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ID	1420	NAME	LR3   Blast NCBI-PROT
LENGTH	24	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\RIKRFWPVVIRTVVAGYNLYRAIK.pdb REMARK YASARA Written on: Wed May 14 13:13:06 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 438 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 24 ARG ILE LYS ARG PHE TRP PRO VAL VAL ILE ARG THR VAL SEQRES 2 A 24 VAL ALA GLY TYR ASN LEU TYR ARG ALA ILE LYS 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 8.182 -28.321 21.942 1.00-26.82 N ATOM 2 1H ARG A 1 7.342 -28.863 22.088 1.00-26.82 H ATOM 3 2H ARG A 1 8.417 -28.321 20.959 1.00-26.82 H ATOM 4 3H ARG A 1 8.024 -27.368 22.240 1.00-26.82 H ATOM 5 CA ARG A 1 9.311 -28.912 22.720 1.00-26.82 C ATOM 6 HA ARG A 1 9.074 -28.867 23.782 1.00-26.82 H ATOM 7 C ARG A 1 10.561 -28.097 22.455 1.00-26.82 C ATOM 8 O ARG A 1 10.714 -27.622 21.339 1.00-26.82 O ATOM 9 CB ARG A 1 9.495 -30.382 22.301 1.00-26.82 C ATOM 10 1HB ARG A 1 8.515 -30.857 22.338 1.00-26.82 H ATOM 11 2HB ARG A 1 9.841 -30.407 21.267 1.00-26.82 H ATOM 12 CG ARG A 1 10.452 -31.232 23.153 1.00-26.82 C ATOM 13 1HG ARG A 1 11.470 -30.860 23.041 1.00-26.82 H ATOM 14 2HG ARG A 1 10.159 -31.172 24.201 1.00-26.82 H ATOM 15 CD ARG A 1 10.382 -32.695 22.696 1.00-26.82 C ATOM 16 1HD ARG A 1 9.361 -33.051 22.838 1.00-26.82 H ATOM 17 2HD ARG A 1 10.618 -32.744 21.632 1.00-26.82 H ATOM 18 NE ARG A 1 11.300 -33.588 23.419 1.00-26.82 N ATOM 19 HE ARG A 1 11.972 -33.164 24.044 1.00-26.82 H ATOM 20 CZ ARG A 1 11.345 -34.911 23.322 1.00-26.82 C ATOM 21 NH1 ARG A 1 12.235 -35.548 24.014 1.00-26.82 N ATOM 22 1HH1 ARG A 1 12.930 -35.023 24.538 1.00-26.82 H ATOM 23 2HH1 ARG A 1 12.278 -36.556 23.998 1.00-26.82 H ATOM 24 NH2 ARG A 1 10.542 -35.624 22.574 1.00-26.82 N ATOM 25 1HH2 ARG A 1 9.830 -35.173 22.030 1.00-26.82 H ATOM 26 2HH2 ARG A 1 10.647 -36.624 22.543 1.00-26.82 H ATOM 27 N ILE A 2 11.399 -27.867 23.457 1.00-21.10 N ATOM 28 H ILE A 2 11.236 -28.266 24.368 1.00-21.10 H ATOM 29 CA ILE A 2 12.614 -27.069 23.283 1.00-21.10 C ATOM 30 HA ILE A 2 12.367 -26.115 22.816 1.00-21.10 H ATOM 31 C ILE A 2 13.499 -27.897 22.351 1.00-21.10 C ATOM 32 O ILE A 2 13.536 -29.114 22.497 1.00-21.10 O ATOM 33 CB ILE A 2 13.318 -26.812 24.659 1.00-21.10 C ATOM 34 HB ILE A 2 13.611 -27.774 25.081 1.00-21.10 H ATOM 35 CG1 ILE A 2 12.336 -26.130 25.639 1.00-21.10 C ATOM 36 1HG1 ILE A 2 12.111 -25.130 25.266 1.00-21.10 H ATOM 37 2HG1 ILE A 2 11.404 -26.691 25.667 1.00-21.10 H ATOM 38 CG2 ILE A 2 14.587 -25.925 24.495 1.00-21.10 C ATOM 39 1HG2 ILE A 2 15.096 -25.823 25.454 1.00-21.10 H ATOM 40 2HG2 ILE A 2 14.311 -24.930 24.139 1.00-21.10 H ATOM 41 3HG2 ILE A 2 15.286 -26.374 23.800 1.00-21.10 H ATOM 42 CD1 ILE A 2 12.821 -26.006 27.093 1.00-21.10 C ATOM 43 1HD1 ILE A 2 12.009 -25.621 27.712 1.00-21.10 H ATOM 44 2HD1 ILE A 2 13.661 -25.315 27.158 1.00-21.10 H ATOM 45 3HD1 ILE A 2 13.122 -26.984 27.473 1.00-21.10 H ATOM 46 N LYS A 3 14.207 -27.263 21.419 1.00 -6.86 N ATOM 47 H LYS A 3 14.136 -26.259 21.349 1.00 -6.86 H ATOM 48 CA LYS A 3 15.071 -27.977 20.462 1.00 -6.86 C ATOM 49 HA LYS A 3 14.480 -28.769 20.008 1.00 -6.86 H ATOM 50 C LYS A 3 16.281 -28.672 21.079 1.00 -6.86 C ATOM 51 O LYS A 3 16.939 -29.488 20.446 1.00 -6.86 O ATOM 52 CB LYS A 3 15.535 -27.045 19.340 1.00 -6.86 C ATOM 53 1HB LYS A 3 16.061 -26.192 19.771 1.00 -6.86 H ATOM 54 2HB LYS A 3 16.233 -27.597 18.710 1.00 -6.86 H ATOM 55 CG LYS A 3 14.396 -26.545 18.458 1.00 -6.86 C ATOM 56 1HG LYS A 3 13.777 -27.394 18.168 1.00 -6.86 H ATOM 57 2HG LYS A 3 13.785 -25.834 19.015 1.00 -6.86 H ATOM 58 CD LYS A 3 14.930 -25.878 17.196 1.00 -6.86 C ATOM 59 1HD LYS A 3 15.565 -25.036 17.475 1.00 -6.86 H ATOM 60 2HD LYS A 3 15.526 -26.604 16.639 1.00 -6.86 H ATOM 61 CE LYS A 3 13.787 -25.388 16.310 1.00 -6.86 C ATOM 62 1HE LYS A 3 13.133 -26.232 16.079 1.00 -6.86 H ATOM 63 2HE LYS A 3 13.207 -24.641 16.859 1.00 -6.86 H ATOM 64 NZ LYS A 3 14.289 -24.786 15.025 1.00 -6.86 N ATOM 65 1HZ LYS A 3 13.507 -24.475 14.462 1.00 -6.86 H ATOM 66 2HZ LYS A 3 14.814 -25.476 14.505 1.00 -6.86 H ATOM 67 3HZ LYS A 3 14.886 -23.995 15.225 1.00 -6.86 H ATOM 68 N ARG A 4 16.518 -28.422 22.357 1.00 16.66 N ATOM 69 H ARG A 4 15.985 -27.701 22.806 1.00 16.66 H ATOM 70 CA ARG A 4 17.381 -29.262 23.190 1.00 16.66 C ATOM 71 HA ARG A 4 18.243 -29.594 22.608 1.00 16.66 H ATOM 72 C ARG A 4 16.513 -30.472 23.567 1.00 16.66 C ATOM 73 O ARG A 4 16.097 -30.614 24.710 1.00 16.66 O ATOM 74 CB ARG A 4 17.834 -28.448 24.412 1.00 16.66 C ATOM 75 1HB ARG A 4 18.233 -27.503 24.046 1.00 16.66 H ATOM 76 2HB ARG A 4 16.961 -28.225 25.025 1.00 16.66 H ATOM 77 CG ARG A 4 18.896 -29.101 25.298 1.00 16.66 C ATOM 78 1HG ARG A 4 18.530 -30.069 25.640 1.00 16.66 H ATOM 79 2HG ARG A 4 19.810 -29.250 24.723 1.00 16.66 H ATOM 80 CD ARG A 4 19.201 -28.234 26.519 1.00 16.66 C ATOM 81 1HD ARG A 4 18.267 -28.039 27.050 1.00 16.66 H ATOM 82 2HD ARG A 4 19.870 -28.787 27.180 1.00 16.66 H ATOM 83 NE ARG A 4 19.837 -26.954 26.160 1.00 16.66 N ATOM 84 HE ARG A 4 20.114 -26.848 25.198 1.00 16.66 H ATOM 85 CZ ARG A 4 20.087 -25.939 26.979 1.00 16.66 C ATOM 86 NH1 ARG A 4 20.709 -24.892 26.511 1.00 16.66 N ATOM 87 1HH1 ARG A 4 21.012 -24.865 25.552 1.00 16.66 H ATOM 88 2HH1 ARG A 4 20.899 -24.107 27.112 1.00 16.66 H ATOM 89 NH2 ARG A 4 19.733 -25.920 28.240 1.00 16.66 N ATOM 90 1HH2 ARG A 4 19.233 -26.701 28.628 1.00 16.66 H ATOM 91 2HH2 ARG A 4 19.951 -25.126 28.817 1.00 16.66 H ATOM 92 N PHE A 5 16.126 -31.259 22.572 1.00 9.10 N ATOM 93 H PHE A 5 16.537 -31.128 21.653 1.00 9.10 H ATOM 94 CA PHE A 5 15.005 -32.190 22.713 1.00 9.10 C ATOM 95 HA PHE A 5 14.132 -31.622 23.032 1.00 9.10 H ATOM 96 C PHE A 5 15.236 -33.290 23.739 1.00 9.10 C ATOM 97 O PHE A 5 14.312 -33.680 24.453 1.00 9.10 O ATOM 98 CB PHE A 5 14.696 -32.879 21.377 1.00 9.10 C ATOM 99 1HB PHE A 5 15.571 -33.445 21.062 1.00 9.10 H ATOM 100 2HB PHE A 5 13.878 -33.581 21.536 1.00 9.10 H ATOM 101 CG PHE A 5 14.305 -31.944 20.261 1.00 9.10 C ATOM 102 CD1 PHE A 5 15.163 -31.743 19.165 1.00 9.10 C ATOM 103 HD1 PHE A 5 16.135 -32.215 19.145 1.00 9.10 H ATOM 104 CD2 PHE A 5 13.052 -31.309 20.266 1.00 9.10 C ATOM 105 HD2 PHE A 5 12.396 -31.441 21.104 1.00 9.10 H ATOM 106 CE1 PHE A 5 14.765 -30.938 18.067 1.00 9.10 C ATOM 107 HE1 PHE A 5 15.433 -30.801 17.228 1.00 9.10 H ATOM 108 CE2 PHE A 5 12.634 -30.502 19.177 1.00 9.10 C ATOM 109 HE2 PHE A 5 11.664 -30.029 19.192 1.00 9.10 H ATOM 110 CZ PHE A 5 13.491 -30.328 18.068 1.00 9.10 C ATOM 111 HZ PHE A 5 13.176 -29.728 17.226 1.00 9.10 H ATOM 112 N TRP A 6 16.457 -33.802 23.789 1.00 16.45 N ATOM 113 H TRP A 6 17.175 -33.417 23.197 1.00 16.45 H ATOM 114 CA TRP A 6 16.798 -34.943 24.638 1.00 16.45 C ATOM 115 HA TRP A 6 15.938 -35.215 25.249 1.00 16.45 H ATOM 116 C TRP A 6 17.968 -34.607 25.559 1.00 16.45 C ATOM 117 O TRP A 6 19.094 -35.038 25.314 1.00 16.45 O ATOM 118 CB TRP A 6 17.157 -36.143 23.756 1.00 16.45 C ATOM 119 1HB TRP A 6 18.017 -35.887 23.136 1.00 16.45 H ATOM 120 2HB TRP A 6 17.428 -36.977 24.399 1.00 16.45 H ATOM 121 CG TRP A 6 16.043 -36.579 22.851 1.00 16.45 C ATOM 122 CD1 TRP A 6 15.914 -36.314 21.523 1.00 16.45 C ATOM 123 HD1 TRP A 6 16.625 -35.735 20.947 1.00 16.45 H ATOM 124 CD2 TRP A 6 14.904 -37.390 23.192 1.00 16.45 C ATOM 125 NE1 TRP A 6 14.780 -36.878 21.007 1.00 16.45 N ATOM 126 HE1 TRP A 6 14.501 -36.812 20.037 1.00 16.45 H ATOM 127 CE2 TRP A 6 14.129 -37.548 22.005 1.00 16.45 C ATOM 128 CE3 TRP A 6 14.454 -38.002 24.381 1.00 16.45 C ATOM 129 HE3 TRP A 6 15.024 -37.908 25.294 1.00 16.45 H ATOM 130 CZ2 TRP A 6 12.930 -38.292 21.979 1.00 16.45 C ATOM 131 HZ2 TRP A 6 12.372 -38.409 21.062 1.00 16.45 H ATOM 132 CZ3 TRP A 6 13.247 -38.752 24.360 1.00 16.45 C ATOM 133 HZ3 TRP A 6 12.898 -39.234 25.264 1.00 16.45 H ATOM 134 CH2 TRP A 6 12.501 -38.890 23.152 1.00 16.45 C ATOM 135 HH2 TRP A 6 11.595 -39.482 23.151 1.00 16.45 H ATOM 136 N PRO A 7 17.742 -33.815 26.622 1.00 29.79 N ATOM 137 CA PRO A 7 18.943 -33.341 27.324 1.00 29.79 C ATOM 138 HA PRO A 7 19.614 -32.862 26.614 1.00 29.79 H ATOM 139 C PRO A 7 19.743 -34.407 28.072 1.00 29.79 C ATOM 140 O PRO A 7 20.931 -34.223 28.304 1.00 29.79 O ATOM 141 CB PRO A 7 18.380 -32.280 28.274 1.00 29.79 C ATOM 142 1HB PRO A 7 18.974 -32.213 29.185 1.00 29.79 H ATOM 143 2HB PRO A 7 18.338 -31.314 27.773 1.00 29.79 H ATOM 144 CG PRO A 7 16.997 -32.751 28.559 1.00 29.79 C ATOM 145 1HG PRO A 7 17.019 -33.566 29.283 1.00 29.79 H ATOM 146 2HG PRO A 7 16.373 -31.933 28.919 1.00 29.79 H ATOM 147 CD PRO A 7 16.518 -33.245 27.216 1.00 29.79 C ATOM 148 1HD PRO A 7 15.745 -34.004 27.339 1.00 29.79 H ATOM 149 2HD PRO A 7 16.153 -32.414 26.609 1.00 29.79 H ATOM 150 N VAL A 8 19.138 -35.540 28.402 1.00-18.92 N ATOM 151 H VAL A 8 18.151 -35.651 28.236 1.00-18.92 H ATOM 152 CA VAL A 8 19.877 -36.648 29.013 1.00-18.92 C ATOM 153 HA VAL A 8 20.452 -36.269 29.858 1.00-18.92 H ATOM 154 C VAL A 8 20.851 -37.246 27.995 1.00-18.92 C ATOM 155 O VAL A 8 22.008 -37.524 28.302 1.00-18.92 O ATOM 156 CB VAL A 8 18.897 -37.747 29.520 1.00-18.92 C ATOM 157 HB VAL A 8 18.339 -38.132 28.668 1.00-18.92 H ATOM 158 CG1 VAL A 8 19.643 -38.912 30.185 1.00-18.92 C ATOM 159 1HG1 VAL A 8 18.927 -39.650 30.553 1.00-18.92 H ATOM 160 2HG1 VAL A 8 20.246 -38.554 31.021 1.00-18.92 H ATOM 161 3HG1 VAL A 8 20.296 -39.406 29.463 1.00-18.92 H ATOM 162 CG2 VAL A 8 17.891 -37.146 30.519 1.00-18.92 C ATOM 163 1HG2 VAL A 8 17.245 -37.937 30.907 1.00-18.92 H ATOM 164 2HG2 VAL A 8 17.257 -36.406 30.034 1.00-18.92 H ATOM 165 3HG2 VAL A 8 18.417 -36.683 31.355 1.00-18.92 H ATOM 166 N VAL A 9 20.404 -37.391 26.757 1.00 -8.10 N ATOM 167 H VAL A 9 19.469 -37.103 26.522 1.00 -8.10 H ATOM 168 CA VAL A 9 21.240 -37.958 25.699 1.00 -8.10 C ATOM 169 HA VAL A 9 21.709 -38.872 26.065 1.00 -8.10 H ATOM 170 C VAL A 9 22.335 -36.954 25.363 1.00 -8.10 C ATOM 171 O VAL A 9 23.487 -37.320 25.188 1.00 -8.10 O ATOM 172 CB VAL A 9 20.396 -38.300 24.437 1.00 -8.10 C ATOM 173 HB VAL A 9 19.939 -37.385 24.067 1.00 -8.10 H ATOM 174 CG1 VAL A 9 21.260 -38.898 23.320 1.00 -8.10 C ATOM 175 1HG1 VAL A 9 20.634 -39.155 22.464 1.00 -8.10 H ATOM 176 2HG1 VAL A 9 21.767 -39.798 23.674 1.00 -8.10 H ATOM 177 3HG1 VAL A 9 22.008 -38.175 22.992 1.00 -8.10 H ATOM 178 CG2 VAL A 9 19.273 -39.292 24.800 1.00 -8.10 C ATOM 179 1HG2 VAL A 9 18.706 -39.548 23.903 1.00 -8.10 H ATOM 180 2HG2 VAL A 9 18.588 -38.854 25.522 1.00 -8.10 H ATOM 181 3HG2 VAL A 9 19.700 -40.206 25.218 1.00 -8.10 H ATOM 182 N ILE A 10 22.007 -35.671 25.364 1.00 2.10 N ATOM 183 H ILE A 10 21.040 -35.401 25.508 1.00 2.10 H ATOM 184 CA ILE A 10 23.012 -34.633 25.131 1.00 2.10 C ATOM 185 HA ILE A 10 23.533 -34.859 24.200 1.00 2.10 H ATOM 186 C ILE A 10 24.064 -34.673 26.246 1.00 2.10 C ATOM 187 O ILE A 10 25.256 -34.625 25.960 1.00 2.10 O ATOM 188 CB ILE A 10 22.343 -33.232 24.982 1.00 2.10 C ATOM 189 HB ILE A 10 21.728 -33.050 25.862 1.00 2.10 H ATOM 190 CG1 ILE A 10 21.445 -33.230 23.724 1.00 2.10 C ATOM 191 1HG1 ILE A 10 22.090 -33.222 22.844 1.00 2.10 H ATOM 192 2HG1 ILE A 10 20.868 -34.150 23.689 1.00 2.10 H ATOM 193 CG2 ILE A 10 23.402 -32.104 24.878 1.00 2.10 C ATOM 194 1HG2 ILE A 10 22.919 -31.135 24.762 1.00 2.10 H ATOM 195 2HG2 ILE A 10 24.058 -32.280 24.022 1.00 2.10 H ATOM 196 3HG2 ILE A 10 24.010 -32.073 25.783 1.00 2.10 H ATOM 197 CD1 ILE A 10 20.449 -32.070 23.604 1.00 2.10 C ATOM 198 1HD1 ILE A 10 19.846 -32.210 22.706 1.00 2.10 H ATOM 199 2HD1 ILE A 10 20.982 -31.123 23.523 1.00 2.10 H ATOM 200 3HD1 ILE A 10 19.795 -32.053 24.475 1.00 2.10 H ATOM 201 N ARG A 11 23.675 -34.851 27.504 1.00-15.31 N ATOM 202 H ARG A 11 22.684 -34.892 27.729 1.00-15.31 H ATOM 203 CA ARG A 11 24.672 -35.009 28.575 1.00-15.31 C ATOM 204 HA ARG A 11 25.364 -34.167 28.544 1.00-15.31 H ATOM 205 C ARG A 11 25.508 -36.268 28.395 1.00-15.31 C ATOM 206 O ARG A 11 26.693 -36.262 28.703 1.00-15.31 O ATOM 207 CB ARG A 11 24.021 -35.073 29.959 1.00-15.31 C ATOM 208 1HB ARG A 11 23.189 -35.775 29.927 1.00-15.31 H ATOM 209 2HB ARG A 11 24.762 -35.460 30.659 1.00-15.31 H ATOM 210 CG ARG A 11 23.532 -33.741 30.501 1.00-15.31 C ATOM 211 1HG ARG A 11 24.372 -33.047 30.551 1.00-15.31 H ATOM 212 2HG ARG A 11 22.765 -33.330 29.849 1.00-15.31 H ATOM 213 CD ARG A 11 22.959 -33.943 31.897 1.00-15.31 C ATOM 214 1HD ARG A 11 22.111 -34.627 31.833 1.00-15.31 H ATOM 215 2HD ARG A 11 23.728 -34.395 32.526 1.00-15.31 H ATOM 216 NE ARG A 11 22.524 -32.680 32.513 1.00-15.31 N ATOM 217 HE ARG A 11 22.624 -31.853 31.949 1.00-15.31 H ATOM 218 CZ ARG A 11 22.032 -32.533 33.738 1.00-15.31 C ATOM 219 NH1 ARG A 11 21.715 -31.336 34.149 1.00-15.31 N ATOM 220 1HH1 ARG A 11 21.850 -30.539 33.552 1.00-15.31 H ATOM 221 2HH1 ARG A 11 21.340 -31.206 35.074 1.00-15.31 H ATOM 222 NH2 ARG A 11 21.854 -33.526 34.572 1.00-15.31 N ATOM 223 1HH2 ARG A 11 22.099 -34.461 34.292 1.00-15.31 H ATOM 224 2HH2 ARG A 11 21.483 -33.359 35.491 1.00-15.31 H ATOM 225 N THR A 12 24.917 -37.324 27.866 1.00 -8.80 N ATOM 226 H THR A 12 23.929 -37.287 27.652 1.00 -8.80 H ATOM 227 CA THR A 12 25.657 -38.556 27.591 1.00 -8.80 C ATOM 228 HA THR A 12 26.170 -38.864 28.502 1.00 -8.80 H ATOM 229 C THR A 12 26.710 -38.307 26.509 1.00 -8.80 C ATOM 230 O THR A 12 27.849 -38.736 26.644 1.00 -8.80 O ATOM 231 CB THR A 12 24.696 -39.691 27.163 1.00 -8.80 C ATOM 232 HB THR A 12 24.252 -39.451 26.198 1.00 -8.80 H ATOM 233 OG1 THR A 12 23.656 -39.822 28.139 1.00 -8.80 O ATOM 234 HG1 THR A 12 23.137 -39.008 28.165 1.00 -8.80 H ATOM 235 CG2 THR A 12 25.390 -41.037 27.075 1.00 -8.80 C ATOM 236 1HG2 THR A 12 24.654 -41.801 26.828 1.00 -8.80 H ATOM 237 2HG2 THR A 12 25.848 -41.282 28.034 1.00 -8.80 H ATOM 238 3HG2 THR A 12 26.155 -41.016 26.298 1.00 -8.80 H ATOM 239 N VAL A 13 26.374 -37.554 25.470 1.00-13.49 N ATOM 240 H VAL A 13 25.416 -37.224 25.378 1.00-13.49 H ATOM 241 CA VAL A 13 27.347 -37.192 24.432 1.00-13.49 C ATOM 242 HA VAL A 13 27.822 -38.102 24.075 1.00-13.49 H ATOM 243 C VAL A 13 28.442 -36.294 25.017 1.00-13.49 C ATOM 244 O VAL A 13 29.628 -36.444 24.697 1.00-13.49 O ATOM 245 CB VAL A 13 26.646 -36.495 23.221 1.00-13.49 C ATOM 246 HB VAL A 13 26.091 -35.634 23.588 1.00-13.49 H ATOM 247 CG1 VAL A 13 27.650 -36.005 22.160 1.00-13.49 C ATOM 248 1HG1 VAL A 13 27.114 -35.544 21.330 1.00-13.49 H ATOM 249 2HG1 VAL A 13 28.241 -36.840 21.779 1.00-13.49 H ATOM 250 3HG1 VAL A 13 28.319 -35.261 22.589 1.00-13.49 H ATOM 251 CG2 VAL A 13 25.661 -37.464 22.542 1.00-13.49 C ATOM 252 1HG2 VAL A 13 25.147 -36.954 21.727 1.00-13.49 H ATOM 253 2HG2 VAL A 13 24.916 -37.814 23.249 1.00-13.49 H ATOM 254 3HG2 VAL A 13 26.198 -38.326 22.141 1.00-13.49 H ATOM 255 N VAL A 14 28.085 -35.390 25.916 1.00 -5.41 N ATOM 256 H VAL A 14 27.102 -35.264 26.149 1.00 -5.41 H ATOM 257 CA VAL A 14 29.098 -34.561 26.569 1.00 -5.41 C ATOM 258 HA VAL A 14 29.683 -34.099 25.790 1.00 -5.41 H ATOM 259 C VAL A 14 30.054 -35.432 27.382 1.00 -5.41 C ATOM 260 O VAL A 14 31.267 -35.306 27.228 1.00 -5.41 O ATOM 261 CB VAL A 14 28.477 -33.429 27.445 1.00 -5.41 C ATOM 262 HB VAL A 14 27.776 -33.876 28.147 1.00 -5.41 H ATOM 263 CG1 VAL A 14 29.545 -32.667 28.248 1.00 -5.41 C ATOM 264 1HG1 VAL A 14 29.080 -31.855 28.807 1.00 -5.41 H ATOM 265 2HG1 VAL A 14 30.304 -32.254 27.582 1.00 -5.41 H ATOM 266 3HG1 VAL A 14 30.026 -33.337 28.964 1.00 -5.41 H ATOM 267 CG2 VAL A 14 27.721 -32.416 26.566 1.00 -5.41 C ATOM 268 1HG2 VAL A 14 27.177 -31.719 27.204 1.00 -5.41 H ATOM 269 2HG2 VAL A 14 27.005 -32.921 25.922 1.00 -5.41 H ATOM 270 3HG2 VAL A 14 28.419 -31.852 25.947 1.00 -5.41 H ATOM 271 N ALA A 15 29.537 -36.336 28.200 1.00 7.89 N ATOM 272 H ALA A 15 28.527 -36.435 28.270 1.00 7.89 H ATOM 273 CA ALA A 15 30.385 -37.166 29.049 1.00 7.89 C ATOM 274 HA ALA A 15 31.083 -36.515 29.577 1.00 7.89 H ATOM 275 C ALA A 15 31.213 -38.183 28.257 1.00 7.89 C ATOM 276 O ALA A 15 32.377 -38.408 28.559 1.00 7.89 O ATOM 277 CB ALA A 15 29.505 -37.885 30.081 1.00 7.89 C ATOM 278 1HB ALA A 15 28.957 -37.153 30.674 1.00 7.89 H ATOM 279 2HB ALA A 15 30.137 -38.481 30.742 1.00 7.89 H ATOM 280 3HB ALA A 15 28.797 -38.543 29.575 1.00 7.89 H ATOM 281 N GLY A 16 30.607 -38.807 27.259 1.00 7.81 N ATOM 282 H GLY A 16 29.638 -38.590 27.036 1.00 7.81 H ATOM 283 CA GLY A 16 31.272 -39.867 26.521 1.00 7.81 C ATOM 284 1HA GLY A 16 31.858 -40.465 27.220 1.00 7.81 H ATOM 285 2HA GLY A 16 30.512 -40.514 26.086 1.00 7.81 H ATOM 286 C GLY A 16 32.194 -39.420 25.409 1.00 7.81 C ATOM 287 O GLY A 16 33.071 -40.180 25.013 1.00 7.81 O ATOM 288 N TYR A 17 32.005 -38.213 24.890 1.00 -1.64 N ATOM 289 H TYR A 17 31.254 -37.632 25.241 1.00 -1.64 H ATOM 290 CA TYR A 17 32.820 -37.735 23.770 1.00 -1.64 C ATOM 291 HA TYR A 17 33.665 -38.411 23.647 1.00 -1.64 H ATOM 292 C TYR A 17 33.391 -36.335 23.939 1.00 -1.64 C ATOM 293 O TYR A 17 34.583 -36.125 23.718 1.00 -1.64 O ATOM 294 CB TYR A 17 32.001 -37.776 22.475 1.00 -1.64 C ATOM 295 1HB TYR A 17 31.215 -37.024 22.526 1.00 -1.64 H ATOM 296 2HB TYR A 17 32.655 -37.534 21.638 1.00 -1.64 H ATOM 297 CG TYR A 17 31.352 -39.121 22.226 1.00 -1.64 C ATOM 298 CD1 TYR A 17 29.981 -39.312 22.483 1.00 -1.64 C ATOM 299 HD1 TYR A 17 29.392 -38.484 22.836 1.00 -1.64 H ATOM 300 CD2 TYR A 17 32.107 -40.217 21.762 1.00 -1.64 C ATOM 301 HD2 TYR A 17 33.163 -40.097 21.564 1.00 -1.64 H ATOM 302 CE1 TYR A 17 29.370 -40.578 22.294 1.00 -1.64 C ATOM 303 HE1 TYR A 17 28.321 -40.718 22.504 1.00 -1.64 H ATOM 304 CE2 TYR A 17 31.501 -41.489 21.571 1.00 -1.64 C ATOM 305 HE2 TYR A 17 32.091 -42.322 21.224 1.00 -1.64 H ATOM 306 CZ TYR A 17 30.139 -41.654 21.846 1.00 -1.64 C ATOM 307 OH TYR A 17 29.550 -42.880 21.673 1.00 -1.64 O ATOM 308 HH TYR A 17 30.170 -43.546 21.372 1.00 -1.64 H ATOM 309 N ASN A 18 32.575 -35.359 24.316 1.00 28.14 N ATOM 310 H ASN A 18 31.602 -35.561 24.524 1.00 28.14 H ATOM 311 CA ASN A 18 33.079 -33.981 24.368 1.00 28.14 C ATOM 312 HA ASN A 18 33.608 -33.789 23.435 1.00 28.14 H ATOM 313 C ASN A 18 34.074 -33.782 25.502 1.00 28.14 C ATOM 314 O ASN A 18 34.994 -32.981 25.379 1.00 28.14 O ATOM 315 CB ASN A 18 31.962 -32.944 24.483 1.00 28.14 C ATOM 316 1HB ASN A 18 31.356 -33.161 25.350 1.00 28.14 H ATOM 317 2HB ASN A 18 32.418 -31.964 24.625 1.00 28.14 H ATOM 318 CG ASN A 18 31.110 -32.880 23.242 1.00 28.14 C ATOM 319 OD1 ASN A 18 31.619 -32.896 22.138 1.00 28.14 O ATOM 320 ND2 ASN A 18 29.819 -32.794 23.404 1.00 28.14 N ATOM 321 1HD2 ASN A 18 29.244 -32.736 22.580 1.00 28.14 H ATOM 322 2HD2 ASN A 18 29.417 -32.783 24.323 1.00 28.14 H ATOM 323 N LEU A 19 33.953 -34.560 26.567 1.00 12.61 N ATOM 324 H LEU A 19 33.140 -35.167 26.651 1.00 12.61 H ATOM 325 CA LEU A 19 34.935 -34.571 27.651 1.00 12.61 C ATOM 326 HA LEU A 19 34.986 -33.583 28.108 1.00 12.61 H ATOM 327 C LEU A 19 36.323 -34.929 27.128 1.00 12.61 C ATOM 328 O LEU A 19 37.333 -34.381 27.554 1.00 12.61 O ATOM 329 CB LEU A 19 34.491 -35.601 28.697 1.00 12.61 C ATOM 330 1HB LEU A 19 33.490 -35.324 29.029 1.00 12.61 H ATOM 331 2HB LEU A 19 34.413 -36.566 28.195 1.00 12.61 H ATOM 332 CG LEU A 19 35.362 -35.811 29.945 1.00 12.61 C ATOM 333 HG LEU A 19 36.334 -36.191 29.630 1.00 12.61 H ATOM 334 CD1 LEU A 19 35.585 -34.525 30.744 1.00 12.61 C ATOM 335 1HD1 LEU A 19 36.152 -34.748 31.648 1.00 12.61 H ATOM 336 2HD1 LEU A 19 34.629 -34.080 31.019 1.00 12.61 H ATOM 337 3HD1 LEU A 19 36.162 -33.816 30.148 1.00 12.61 H ATOM 338 CD2 LEU A 19 34.708 -36.857 30.842 1.00 12.61 C ATOM 339 1HD2 LEU A 19 35.363 -37.086 31.681 1.00 12.61 H ATOM 340 2HD2 LEU A 19 34.535 -37.774 30.274 1.00 12.61 H ATOM 341 3HD2 LEU A 19 33.751 -36.492 31.217 1.00 12.61 H ATOM 342 N TYR A 20 36.360 -35.792 26.126 1.00 8.18 N ATOM 343 H TYR A 20 35.495 -36.150 25.742 1.00 8.18 H ATOM 344 CA TYR A 20 37.615 -36.264 25.554 1.00 8.18 C ATOM 345 HA TYR A 20 38.404 -36.101 26.286 1.00 8.18 H ATOM 346 C TYR A 20 37.985 -35.488 24.297 1.00 8.18 C ATOM 347 O TYR A 20 38.930 -35.842 23.584 1.00 8.18 O ATOM 348 CB TYR A 20 37.511 -37.763 25.297 1.00 8.18 C ATOM 349 1HB TYR A 20 36.783 -37.941 24.505 1.00 8.18 H ATOM 350 2HB TYR A 20 38.481 -38.145 24.982 1.00 8.18 H ATOM 351 CG TYR A 20 37.067 -38.491 26.546 1.00 8.18 C ATOM 352 CD1 TYR A 20 35.781 -39.061 26.626 1.00 8.18 C ATOM 353 HD1 TYR A 20 35.117 -39.019 25.775 1.00 8.18 H ATOM 354 CD2 TYR A 20 37.910 -38.570 27.675 1.00 8.18 C ATOM 355 HD2 TYR A 20 38.900 -38.138 27.643 1.00 8.18 H ATOM 356 CE1 TYR A 20 35.336 -39.686 27.818 1.00 8.18 C ATOM 357 HE1 TYR A 20 34.341 -40.103 27.876 1.00 8.18 H ATOM 358 CE2 TYR A 20 37.467 -39.200 28.869 1.00 8.18 C ATOM 359 HE2 TYR A 20 38.114 -39.247 29.731 1.00 8.18 H ATOM 360 CZ TYR A 20 36.182 -39.750 28.926 1.00 8.18 C ATOM 361 OH TYR A 20 35.755 -40.355 30.081 1.00 8.18 O ATOM 362 HH TYR A 20 36.414 -40.330 30.775 1.00 8.18 H ATOM 363 N ARG A 21 37.259 -34.403 24.059 1.00 12.63 N ATOM 364 H ARG A 21 36.463 -34.217 24.659 1.00 12.63 H ATOM 365 CA ARG A 21 37.577 -33.437 23.005 1.00 12.63 C ATOM 366 HA ARG A 21 38.409 -33.819 22.418 1.00 12.63 H ATOM 367 C ARG A 21 38.033 -32.120 23.618 1.00 12.63 C ATOM 368 O ARG A 21 38.901 -31.486 23.055 1.00 12.63 O ATOM 369 CB ARG A 21 36.372 -33.219 22.072 1.00 12.63 C ATOM 370 1HB ARG A 21 36.104 -34.179 21.630 1.00 12.63 H ATOM 371 2HB ARG A 21 35.529 -32.877 22.671 1.00 12.63 H ATOM 372 CG ARG A 21 36.589 -32.194 20.941 1.00 12.63 C ATOM 373 1HG ARG A 21 35.653 -32.048 20.401 1.00 12.63 H ATOM 374 2HG ARG A 21 36.874 -31.241 21.384 1.00 12.63 H ATOM 375 CD ARG A 21 37.682 -32.618 19.954 1.00 12.63 C ATOM 376 1HD ARG A 21 38.562 -32.938 20.511 1.00 12.63 H ATOM 377 2HD ARG A 21 37.321 -33.467 19.372 1.00 12.63 H ATOM 378 NE ARG A 21 38.101 -31.538 19.043 1.00 12.63 N ATOM 379 HE ARG A 21 37.651 -31.506 18.144 1.00 12.63 H ATOM 380 CZ ARG A 21 39.059 -30.647 19.283 1.00 12.63 C ATOM 381 NH1 ARG A 21 39.523 -29.921 18.306 1.00 12.63 N ATOM 382 1HH1 ARG A 21 39.156 -30.005 17.380 1.00 12.63 H ATOM 383 2HH1 ARG A 21 40.277 -29.279 18.504 1.00 12.63 H ATOM 384 NH2 ARG A 21 39.593 -30.453 20.451 1.00 12.63 N ATOM 385 1HH2 ARG A 21 39.220 -30.888 21.285 1.00 12.63 H ATOM 386 2HH2 ARG A 21 40.421 -29.867 20.567 1.00 12.63 H ATOM 387 N ALA A 22 37.511 -31.743 24.775 1.00 11.98 N ATOM 388 H ALA A 22 36.797 -32.318 25.208 1.00 11.98 H ATOM 389 CA ALA A 22 37.862 -30.492 25.459 1.00 11.98 C ATOM 390 HA ALA A 22 37.840 -29.684 24.726 1.00 11.98 H ATOM 391 C ALA A 22 39.259 -30.477 26.107 1.00 11.98 C ATOM 392 O ALA A 22 39.598 -29.572 26.860 1.00 11.98 O ATOM 393 CB ALA A 22 36.789 -30.214 26.524 1.00 11.98 C ATOM 394 1HB ALA A 22 35.802 -30.196 26.062 1.00 11.98 H ATOM 395 2HB ALA A 22 36.983 -29.247 26.991 1.00 11.98 H ATOM 396 3HB ALA A 22 36.819 -30.991 27.290 1.00 11.98 H ATOM 397 N ILE A 23 40.040 -31.508 25.825 1.00 -9.54 N ATOM 398 H ILE A 23 39.695 -32.200 25.186 1.00 -9.54 H ATOM 399 CA ILE A 23 41.380 -31.709 26.375 1.00 -9.54 C ATOM 400 HA ILE A 23 41.662 -30.850 26.983 1.00 -9.54 H ATOM 401 C ILE A 23 42.382 -31.804 25.218 1.00 -9.54 C ATOM 402 O ILE A 23 43.474 -32.359 25.356 1.00 -9.54 O ATOM 403 CB ILE A 23 41.394 -32.983 27.282 1.00 -9.54 C ATOM 404 HB ILE A 23 42.409 -33.131 27.651 1.00 -9.54 H ATOM 405 CG1 ILE A 23 40.958 -34.237 26.490 1.00 -9.54 C ATOM 406 1HG1 ILE A 23 39.908 -34.136 26.217 1.00 -9.54 H ATOM 407 2HG1 ILE A 23 41.539 -34.288 25.576 1.00 -9.54 H ATOM 408 CG2 ILE A 23 40.464 -32.765 28.506 1.00 -9.54 C ATOM 409 1HG2 ILE A 23 40.606 -33.562 29.233 1.00 -9.54 H ATOM 410 2HG2 ILE A 23 39.417 -32.747 28.197 1.00 -9.54 H ATOM 411 3HG2 ILE A 23 40.704 -31.813 28.985 1.00 -9.54 H ATOM 412 CD1 ILE A 23 41.132 -35.575 27.220 1.00 -9.54 C ATOM 413 1HD1 ILE A 23 40.900 -36.392 26.537 1.00 -9.54 H ATOM 414 2HD1 ILE A 23 40.455 -35.627 28.074 1.00 -9.54 H ATOM 415 3HD1 ILE A 23 42.163 -35.678 27.564 1.00 -9.54 H ATOM 416 N LYS A 24 41.953 -31.322 24.055 1.00-11.53 N ATOM 417 H LYS A 24 41.102 -30.764 24.025 1.00-11.53 H ATOM 418 CA LYS A 24 42.647 -31.434 22.768 1.00-11.53 C ATOM 419 HA LYS A 24 43.731 -31.414 22.881 1.00-11.53 H ATOM 420 C LYS A 24 42.160 -30.192 22.044 1.00-11.53 C ATOM 421 O LYS A 24 42.458 -29.980 20.852 1.00-11.53 O ATOM 422 OXT LYS A 24 41.327 -29.515 22.680 1.00-11.53 O ATOM 423 CB LYS A 24 42.180 -32.667 21.985 1.00-11.53 C ATOM 424 1HB LYS A 24 41.093 -32.629 21.936 1.00-11.53 H ATOM 425 2HB LYS A 24 42.570 -32.614 20.969 1.00-11.53 H ATOM 426 CG LYS A 24 42.590 -33.992 22.593 1.00-11.53 C ATOM 427 1HG LYS A 24 43.665 -34.138 22.483 1.00-11.53 H ATOM 428 2HG LYS A 24 42.344 -33.980 23.647 1.00-11.53 H ATOM 429 CD LYS A 24 41.836 -35.139 21.970 1.00-11.53 C ATOM 430 1HD LYS A 24 40.772 -34.909 22.012 1.00-11.53 H ATOM 431 2HD LYS A 24 42.136 -35.269 20.930 1.00-11.53 H ATOM 432 CE LYS A 24 42.097 -36.408 22.767 1.00-11.53 C ATOM 433 1HE LYS A 24 43.113 -36.759 22.575 1.00-11.53 H ATOM 434 2HE LYS A 24 41.998 -36.177 23.831 1.00-11.53 H ATOM 435 NZ LYS A 24 41.092 -37.460 22.411 1.00-11.53 N ATOM 436 1HZ LYS A 24 41.274 -38.303 22.937 1.00-11.53 H ATOM 437 2HZ LYS A 24 41.132 -37.659 21.422 1.00-11.53 H ATOM 438 3HZ LYS A 24 40.164 -37.115 22.649 1.00-11.53 H TER 439 LYS A 24 END
SEQUENCE	RIKRFWPVVIRTVVAGYNLYRAIK
HELICITY	62.50	INSTAB. INDEX	13.53	FLEXIBILITY	7.99
a HYD. MOM.	58.58	b HYD. MOM.	23.80	c HYD. MOM	6.36
a MEAN HYD. MOM.	2.44	b MEAN HYD. MOM.	0.99	c MEAN HYD. MOM.	0.26
CHARGE pH5	6.00	CHARGE pH7	6.00	CHARGE pH9	5.59
Δ CHARGE pH5-pH9	0.42	ISOELECTRIC POINT	11.58	BOMAN INDEX	1.44
ΔG	5	CPP	0,04	MLP	-3,33
MOLECULAR VOLUME		POLARITY
MIC E. coli	0,65	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	2	MIC M. luteus		MIC B. subtilis	1
MIC C. albicans	0,16	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