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ID	1000	NAME	LR7   Blast NCBI-PROT
LENGTH	20	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\RIKRFWPVVIRTVVAGYNLY.pdb REMARK YASARA Written on: Wed May 14 12:12:53 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 363 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 20 ARG ILE LYS ARG PHE TRP PRO VAL VAL ILE ARG THR VAL SEQRES 2 A 20 VAL ALA GLY TYR ASN LEU TYR 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 3.076 -29.773 16.038 1.00-26.15 N ATOM 2 1H ARG A 1 2.125 -29.865 15.712 1.00-26.15 H ATOM 3 2H ARG A 1 3.710 -30.122 15.330 1.00-26.15 H ATOM 4 3H ARG A 1 3.280 -28.798 16.209 1.00-26.15 H ATOM 5 CA ARG A 1 3.260 -30.557 17.296 1.00-26.15 C ATOM 6 HA ARG A 1 2.608 -30.160 18.072 1.00-26.15 H ATOM 7 C ARG A 1 4.699 -30.438 17.765 1.00-26.15 C ATOM 8 O ARG A 1 5.599 -30.698 16.981 1.00-26.15 O ATOM 9 CB ARG A 1 2.901 -32.035 17.039 1.00-26.15 C ATOM 10 1HB ARG A 1 1.839 -32.093 16.802 1.00-26.15 H ATOM 11 2HB ARG A 1 3.460 -32.377 16.167 1.00-26.15 H ATOM 12 CG ARG A 1 3.207 -32.999 18.193 1.00-26.15 C ATOM 13 1HG ARG A 1 4.285 -33.041 18.321 1.00-26.15 H ATOM 14 2HG ARG A 1 2.750 -32.628 19.110 1.00-26.15 H ATOM 15 CD ARG A 1 2.718 -34.419 17.933 1.00-26.15 C ATOM 16 1HD ARG A 1 1.629 -34.414 17.876 1.00-26.15 H ATOM 17 2HD ARG A 1 3.122 -34.765 16.981 1.00-26.15 H ATOM 18 NE ARG A 1 3.155 -35.341 18.995 1.00-26.15 N ATOM 19 HE ARG A 1 3.764 -34.964 19.706 1.00-26.15 H ATOM 20 CZ ARG A 1 2.836 -36.625 19.103 1.00-26.15 C ATOM 21 NH1 ARG A 1 3.386 -37.334 20.046 1.00-26.15 N ATOM 22 1HH1 ARG A 1 4.106 -36.930 20.642 1.00-26.15 H ATOM 23 2HH1 ARG A 1 3.113 -38.291 20.179 1.00-26.15 H ATOM 24 NH2 ARG A 1 1.990 -37.231 18.309 1.00-26.15 N ATOM 25 1HH2 ARG A 1 1.544 -36.719 17.569 1.00-26.15 H ATOM 26 2HH2 ARG A 1 1.778 -38.204 18.442 1.00-26.15 H ATOM 27 N ILE A 2 4.922 -30.043 19.012 1.00-18.10 N ATOM 28 H ILE A 2 4.161 -29.785 19.620 1.00-18.10 H ATOM 29 CA ILE A 2 6.266 -30.057 19.593 1.00-18.10 C ATOM 30 HA ILE A 2 6.981 -29.579 18.921 1.00-18.10 H ATOM 31 C ILE A 2 6.583 -31.542 19.732 1.00-18.10 C ATOM 32 O ILE A 2 5.722 -32.298 20.186 1.00-18.10 O ATOM 33 CB ILE A 2 6.302 -29.363 20.992 1.00-18.10 C ATOM 34 HB ILE A 2 5.580 -29.862 21.640 1.00-18.10 H ATOM 35 CG1 ILE A 2 5.888 -27.882 20.851 1.00-18.10 C ATOM 36 1HG1 ILE A 2 6.663 -27.358 20.290 1.00-18.10 H ATOM 37 2HG1 ILE A 2 4.965 -27.823 20.278 1.00-18.10 H ATOM 38 CG2 ILE A 2 7.708 -29.483 21.642 1.00-18.10 C ATOM 39 1HG2 ILE A 2 7.712 -29.015 22.626 1.00-18.10 H ATOM 40 2HG2 ILE A 2 8.460 -28.991 21.020 1.00-18.10 H ATOM 41 3HG2 ILE A 2 7.983 -30.532 21.773 1.00-18.10 H ATOM 42 CD1 ILE A 2 5.651 -27.129 22.171 1.00-18.10 C ATOM 43 1HD1 ILE A 2 5.266 -26.132 21.951 1.00-18.10 H ATOM 44 2HD1 ILE A 2 6.586 -27.024 22.722 1.00-18.10 H ATOM 45 3HD1 ILE A 2 4.923 -27.663 22.782 1.00-18.10 H ATOM 46 N LYS A 3 7.767 -31.977 19.321 1.00 -1.75 N ATOM 47 H LYS A 3 8.446 -31.322 18.963 1.00 -1.75 H ATOM 48 CA LYS A 3 8.132 -33.390 19.438 1.00 -1.75 C ATOM 49 HA LYS A 3 7.346 -33.998 18.994 1.00 -1.75 H ATOM 50 C LYS A 3 8.222 -33.728 20.920 1.00 -1.75 C ATOM 51 O LYS A 3 9.023 -33.158 21.652 1.00 -1.75 O ATOM 52 CB LYS A 3 9.462 -33.685 18.739 1.00 -1.75 C ATOM 53 1HB LYS A 3 10.231 -33.030 19.150 1.00 -1.75 H ATOM 54 2HB LYS A 3 9.739 -34.716 18.952 1.00 -1.75 H ATOM 55 CG LYS A 3 9.406 -33.500 17.226 1.00 -1.75 C ATOM 56 1HG LYS A 3 8.612 -34.127 16.820 1.00 -1.75 H ATOM 57 2HG LYS A 3 9.187 -32.457 16.997 1.00 -1.75 H ATOM 58 CD LYS A 3 10.727 -33.885 16.568 1.00 -1.75 C ATOM 59 1HD LYS A 3 11.528 -33.282 16.997 1.00 -1.75 H ATOM 60 2HD LYS A 3 10.928 -34.939 16.764 1.00 -1.75 H ATOM 61 CE LYS A 3 10.668 -33.652 15.058 1.00 -1.75 C ATOM 62 1HE LYS A 3 9.843 -34.236 14.643 1.00 -1.75 H ATOM 63 2HE LYS A 3 10.469 -32.594 14.873 1.00 -1.75 H ATOM 64 NZ LYS A 3 11.948 -34.043 14.367 1.00 -1.75 N ATOM 65 1HZ LYS A 3 11.868 -33.871 13.373 1.00 -1.75 H ATOM 66 2HZ LYS A 3 12.134 -35.026 14.518 1.00 -1.75 H ATOM 67 3HZ LYS A 3 12.717 -33.499 14.735 1.00 -1.75 H ATOM 68 N ARG A 4 7.335 -34.608 21.354 1.00 9.65 N ATOM 69 H ARG A 4 6.678 -35.015 20.703 1.00 9.65 H ATOM 70 CA ARG A 4 7.218 -35.045 22.738 1.00 9.65 C ATOM 71 HA ARG A 4 8.207 -35.212 23.169 1.00 9.65 H ATOM 72 C ARG A 4 6.473 -36.347 22.536 1.00 9.65 C ATOM 73 O ARG A 4 5.726 -36.455 21.553 1.00 9.65 O ATOM 74 CB ARG A 4 6.419 -34.025 23.559 1.00 9.65 C ATOM 75 1HB ARG A 4 6.882 -33.051 23.404 1.00 9.65 H ATOM 76 2HB ARG A 4 5.399 -33.980 23.176 1.00 9.65 H ATOM 77 CG ARG A 4 6.379 -34.309 25.059 1.00 9.65 C ATOM 78 1HG ARG A 4 5.824 -35.230 25.235 1.00 9.65 H ATOM 79 2HG ARG A 4 7.398 -34.434 25.425 1.00 9.65 H ATOM 80 CD ARG A 4 5.719 -33.170 25.833 1.00 9.65 C ATOM 81 1HD ARG A 4 4.720 -32.998 25.428 1.00 9.65 H ATOM 82 2HD ARG A 4 5.630 -33.465 26.879 1.00 9.65 H ATOM 83 NE ARG A 4 6.506 -31.927 25.753 1.00 9.65 N ATOM 84 HE ARG A 4 7.371 -31.983 25.239 1.00 9.65 H ATOM 85 CZ ARG A 4 6.193 -30.756 26.292 1.00 9.65 C ATOM 86 NH1 ARG A 4 7.015 -29.755 26.134 1.00 9.65 N ATOM 87 1HH1 ARG A 4 7.874 -29.879 25.626 1.00 9.65 H ATOM 88 2HH1 ARG A 4 6.795 -28.855 26.527 1.00 9.65 H ATOM 89 NH2 ARG A 4 5.095 -30.541 26.974 1.00 9.65 N ATOM 90 1HH2 ARG A 4 4.443 -31.294 27.113 1.00 9.65 H ATOM 91 2HH2 ARG A 4 4.905 -29.633 27.360 1.00 9.65 H ATOM 92 N PHE A 5 6.713 -37.326 23.389 1.00 7.56 N ATOM 93 H PHE A 5 7.233 -37.145 24.235 1.00 7.56 H ATOM 94 CA PHE A 5 6.289 -38.703 23.172 1.00 7.56 C ATOM 95 HA PHE A 5 5.408 -38.749 22.533 1.00 7.56 H ATOM 96 C PHE A 5 5.982 -39.227 24.565 1.00 7.56 C ATOM 97 O PHE A 5 6.109 -38.471 25.526 1.00 7.56 O ATOM 98 CB PHE A 5 7.443 -39.507 22.562 1.00 7.56 C ATOM 99 1HB PHE A 5 8.221 -39.622 23.315 1.00 7.56 H ATOM 100 2HB PHE A 5 7.078 -40.497 22.288 1.00 7.56 H ATOM 101 CG PHE A 5 8.062 -38.862 21.351 1.00 7.56 C ATOM 102 CD1 PHE A 5 9.294 -38.189 21.459 1.00 7.56 C ATOM 103 HD1 PHE A 5 9.813 -38.160 22.407 1.00 7.56 H ATOM 104 CD2 PHE A 5 7.414 -38.908 20.104 1.00 7.56 C ATOM 105 HD2 PHE A 5 6.476 -39.435 20.003 1.00 7.56 H ATOM 106 CE1 PHE A 5 9.867 -37.539 20.339 1.00 7.56 C ATOM 107 HE1 PHE A 5 10.810 -37.020 20.438 1.00 7.56 H ATOM 108 CE2 PHE A 5 7.976 -38.266 18.972 1.00 7.56 C ATOM 109 HE2 PHE A 5 7.470 -38.311 18.018 1.00 7.56 H ATOM 110 CZ PHE A 5 9.205 -37.579 19.092 1.00 7.56 C ATOM 111 HZ PHE A 5 9.640 -37.094 18.231 1.00 7.56 H ATOM 112 N TRP A 6 5.663 -40.506 24.694 1.00 13.40 N ATOM 113 H TRP A 6 5.535 -41.085 23.881 1.00 13.40 H ATOM 114 CA TRP A 6 5.570 -41.130 26.012 1.00 13.40 C ATOM 115 HA TRP A 6 4.813 -40.612 26.602 1.00 13.40 H ATOM 116 C TRP A 6 6.939 -41.005 26.681 1.00 13.40 C ATOM 117 O TRP A 6 7.957 -41.032 25.984 1.00 13.40 O ATOM 118 CB TRP A 6 5.200 -42.606 25.857 1.00 13.40 C ATOM 119 1HB TRP A 6 6.056 -43.146 25.457 1.00 13.40 H ATOM 120 2HB TRP A 6 4.956 -43.015 26.837 1.00 13.40 H ATOM 121 CG TRP A 6 4.041 -42.808 24.931 1.00 13.40 C ATOM 122 CD1 TRP A 6 4.058 -43.431 23.719 1.00 13.40 C ATOM 123 HD1 TRP A 6 4.938 -43.882 23.279 1.00 13.40 H ATOM 124 CD2 TRP A 6 2.678 -42.382 25.124 1.00 13.40 C ATOM 125 NE1 TRP A 6 2.820 -43.425 23.137 1.00 13.40 N ATOM 126 HE1 TRP A 6 2.601 -43.851 22.246 1.00 13.40 H ATOM 127 CE2 TRP A 6 1.947 -42.774 23.965 1.00 13.40 C ATOM 128 CE3 TRP A 6 2.000 -41.695 26.153 1.00 13.40 C ATOM 129 HE3 TRP A 6 2.521 -41.394 27.049 1.00 13.40 H ATOM 130 CZ2 TRP A 6 0.574 -42.495 23.808 1.00 13.40 C ATOM 131 HZ2 TRP A 6 0.040 -42.811 22.925 1.00 13.40 H ATOM 132 CZ3 TRP A 6 0.618 -41.410 25.999 1.00 13.40 C ATOM 133 HZ3 TRP A 6 0.085 -40.889 26.782 1.00 13.40 H ATOM 134 CH2 TRP A 6 -0.078 -41.816 24.823 1.00 13.40 C ATOM 135 HH2 TRP A 6 -1.132 -41.594 24.726 1.00 13.40 H ATOM 136 N PRO A 7 7.009 -40.912 28.021 1.00 20.81 N ATOM 137 CA PRO A 7 8.350 -40.627 28.553 1.00 20.81 C ATOM 138 HA PRO A 7 8.754 -39.741 28.065 1.00 20.81 H ATOM 139 C PRO A 7 9.373 -41.751 28.403 1.00 20.81 C ATOM 140 O PRO A 7 10.570 -41.492 28.400 1.00 20.81 O ATOM 141 CB PRO A 7 8.068 -40.306 30.023 1.00 20.81 C ATOM 142 1HB PRO A 7 8.912 -40.586 30.654 1.00 20.81 H ATOM 143 2HB PRO A 7 7.842 -39.246 30.137 1.00 20.81 H ATOM 144 CG PRO A 7 6.857 -41.111 30.340 1.00 20.81 C ATOM 145 1HG PRO A 7 7.128 -42.156 30.491 1.00 20.81 H ATOM 146 2HG PRO A 7 6.345 -40.716 31.218 1.00 20.81 H ATOM 147 CD PRO A 7 6.006 -40.953 29.102 1.00 20.81 C ATOM 148 1HD PRO A 7 5.333 -41.803 28.988 1.00 20.81 H ATOM 149 2HD PRO A 7 5.448 -40.015 29.136 1.00 20.81 H ATOM 150 N VAL A 8 8.927 -42.984 28.205 1.00-19.13 N ATOM 151 H VAL A 8 7.939 -43.174 28.253 1.00-19.13 H ATOM 152 CA VAL A 8 9.842 -44.086 27.903 1.00-19.13 C ATOM 153 HA VAL A 8 10.625 -44.121 28.661 1.00-19.13 H ATOM 154 C VAL A 8 10.494 -43.841 26.540 1.00-19.13 C ATOM 155 O VAL A 8 11.693 -44.028 26.362 1.00-19.13 O ATOM 156 CB VAL A 8 9.079 -45.443 27.894 1.00-19.13 C ATOM 157 HB VAL A 8 8.313 -45.403 27.120 1.00-19.13 H ATOM 158 CG1 VAL A 8 10.017 -46.619 27.594 1.00-19.13 C ATOM 159 1HG1 VAL A 8 9.457 -47.556 27.620 1.00-19.13 H ATOM 160 2HG1 VAL A 8 10.821 -46.666 28.330 1.00-19.13 H ATOM 161 3HG1 VAL A 8 10.453 -46.514 26.599 1.00-19.13 H ATOM 162 CG2 VAL A 8 8.381 -45.673 29.247 1.00-19.13 C ATOM 163 1HG2 VAL A 8 7.897 -46.652 29.246 1.00-19.13 H ATOM 164 2HG2 VAL A 8 7.613 -44.921 29.421 1.00-19.13 H ATOM 165 3HG2 VAL A 8 9.110 -45.645 30.059 1.00-19.13 H ATOM 166 N VAL A 9 9.714 -43.356 25.587 1.00 -9.09 N ATOM 167 H VAL A 9 8.748 -43.151 25.785 1.00 -9.09 H ATOM 168 CA VAL A 9 10.213 -43.080 24.243 1.00 -9.09 C ATOM 169 HA VAL A 9 10.801 -43.933 23.903 1.00 -9.09 H ATOM 170 C VAL A 9 11.132 -41.861 24.290 1.00 -9.09 C ATOM 171 O VAL A 9 12.173 -41.859 23.651 1.00 -9.09 O ATOM 172 CB VAL A 9 9.041 -42.864 23.245 1.00 -9.09 C ATOM 173 HB VAL A 9 8.456 -42.013 23.580 1.00 -9.09 H ATOM 174 CG1 VAL A 9 9.545 -42.582 21.822 1.00 -9.09 C ATOM 175 1HG1 VAL A 9 8.703 -42.475 21.140 1.00 -9.09 H ATOM 176 2HG1 VAL A 9 10.182 -43.400 21.478 1.00 -9.09 H ATOM 177 3HG1 VAL A 9 10.122 -41.656 21.803 1.00 -9.09 H ATOM 178 CG2 VAL A 9 8.119 -44.097 23.224 1.00 -9.09 C ATOM 179 1HG2 VAL A 9 7.322 -43.948 22.495 1.00 -9.09 H ATOM 180 2HG2 VAL A 9 7.668 -44.260 24.200 1.00 -9.09 H ATOM 181 3HG2 VAL A 9 8.690 -44.984 22.942 1.00 -9.09 H ATOM 182 N ILE A 10 10.825 -40.866 25.113 1.00 -0.55 N ATOM 183 H ILE A 10 9.954 -40.892 25.633 1.00 -0.55 H ATOM 184 CA ILE A 10 11.734 -39.724 25.271 1.00 -0.55 C ATOM 185 HA ILE A 10 11.928 -39.297 24.287 1.00 -0.55 H ATOM 186 C ILE A 10 13.071 -40.222 25.829 1.00 -0.55 C ATOM 187 O ILE A 10 14.132 -39.861 25.326 1.00 -0.55 O ATOM 188 CB ILE A 10 11.148 -38.605 26.193 1.00 -0.55 C ATOM 189 HB ILE A 10 10.929 -39.039 27.169 1.00 -0.55 H ATOM 190 CG1 ILE A 10 9.839 -38.048 25.594 1.00 -0.55 C ATOM 191 1HG1 ILE A 10 10.076 -37.535 24.662 1.00 -0.55 H ATOM 192 2HG1 ILE A 10 9.177 -38.876 25.359 1.00 -0.55 H ATOM 193 CG2 ILE A 10 12.172 -37.451 26.387 1.00 -0.55 C ATOM 194 1HG2 ILE A 10 11.776 -36.692 27.061 1.00 -0.55 H ATOM 195 2HG2 ILE A 10 12.409 -36.987 25.427 1.00 -0.55 H ATOM 196 3HG2 ILE A 10 13.095 -37.829 26.828 1.00 -0.55 H ATOM 197 CD1 ILE A 10 9.061 -37.075 26.500 1.00 -0.55 C ATOM 198 1HD1 ILE A 10 8.099 -36.848 26.047 1.00 -0.55 H ATOM 199 2HD1 ILE A 10 9.616 -36.146 26.624 1.00 -0.55 H ATOM 200 3HD1 ILE A 10 8.890 -37.530 27.476 1.00 -0.55 H ATOM 201 N ARG A 11 13.052 -41.108 26.818 1.00-12.92 N ATOM 202 H ARG A 11 12.164 -41.405 27.214 1.00-12.92 H ATOM 203 CA ARG A 11 14.304 -41.663 27.344 1.00-12.92 C ATOM 204 HA ARG A 11 14.976 -40.841 27.592 1.00-12.92 H ATOM 205 C ARG A 11 15.033 -42.516 26.314 1.00-12.92 C ATOM 206 O ARG A 11 16.253 -42.542 26.307 1.00-12.92 O ATOM 207 CB ARG A 11 14.054 -42.490 28.606 1.00-12.92 C ATOM 208 1HB ARG A 11 13.270 -43.219 28.402 1.00-12.92 H ATOM 209 2HB ARG A 11 14.969 -43.029 28.852 1.00-12.92 H ATOM 210 CG ARG A 11 13.661 -41.652 29.814 1.00-12.92 C ATOM 211 1HG ARG A 11 14.475 -40.966 30.049 1.00-12.92 H ATOM 212 2HG ARG A 11 12.769 -41.073 29.587 1.00-12.92 H ATOM 213 CD ARG A 11 13.387 -42.537 31.018 1.00-12.92 C ATOM 214 1HD ARG A 11 12.588 -43.236 30.767 1.00-12.92 H ATOM 215 2HD ARG A 11 14.291 -43.100 31.255 1.00-12.92 H ATOM 216 NE ARG A 11 12.990 -41.740 32.191 1.00-12.92 N ATOM 217 HE ARG A 11 12.934 -40.744 32.052 1.00-12.92 H ATOM 218 CZ ARG A 11 12.713 -42.207 33.402 1.00-12.92 C ATOM 219 NH1 ARG A 11 12.378 -41.363 34.338 1.00-12.92 N ATOM 220 1HH1 ARG A 11 12.338 -40.376 34.145 1.00-12.92 H ATOM 221 2HH1 ARG A 11 12.167 -41.695 35.265 1.00-12.92 H ATOM 222 NH2 ARG A 11 12.761 -43.477 33.718 1.00-12.92 N ATOM 223 1HH2 ARG A 11 13.024 -44.153 33.022 1.00-12.92 H ATOM 224 2HH2 ARG A 11 12.543 -43.778 34.653 1.00-12.92 H ATOM 225 N THR A 12 14.306 -43.158 25.416 1.00 -9.28 N ATOM 226 H THR A 12 13.297 -43.132 25.485 1.00 -9.28 H ATOM 227 CA THR A 12 14.922 -43.914 24.325 1.00 -9.28 C ATOM 228 HA THR A 12 15.662 -44.595 24.746 1.00 -9.28 H ATOM 229 C THR A 12 15.636 -42.967 23.357 1.00 -9.28 C ATOM 230 O THR A 12 16.755 -43.235 22.935 1.00 -9.28 O ATOM 231 CB THR A 12 13.862 -44.748 23.565 1.00 -9.28 C ATOM 232 HB THR A 12 13.171 -44.081 23.052 1.00 -9.28 H ATOM 233 OG1 THR A 12 13.133 -45.551 24.499 1.00 -9.28 O ATOM 234 HG1 THR A 12 12.709 -44.979 25.151 1.00 -9.28 H ATOM 235 CG2 THR A 12 14.481 -45.699 22.559 1.00 -9.28 C ATOM 236 1HG2 THR A 12 13.694 -46.302 22.108 1.00 -9.28 H ATOM 237 2HG2 THR A 12 15.191 -46.359 23.059 1.00 -9.28 H ATOM 238 3HG2 THR A 12 14.993 -45.139 21.776 1.00 -9.28 H ATOM 239 N VAL A 13 15.035 -41.825 23.047 1.00 -7.44 N ATOM 240 H VAL A 13 14.100 -41.637 23.402 1.00 -7.44 H ATOM 241 CA VAL A 13 15.680 -40.816 22.196 1.00 -7.44 C ATOM 242 HA VAL A 13 16.004 -41.291 21.271 1.00 -7.44 H ATOM 243 C VAL A 13 16.929 -40.272 22.895 1.00 -7.44 C ATOM 244 O VAL A 13 17.967 -40.075 22.260 1.00 -7.44 O ATOM 245 CB VAL A 13 14.686 -39.662 21.837 1.00 -7.44 C ATOM 246 HB VAL A 13 14.285 -39.247 22.759 1.00 -7.44 H ATOM 247 CG1 VAL A 13 15.366 -38.523 21.056 1.00 -7.44 C ATOM 248 1HG1 VAL A 13 14.631 -37.757 20.807 1.00 -7.44 H ATOM 249 2HG1 VAL A 13 15.812 -38.906 20.137 1.00 -7.44 H ATOM 250 3HG1 VAL A 13 16.142 -38.062 21.667 1.00 -7.44 H ATOM 251 CG2 VAL A 13 13.518 -40.199 20.989 1.00 -7.44 C ATOM 252 1HG2 VAL A 13 12.803 -39.399 20.796 1.00 -7.44 H ATOM 253 2HG2 VAL A 13 13.001 -40.999 21.511 1.00 -7.44 H ATOM 254 3HG2 VAL A 13 13.890 -40.586 20.039 1.00 -7.44 H ATOM 255 N VAL A 14 16.885 -40.080 24.206 1.00 5.36 N ATOM 256 H VAL A 14 16.013 -40.213 24.711 1.00 5.36 H ATOM 257 CA VAL A 14 18.090 -39.665 24.926 1.00 5.36 C ATOM 258 HA VAL A 14 18.494 -38.795 24.419 1.00 5.36 H ATOM 259 C VAL A 14 19.153 -40.762 24.854 1.00 5.36 C ATOM 260 O VAL A 14 20.287 -40.487 24.487 1.00 5.36 O ATOM 261 CB VAL A 14 17.796 -39.272 26.405 1.00 5.36 C ATOM 262 HB VAL A 14 17.307 -40.109 26.900 1.00 5.36 H ATOM 263 CG1 VAL A 14 19.085 -38.939 27.179 1.00 5.36 C ATOM 264 1HG1 VAL A 14 18.842 -38.626 28.194 1.00 5.36 H ATOM 265 2HG1 VAL A 14 19.636 -38.137 26.682 1.00 5.36 H ATOM 266 3HG1 VAL A 14 19.729 -39.818 27.239 1.00 5.36 H ATOM 267 CG2 VAL A 14 16.859 -38.053 26.458 1.00 5.36 C ATOM 268 1HG2 VAL A 14 16.630 -37.811 27.496 1.00 5.36 H ATOM 269 2HG2 VAL A 14 15.927 -38.263 25.940 1.00 5.36 H ATOM 270 3HG2 VAL A 14 17.339 -37.191 25.991 1.00 5.36 H ATOM 271 N ALA A 15 18.797 -42.007 25.135 1.00 8.99 N ATOM 272 H ALA A 15 17.836 -42.212 25.393 1.00 8.99 H ATOM 273 CA ALA A 15 19.771 -43.096 25.139 1.00 8.99 C ATOM 274 HA ALA A 15 20.587 -42.816 25.805 1.00 8.99 H ATOM 275 C ALA A 15 20.383 -43.358 23.759 1.00 8.99 C ATOM 276 O ALA A 15 21.536 -43.757 23.652 1.00 8.99 O ATOM 277 CB ALA A 15 19.110 -44.367 25.684 1.00 8.99 C ATOM 278 1HB ALA A 15 18.720 -44.181 26.685 1.00 8.99 H ATOM 279 2HB ALA A 15 19.851 -45.167 25.731 1.00 8.99 H ATOM 280 3HB ALA A 15 18.294 -44.672 25.028 1.00 8.99 H ATOM 281 N GLY A 16 19.607 -43.145 22.708 1.00 11.72 N ATOM 282 H GLY A 16 18.640 -42.865 22.840 1.00 11.72 H ATOM 283 CA GLY A 16 20.107 -43.356 21.362 1.00 11.72 C ATOM 284 1HA GLY A 16 20.723 -44.255 21.348 1.00 11.72 H ATOM 285 2HA GLY A 16 19.255 -43.510 20.700 1.00 11.72 H ATOM 286 C GLY A 16 20.930 -42.211 20.809 1.00 11.72 C ATOM 287 O GLY A 16 21.866 -42.451 20.051 1.00 11.72 O ATOM 288 N TYR A 17 20.572 -40.975 21.138 1.00 -3.64 N ATOM 289 H TYR A 17 19.813 -40.829 21.794 1.00 -3.64 H ATOM 290 CA TYR A 17 21.129 -39.812 20.438 1.00 -3.64 C ATOM 291 HA TYR A 17 21.964 -40.148 19.827 1.00 -3.64 H ATOM 292 C TYR A 17 21.642 -38.644 21.281 1.00 -3.64 C ATOM 293 O TYR A 17 22.092 -37.653 20.723 1.00 -3.64 O ATOM 294 CB TYR A 17 20.053 -39.271 19.487 1.00 -3.64 C ATOM 295 1HB TYR A 17 19.285 -38.773 20.077 1.00 -3.64 H ATOM 296 2HB TYR A 17 20.504 -38.537 18.819 1.00 -3.64 H ATOM 297 CG TYR A 17 19.387 -40.349 18.657 1.00 -3.64 C ATOM 298 CD1 TYR A 17 18.084 -40.796 18.967 1.00 -3.64 C ATOM 299 HD1 TYR A 17 17.549 -40.345 19.787 1.00 -3.64 H ATOM 300 CD2 TYR A 17 20.064 -40.954 17.579 1.00 -3.64 C ATOM 301 HD2 TYR A 17 21.066 -40.634 17.328 1.00 -3.64 H ATOM 302 CE1 TYR A 17 17.474 -41.840 18.225 1.00 -3.64 C ATOM 303 HE1 TYR A 17 16.483 -42.184 18.476 1.00 -3.64 H ATOM 304 CE2 TYR A 17 19.455 -41.999 16.831 1.00 -3.64 C ATOM 305 HE2 TYR A 17 19.989 -42.462 16.016 1.00 -3.64 H ATOM 306 CZ TYR A 17 18.169 -42.433 17.168 1.00 -3.64 C ATOM 307 OH TYR A 17 17.578 -43.444 16.454 1.00 -3.64 O ATOM 308 HH TYR A 17 18.145 -43.780 15.758 1.00 -3.64 H ATOM 309 N ASN A 18 21.534 -38.716 22.602 1.00 11.04 N ATOM 310 H ASN A 18 21.167 -39.557 23.043 1.00 11.04 H ATOM 311 CA ASN A 18 21.898 -37.591 23.477 1.00 11.04 C ATOM 312 HA ASN A 18 22.635 -36.958 22.979 1.00 11.04 H ATOM 313 C ASN A 18 22.503 -38.134 24.773 1.00 11.04 C ATOM 314 O ASN A 18 22.294 -37.580 25.852 1.00 11.04 O ATOM 315 CB ASN A 18 20.661 -36.751 23.845 1.00 11.04 C ATOM 316 1HB ASN A 18 19.959 -37.380 24.378 1.00 11.04 H ATOM 317 2HB ASN A 18 20.965 -35.939 24.504 1.00 11.04 H ATOM 318 CG ASN A 18 19.967 -36.146 22.653 1.00 11.04 C ATOM 319 OD1 ASN A 18 20.251 -35.033 22.250 1.00 11.04 O ATOM 320 ND2 ASN A 18 18.987 -36.836 22.128 1.00 11.04 N ATOM 321 1HD2 ASN A 18 18.485 -36.429 21.361 1.00 11.04 H ATOM 322 2HD2 ASN A 18 18.778 -37.761 22.466 1.00 11.04 H ATOM 323 N LEU A 19 23.143 -39.290 24.683 1.00 2.39 N ATOM 324 H LEU A 19 23.282 -39.709 23.779 1.00 2.39 H ATOM 325 CA LEU A 19 23.616 -39.996 25.875 1.00 2.39 C ATOM 326 HA LEU A 19 22.927 -39.804 26.695 1.00 2.39 H ATOM 327 C LEU A 19 25.004 -39.532 26.304 1.00 2.39 C ATOM 328 O LEU A 19 25.332 -39.522 27.493 1.00 2.39 O ATOM 329 CB LEU A 19 23.636 -41.503 25.588 1.00 2.39 C ATOM 330 1HB LEU A 19 22.664 -41.771 25.180 1.00 2.39 H ATOM 331 2HB LEU A 19 24.381 -41.687 24.814 1.00 2.39 H ATOM 332 CG LEU A 19 23.931 -42.456 26.760 1.00 2.39 C ATOM 333 HG LEU A 19 24.927 -42.240 27.138 1.00 2.39 H ATOM 334 CD1 LEU A 19 22.940 -42.312 27.921 1.00 2.39 C ATOM 335 1HD1 LEU A 19 23.161 -43.054 28.687 1.00 2.39 H ATOM 336 2HD1 LEU A 19 21.920 -42.444 27.565 1.00 2.39 H ATOM 337 3HD1 LEU A 19 23.047 -41.321 28.365 1.00 2.39 H ATOM 338 CD2 LEU A 19 23.914 -43.900 26.264 1.00 2.39 C ATOM 339 1HD2 LEU A 19 24.200 -44.571 27.072 1.00 2.39 H ATOM 340 2HD2 LEU A 19 24.629 -44.012 25.448 1.00 2.39 H ATOM 341 3HD2 LEU A 19 22.920 -44.164 25.900 1.00 2.39 H ATOM 342 N TYR A 20 25.797 -39.140 25.318 1.00-20.71 N ATOM 343 H TYR A 20 25.435 -39.042 24.377 1.00-20.71 H ATOM 344 CA TYR A 20 27.179 -38.708 25.473 1.00-20.71 C ATOM 345 HA TYR A 20 27.350 -38.274 26.457 1.00-20.71 H ATOM 346 C TYR A 20 27.273 -37.651 24.386 1.00-20.71 C ATOM 347 O TYR A 20 28.223 -36.845 24.345 1.00-20.71 O ATOM 348 OXT TYR A 20 26.341 -37.704 23.544 1.00-20.71 O ATOM 349 CB TYR A 20 28.168 -39.840 25.169 1.00-20.71 C ATOM 350 1HB TYR A 20 28.057 -40.116 24.121 1.00-20.71 H ATOM 351 2HB TYR A 20 29.180 -39.461 25.313 1.00-20.71 H ATOM 352 CG TYR A 20 27.985 -41.087 26.010 1.00-20.71 C ATOM 353 CD1 TYR A 20 27.678 -42.323 25.402 1.00-20.71 C ATOM 354 HD1 TYR A 20 27.564 -42.376 24.329 1.00-20.71 H ATOM 355 CD2 TYR A 20 28.114 -41.044 27.413 1.00-20.71 C ATOM 356 HD2 TYR A 20 28.333 -40.102 27.897 1.00-20.71 H ATOM 357 CE1 TYR A 20 27.507 -43.498 26.185 1.00-20.71 C ATOM 358 HE1 TYR A 20 27.276 -44.440 25.714 1.00-20.71 H ATOM 359 CE2 TYR A 20 27.928 -42.213 28.201 1.00-20.71 C ATOM 360 HE2 TYR A 20 28.011 -42.158 29.274 1.00-20.71 H ATOM 361 CZ TYR A 20 27.625 -43.426 27.574 1.00-20.71 C ATOM 362 OH TYR A 20 27.434 -44.554 28.330 1.00-20.71 O ATOM 363 HH TYR A 20 27.508 -44.377 29.269 1.00-20.71 H TER 364 TYR A 20 END
SEQUENCE	RIKRFWPVVIRTVVAGYNLY
HELICITY	65.00	INSTAB. INDEX	26.94	FLEXIBILITY	8.18
a HYD. MOM.	56.62	b HYD. MOM.	20.32	c HYD. MOM	6.38
a MEAN HYD. MOM.	2.83	b MEAN HYD. MOM.	1.02	c MEAN HYD. MOM.	0.32
CHARGE pH5	4.00	CHARGE pH7	4.00	CHARGE pH9	3.62
Δ CHARGE pH5-pH9	0.39	ISOELECTRIC POINT	11.00	BOMAN INDEX	1.04
ΔG	0,57	CPP	-0,23	MLP	-1,79
MOLECULAR VOLUME		POLARITY
MIC E. coli	50	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans	38	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