9 16.958 -40.091 27.551 1.00-11.80 N ATOM 167 H VAL A 9 15.992 -39.924 27.783 1.00-11.80 H ATOM 168 CA VAL A 9 17.344 -40.030 26.144 1.00-11.80 C ATOM 169 HA VAL A 9 17.982 -40.884 25.918 1.00-11.80 H ATOM 170 C VAL A 9 18.150 -38.756 25.890 1.00-11.80 C ATOM 171 O VAL A 9 19.122 -38.791 25.151 1.00-11.80 O ATOM 172 CB VAL A 9 16.093 -40.107 25.226 1.00-11.80 C ATOM 173 HB VAL A 9 15.453 -39.259 25.445 1.00-11.80 H ATOM 174 CG1 VAL A 9 16.474 -40.068 23.738 1.00-11.80 C ATOM 175 1HG1 VAL A 9 15.581 -40.164 23.120 1.00-11.80 H ATOM 176 2HG1 VAL A 9 17.161 -40.884 23.502 1.00-11.80 H ATOM 177 3HG1 VAL A 9 16.957 -39.120 23.498 1.00-11.80 H ATOM 178 CG2 VAL A 9 15.293 -41.391 25.513 1.00-11.80 C ATOM 179 1HG2 VAL A 9 14.441 -41.455 24.835 1.00-11.80 H ATOM 180 2HG2 VAL A 9 14.920 -41.394 26.535 1.00-11.80 H ATOM 181 3HG2 VAL A 9 15.928 -42.267 25.362 1.00-11.80 H ATOM 182 N ILE A 10 17.838 -37.655 26.563 1.00 -1.96 N ATOM 183 H ILE A 10 17.022 -37.647 27.166 1.00 -1.96 H ATOM 184 CA ILE A 10 18.672 -36.449 26.449 1.00 -1.96 C ATOM 185 HA ILE A 10 18.749 -36.181 25.395 1.00 -1.96 H ATOM 186 C ILE A 10 20.084 -36.774 26.947 1.00 -1.96 C ATOM 187 O ILE A 10 21.071 -36.448 26.289 1.00 -1.96 O ATOM 188 CB ILE A 10 18.094 -35.226 27.237 1.00 -1.96 C ATOM 189 HB ILE A 10 17.990 -35.506 28.285 1.00 -1.96 H ATOM 190 CG1 ILE A 10 16.705 -34.837 26.689 1.00 -1.96 C ATOM 191 1HG1 ILE A 10 16.826 -34.468 25.672 1.00 -1.96 H ATOM 192 2HG1 ILE A 10 16.080 -35.723 26.651 1.00 -1.96 H ATOM 193 CG2 ILE A 10 19.052 -34.005 27.148 1.00 -1.96 C ATOM 194 1HG2 ILE A 10 18.664 -33.166 27.725 1.00 -1.96 H ATOM 195 2HG2 ILE A 10 19.178 -33.696 26.108 1.00 -1.96 H ATOM 196 3HG2 ILE A 10 20.031 -34.257 27.558 1.00 -1.96 H ATOM 197 CD1 ILE A 10 15.947 -33.768 27.502 1.00 -1.96 C ATOM 198 1HD1 ILE A 10 14.933 -33.670 27.120 1.00 -1.96 H ATOM 199 2HD1 ILE A 10 16.446 -32.802 27.416 1.00 -1.96 H ATOM 200 3HD1 ILE A 10 15.900 -34.059 28.551 1.00 -1.96 H ATOM 201 N ARG A 11 20.212 -37.477 28.065 1.00-15.67 N ATOM 202 H ARG A 11 19.384 -37.749 28.589 1.00-15.67 H ATOM 203 CA ARG A 11 21.542 -37.866 28.552 1.00-15.67 C ATOM 204 HA ARG A 11 22.175 -36.980 28.590 1.00-15.67 H ATOM 205 C ARG A 11 22.231 -38.849 27.614 1.00-15.67 C ATOM 206 O ARG A 11 23.447 -38.819 27.489 1.00-15.67 O ATOM 207 CB ARG A 11 21.461 -38.470 29.956 1.00-15.67 C ATOM 208 1HB ARG A 11 20.727 -39.275 29.952 1.00-15.67 H ATOM 209 2HB ARG A 11 22.434 -38.894 30.204 1.00-15.67 H ATOM 210 CG ARG A 11 21.097 -37.460 31.033 1.00-15.67 C ATOM 211 1HG ARG A 11 21.865 -36.687 31.070 1.00-15.67 H ATOM 212 2HG ARG A 11 20.143 -36.996 30.796 1.00-15.67 H ATOM 213 CD ARG A 11 20.998 -38.132 32.392 1.00-15.67 C ATOM 214 1HD ARG A 11 20.248 -38.923 32.341 1.00-15.67 H ATOM 215 2HD ARG A 11 21.965 -38.575 32.636 1.00-15.67 H ATOM 216 NE ARG A 11 20.623 -37.171 33.442 1.00-15.67 N ATOM 217 HE ARG A 11 20.465 -36.223 33.140 1.00-15.67 H ATOM 218 CZ ARG A 11 20.487 -37.432 34.736 1.00-15.67 C ATOM 219 NH1 ARG A 11 20.159 -36.460 35.542 1.00-15.67 N ATOM 220 1HH1 ARG A 11 20.018 -35.530 35.187 1.00-15.67 H ATOM 221 2HH1 ARG A 11 20.049 -36.637 36.526 1.00-15.67 H ATOM 222 NH2 ARG A 11 20.672 -38.618 35.259 1.00-15.67 N ATOM 223 1HH2 ARG A 11 20.936 -39.387 34.667 1.00-15.67 H ATOM 224 2HH2 ARG A 11 20.563 -38.761 36.249 1.00-15.67 H ATOM 225 N THR A 12 21.467 -39.670 26.914 1.00 -3.60 N ATOM 226 H THR A 12 20.469 -39.680 27.084 1.00 -3.60 H ATOM 227 CA THR A 12 22.023 -40.575 25.908 1.00 -3.60 C ATOM 228 HA THR A 12 22.834 -41.143 26.363 1.00 -3.60 H ATOM 229 C THR A 12 22.595 -39.778 24.732 1.00 -3.60 C ATOM 230 O THR A 12 23.678 -40.086 24.244 1.00 -3.60 O ATOM 231 CB THR A 12 20.949 -41.571 25.408 1.00 -3.60 C ATOM 232 HB THR A 12 20.177 -41.032 24.862 1.00 -3.60 H ATOM 233 OG1 THR A 12 20.358 -42.232 26.531 1.00 -3.60 O ATOM 234 HG1 THR A 12 19.974 -41.574 27.125 1.00 -3.60 H ATOM 235 CG2 THR A 12 21.527 -42.654 24.518 1.00 -3.60 C ATOM 236 1HG2 THR A 12 20.739 -43.360 24.260 1.00 -3.60 H ATOM 237 2HG2 THR A 12 22.319 -43.184 25.047 1.00 -3.60 H ATOM 238 3HG2 THR A 12 21.926 -42.217 23.603 1.00 -3.60 H ATOM 239 N VAL A 13 21.928 -38.709 24.314 1.00 -8.20 N ATOM 240 H VAL A 13 21.022 -38.490 24.721 1.00 -8.20 H ATOM 241 CA VAL A 13 22.462 -37.834 23.263 1.00 -8.20 C ATOM 242 HA VAL A 13 22.739 -38.449 22.407 1.00 -8.20 H ATOM 243 C VAL A 13 23.729 -37.141 23.769 1.00 -8.20 C ATOM 244 O VAL A 13 24.723 -37.056 23.047 1.00 -8.20 O ATOM 245 CB VAL A 13 21.402 -36.785 22.792 1.00 -8.20 C ATOM 246 HB VAL A 13 21.060 -36.219 23.656 1.00 -8.20 H ATOM 247 CG1 VAL A 13 21.980 -35.794 21.764 1.00 -8.20 C ATOM 248 1HG1 VAL A 13 21.206 -35.095 21.452 1.00 -8.20 H ATOM 249 2HG1 VAL A 13 22.357 -36.331 20.893 1.00 -8.20 H ATOM 250 3HG1 VAL A 13 22.794 -35.224 22.213 1.00 -8.20 H ATOM 251 CG2 VAL A 13 20.190 -37.490 22.155 1.00 -8.20 C ATOM 252 1HG2 VAL A 13 19.442 -36.753 21.868 1.00 -8.20 H ATOM 253 2HG2 VAL A 13 19.734 -38.178 22.861 1.00 -8.20 H ATOM 254 3HG2 VAL A 13 20.501 -38.052 21.272 1.00 -8.20 H ATOM 255 N VAL A 14 23.752 -36.697 25.018 1.00 -0.91 N ATOM 256 H VAL A 14 22.915 -36.761 25.593 1.00 -0.91 H ATOM 257 CA VAL A 14 24.973 -36.101 25.571 1.00 -0.91 C ATOM 258 HA VAL A 14 25.279 -35.289 24.916 1.00 -0.91 H ATOM 259 C VAL A 14 26.096 -37.138 25.567 1.00 -0.91 C ATOM 260 O VAL A 14 27.205 -36.832 25.130 1.00 -0.91 O ATOM 261 CB VAL A 14 24.756 -35.520 27.003 1.00 -0.91 C ATOM 262 HB VAL A 14 24.371 -36.309 27.646 1.00 -0.91 H ATOM 263 CG1 VAL A 14 26.069 -34.994 27.615 1.00 -0.91 C ATOM 264 1HG1 VAL A 14 25.871 -34.561 28.596 1.00 -0.91 H ATOM 265 2HG1 VAL A 14 26.510 -34.231 26.972 1.00 -0.91 H ATOM 266 3HG1 VAL A 14 26.779 -35.811 27.743 1.00 -0.91 H ATOM 267 CG2 VAL A 14 23.736 -34.371 26.969 1.00 -0.91 C ATOM 268 1HG2 VAL A 14 23.561 -34.004 27.980 1.00 -0.91 H ATOM 269 2HG2 VAL A 14 22.788 -34.712 26.560 1.00 -0.91 H ATOM 270 3HG2 VAL A 14 24.109 -33.551 26.353 1.00 -0.91 H ATOM 271 N ALA A 15 25.825 -38.366 25.983 1.00 7.78 N ATOM 272 H ALA A 15 24.896 -38.589 26.330 1.00 7.78 H ATOM 273 CA ALA A 15 26.848 -39.405 25.987 1.00 7.78 C ATOM 274 HA ALA A 15 27.678 -39.051 26.583 1.00 7.78 H ATOM 275 C ALA A 15 27.368 -39.690 24.573 1.00 7.78 C ATOM 276 O ALA A 15 28.568 -39.656 24.315 1.00 7.78 O ATOM 277 CB ALA A 15 26.298 -40.679 26.642 1.00 7.78 C ATOM 278 1HB ALA A 15 25.976 -40.460 27.661 1.00 7.78 H ATOM 279 2HB ALA A 15 27.080 -41.439 26.673 1.00 7.78 H ATOM 280 3HB ALA A 15 25.449 -41.062 26.074 1.00 7.78 H ATOM 281 N GLY A 16 26.449 -39.942 23.656 1.00 16.69 N ATOM 282 H GLY A 16 25.463 -39.917 23.914 1.00 16.69 H ATOM 283 CA GLY A 16 26.808 -40.324 22.302 1.00 16.69 C ATOM 284 1HA GLY A 16 27.471 -41.188 22.349 1.00 16.69 H ATOM 285 2HA GLY A 16 25.895 -40.615 21.784 1.00 16.69 H ATOM 286 C GLY A 16 27.488 -39.251 21.480 1.00 16.69 C ATOM 287 O GLY A 16 28.340 -39.569 20.647 1.00 16.69 O ATOM 288 N TYR A 17 27.114 -37.994 21.678 1.00 18.18 N ATOM 289 H TYR A 17 26.416 -37.784 22.389 1.00 18.18 H ATOM 290 CA TYR A 17 27.591 -36.905 20.824 1.00 18.18 C ATOM 291 HA TYR A 17 28.151 -37.337 20.005 1.00 18.18 H ATOM 292 C TYR A 17 28.522 -35.884 21.470 1.00 18.18 C ATOM 293 O TYR A 17 29.116 -35.092 20.751 1.00 18.18 O ATOM 294 CB TYR A 17 26.399 -36.179 20.194 1.00 18.18 C ATOM 295 1HB TYR A 17 25.751 -35.798 20.983 1.00 18.18 H ATOM 296 2HB TYR A 17 26.769 -35.331 19.619 1.00 18.18 H ATOM 297 CG TYR A 17 25.593 -37.061 19.260 1.00 18.18 C ATOM 298 CD1 TYR A 17 24.553 -37.883 19.745 1.00 18.18 C ATOM 299 HD1 TYR A 17 24.318 -37.885 20.798 1.00 18.18 H ATOM 300 CD2 TYR A 17 25.875 -37.086 17.878 1.00 18.18 C ATOM 301 HD2 TYR A 17 26.658 -36.454 17.482 1.00 18.18 H ATOM 302 CE1 TYR A 17 23.816 -38.721 18.872 1.00 18.18 C ATOM 303 HE1 TYR A 17 23.028 -39.352 19.255 1.00 18.18 H ATOM 304 CE2 TYR A 17 25.133 -37.923 16.997 1.00 18.18 C ATOM 305 HE2 TYR A 17 25.348 -37.926 15.939 1.00 18.18 H ATOM 306 CZ TYR A 17 24.111 -38.731 17.508 1.00 18.18 C ATOM 307 OH TYR A 17 23.379 -39.539 16.677 1.00 18.18 O ATOM 308 HH TYR A 17 23.657 -39.492 15.761 1.00 18.18 H ATOM 309 N ASN A 18 28.672 -35.888 22.788 1.00 23.90 N ATOM 310 H ASN A 18 28.159 -36.555 23.355 1.00 23.90 H ATOM 311 CA ASN A 18 29.529 -34.898 23.457 1.00 23.90 C ATOM 312 HA ASN A 18 30.113 -34.357 22.711 1.00 23.90 H ATOM 313 C ASN A 18 30.514 -35.478 24.464 1.00 23.90 C ATOM 314 O ASN A 18 31.683 -35.113 24.465 1.00 23.90 O ATOM 315 CB ASN A 18 28.658 -33.873 24.192 1.00 23.90 C ATOM 316 1HB ASN A 18 27.996 -34.388 24.882 1.00 23.90 H ATOM 317 2HB ASN A 18 29.307 -33.208 24.762 1.00 23.90 H ATOM 318 CG ASN A 18 27.836 -33.032 23.254 1.00 23.90 C ATOM 319 OD1 ASN A 18 28.332 -32.114 22.635 1.00 23.90 O ATOM 320 ND2 ASN A 18 26.567 -33.329 23.151 1.00 23.90 N ATOM 321 1HD2 ASN A 18 26.000 -32.761 22.545 1.00 23.90 H ATOM 322 2HD2 ASN A 18 26.186 -34.108 23.654 1.00 23.90 H ATOM 323 N LEU A 19 30.036 -36.367 25.323 1.00 12.01 N ATOM 324 H LEU A 19 29.073 -36.677 25.231 1.00 12.01 H ATOM 325 CA LEU A 19 30.797 -36.862 26.476 1.00 12.01 C ATOM 326 HA LEU A 19 31.098 -36.009 27.078 1.00 12.01 H ATOM 327 C LEU A 19 32.057 -37.645 26.135 1.00 12.01 C ATOM 328 O LEU A 19 32.959 -37.752 26.950 1.00 12.01 O ATOM 329 CB LEU A 19 29.874 -37.747 27.313 1.00 12.01 C ATOM 330 1HB LEU A 19 28.919 -37.228 27.391 1.00 12.01 H ATOM 331 2HB LEU A 19 29.712 -38.659 26.742 1.00 12.01 H ATOM 332 CG LEU A 19 30.271 -38.170 28.736 1.00 12.01 C ATOM 333 HG LEU A 19 31.185 -38.757 28.690 1.00 12.01 H ATOM 334 CD1 LEU A 19 30.506 -36.972 29.654 1.00 12.01 C ATOM 335 1HD1 LEU A 19 30.732 -37.321 30.662 1.00 12.01 H ATOM 336 2HD1 LEU A 19 29.628 -36.328 29.678 1.00 12.01 H ATOM 337 3HD1 LEU A 19 31.366 -36.406 29.294 1.00 12.01 H ATOM 338 CD2 LEU A 19 29.163 -39.047 29.320 1.00 12.01 C ATOM 339 1HD2 LEU A 19 29.458 -39.392 30.311 1.00 12.01 H ATOM 340 2HD2 LEU A 19 29.013 -39.920 28.684 1.00 12.01 H ATOM 341 3HD2 LEU A 19 28.231 -38.487 29.396 1.00 12.01 H ATOM 342 N TYR A 20 32.095 -38.177 24.923 1.00 -5.99 N ATOM 343 H TYR A 20 31.290 -38.090 24.330 1.00 -5.99 H ATOM 344 CA TYR A 20 33.257 -38.907 24.421 1.00 -5.99 C ATOM 345 HA TYR A 20 34.071 -38.825 25.144 1.00 -5.99 H ATOM 346 C TYR A 20 33.728 -38.301 23.100 1.00 -5.99 C ATOM 347 O TYR A 20 34.192 -39.009 22.202 1.00 -5.99 O ATOM 348 CB TYR A 20 32.885 -40.384 24.256 1.00 -5.99 C ATOM 349 1HB TYR A 20 32.182 -40.476 23.428 1.00 -5.99 H ATOM 350 2HB TYR A 20 33.783 -40.953 24.018 1.00 -5.99 H ATOM 351 CG TYR A 20 32.239 -40.967 25.498 1.00 -5.99 C ATOM 352 CD1 TYR A 20 30.924 -41.476 25.454 1.00 -5.99 C ATOM 353 HD1 TYR A 20 30.381 -41.479 24.520 1.00 -5.99 H ATOM 354 CD2 TYR A 20 32.922 -40.980 26.733 1.00 -5.99 C ATOM 355 HD2 TYR A 20 33.928 -40.584 26.794 1.00 -5.99 H ATOM 356 CE1 TYR A 20 30.297 -41.976 26.626 1.00 -5.99 C ATOM 357 HE1 TYR A 20 29.292 -42.363 26.584 1.00 -5.99 H ATOM 358 CE2 TYR A 20 32.295 -41.472 27.907 1.00 -5.99 C ATOM 359 HE2 TYR A 20 32.826 -41.457 28.846 1.00 -5.99 H ATOM 360 CZ TYR A 20 30.989 -41.962 27.839 1.00 -5.99 C ATOM 361 OH TYR A 20 30.372 -42.427 28.973 1.00 -5.99 O ATOM 362 HH TYR A 20 30.936 -42.358 29.746 1.00 -5.99 H ATOM 363 N ARG A 21 33.488 -37.004 22.935 1.00-11.14 N ATOM 364 H ARG A 21 33.114 -36.491 23.726 1.00-11.14 H ATOM 365 CA ARG A 21 33.820 -36.287 21.689 1.00-11.14 C ATOM 366 HA ARG A 21 34.570 -36.870 21.152 1.00-11.14 H ATOM 367 C ARG A 21 34.406 -34.893 21.877 1.00-11.14 C ATOM 368 O ARG A 21 35.211 -34.452 21.064 1.00-11.14 O ATOM 369 CB ARG A 21 32.599 -36.121 20.777 1.00-11.14 C ATOM 370 1HB ARG A 21 31.872 -35.475 21.267 1.00-11.14 H ATOM 371 2HB ARG A 21 32.938 -35.617 19.872 1.00-11.14 H ATOM 372 CG ARG A 21 31.901 -37.405 20.362 1.00-11.14 C ATOM 373 1HG ARG A 21 32.639 -38.193 20.210 1.00-11.14 H ATOM 374 2HG ARG A 21 31.208 -37.705 21.148 1.00-11.14 H ATOM 375 CD ARG A 21 31.150 -37.191 19.060 1.00-11.14 C ATOM 376 1HD ARG A 21 30.604 -36.249 19.118 1.00-11.14 H ATOM 377 2HD ARG A 21 31.872 -37.130 18.245 1.00-11.14 H ATOM 378 NE ARG A 21 30.196 -38.277 18.802 1.00-11.14 N ATOM 379 HE ARG A 21 30.038 -38.931 19.562 1.00-11.14 H ATOM 380 CZ ARG A 21 29.471 -38.452 17.708 1.00-11.14 C ATOM 381 NH1 ARG A 21 28.581 -39.402 17.708 1.00-11.14 N ATOM 382 1HH1 ARG A 21 28.420 -39.919 18.567 1.00-11.14 H ATOM 383 2HH1 ARG A 21 28.040 -39.603 16.889 1.00-11.14 H ATOM 384 NH2 ARG A 21 29.591 -37.717 16.632 1.00-11.14 N ATOM 385 1HH2 ARG A 21 30.257 -36.963 16.627 1.00-11.14 H ATOM 386 2HH2 ARG A 21 29.022 -37.899 15.827 1.00-11.14 H ATOM 387 N ALA A 22 33.961 -34.192 22.908 1.00 18.19 N ATOM 388 H ALA A 22 33.278 -34.603 23.535 1.00 18.19 H ATOM 389 CA ALA A 22 34.403 -32.829 23.204 1.00 18.19 C ATOM 390 HA ALA A 22 35.301 -32.594 22.630 1.00 18.19 H ATOM 391 C ALA A 22 34.754 -32.758 24.692 1.00 18.19 C ATOM 392 O ALA A 22 34.979 -31.687 25.257 1.00 18.19 O ATOM 393 CB ALA A 22 33.287 -31.835 22.843 1.00 18.19 C ATOM 394 1HB ALA A 22 33.056 -31.912 21.781 1.00 18.19 H ATOM 395 2HB ALA A 22 33.622 -30.821 23.067 1.00 18.19 H ATOM 396 3HB ALA A 22 32.394 -32.054 23.430 1.00 18.19 H ATOM 397 N ILE A 23 34.764 -33.940 25.287 1.00-20.12 N ATOM 398 H ILE A 23 34.636 -34.777 24.732 1.00-20.12 H ATOM 399 CA ILE A 23 35.051 -34.226 26.686 1.00-20.12 C ATOM 400 HA ILE A 23 35.755 -33.514 27.111 1.00-20.12 H ATOM 401 C ILE A 23 35.718 -35.576 26.424 1.00-20.12 C ATOM 402 O ILE A 23 36.673 -35.977 27.115 1.00-20.12 O ATOM 403 OXT ILE A 23 35.272 -36.173 25.405 1.00-20.12 O ATOM 404 CB ILE A 23 33.768 -34.378 27.564 1.00-20.12 C ATOM 405 HB ILE A 23 33.154 -35.153 27.113 1.00-20.12 H ATOM 406 CG1 ILE A 23 32.952 -33.069 27.584 1.00-20.12 C ATOM 407 1HG1 ILE A 23 33.532 -32.309 28.108 1.00-20.12 H ATOM 408 2HG1 ILE A 23 32.807 -32.732 26.560 1.00-20.12 H ATOM 409 CG2 ILE A 23 34.154 -34.820 28.996 1.00-20.12 C ATOM 410 1HG2 ILE A 23 33.268 -34.984 29.602 1.00-20.12 H ATOM 411 2HG2 ILE A 23 34.790 -34.067 29.461 1.00-20.12 H ATOM 412 3HG2 ILE A 23 34.709 -35.761 28.941 1.00-20.12 H ATOM 413 CD1 ILE A 23 31.559 -33.156 28.230 1.00-20.12 C ATOM 414 1HD1 ILE A 23 31.061 -32.192 28.131 1.00-20.12 H ATOM 415 2HD1 ILE A 23 31.648 -33.400 29.288 1.00-20.12 H ATOM 416 3HD1 ILE A 23 30.966 -33.916 27.725 1.00-20.12 H TER 417 ILE A 23 END
SEQUENCE	RIKRFWPVVIRTVVAGYNLYRAI
HELICITY	56.50	INSTAB. INDEX	17.38	FLEXIBILITY	8.19
a HYD. MOM.	64.44	b HYD. MOM.	24.80	c HYD. MOM	6.95
a MEAN HYD. MOM.	2.80	b MEAN HYD. MOM.	1.08	c MEAN HYD. MOM.	0.30
CHARGE pH5	5.00	CHARGE pH7	5.00	CHARGE pH9	4.62
Δ CHARGE pH5-pH9	0.39	ISOELECTRIC POINT	11.57	BOMAN INDEX	1.26
ΔG	2	CPP	-0,23	MLP	-1,88
MOLECULAR VOLUME		POLARITY
MIC E. coli	3	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	11	MIC M. luteus		MIC B. subtilis	11
MIC C. albicans	0,68	OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	2012
TITLE PAPER	Structure-function relationship of antimicrobial peptide cathelicidin Pc-CATH1