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ID	1181	NAME	LR5   Blast NCBI-PROT
LENGTH	22	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\RIKRFWPVVIRTVVAGYNLYRA.pdb REMARK YASARA Written on: Wed May 14 12:44:56 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 397 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 22 ARG ILE LYS ARG PHE TRP PRO VAL VAL ILE ARG THR VAL SEQRES 2 A 22 VAL ALA GLY TYR ASN LEU TYR ARG ALA 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 9.559 -26.584 15.951 1.00-25.46 N ATOM 2 1H ARG A 1 8.679 -26.320 15.531 1.00-25.46 H ATOM 3 2H ARG A 1 10.015 -27.275 15.370 1.00-25.46 H ATOM 4 3H ARG A 1 10.155 -25.771 16.022 1.00-25.46 H ATOM 5 CA ARG A 1 9.321 -27.160 17.309 1.00-25.46 C ATOM 6 HA ARG A 1 8.867 -26.407 17.952 1.00-25.46 H ATOM 7 C ARG A 1 10.642 -27.592 17.918 1.00-25.46 C ATOM 8 O ARG A 1 11.398 -28.288 17.254 1.00-25.46 O ATOM 9 CB ARG A 1 8.385 -28.377 17.197 1.00-25.46 C ATOM 10 1HB ARG A 1 7.433 -28.039 16.789 1.00-25.46 H ATOM 11 2HB ARG A 1 8.824 -29.084 16.493 1.00-25.46 H ATOM 12 CG ARG A 1 8.118 -29.128 18.509 1.00-25.46 C ATOM 13 1HG ARG A 1 9.057 -29.521 18.889 1.00-25.46 H ATOM 14 2HG ARG A 1 7.692 -28.441 19.241 1.00-25.46 H ATOM 15 CD ARG A 1 7.165 -30.297 18.302 1.00-25.46 C ATOM 16 1HD ARG A 1 6.198 -29.910 17.977 1.00-25.46 H ATOM 17 2HD ARG A 1 7.565 -30.950 17.525 1.00-25.46 H ATOM 18 NE ARG A 1 6.986 -31.080 19.536 1.00-25.46 N ATOM 19 HE ARG A 1 7.503 -30.772 20.344 1.00-25.46 H ATOM 20 CZ ARG A 1 6.213 -32.150 19.680 1.00-25.46 C ATOM 21 NH1 ARG A 1 6.164 -32.740 20.841 1.00-25.46 N ATOM 22 1HH1 ARG A 1 6.714 -32.402 21.612 1.00-25.46 H ATOM 23 2HH1 ARG A 1 5.571 -33.543 20.973 1.00-25.46 H ATOM 24 NH2 ARG A 1 5.481 -32.651 18.718 1.00-25.46 N ATOM 25 1HH2 ARG A 1 5.490 -32.226 17.809 1.00-25.46 H ATOM 26 2HH2 ARG A 1 4.901 -33.455 18.889 1.00-25.46 H ATOM 27 N ILE A 2 10.930 -27.180 19.146 1.00-21.56 N ATOM 28 H ILE A 2 10.299 -26.584 19.658 1.00-21.56 H ATOM 29 CA ILE A 2 12.138 -27.625 19.842 1.00-21.56 C ATOM 30 HA ILE A 2 13.000 -27.541 19.180 1.00-21.56 H ATOM 31 C ILE A 2 11.888 -29.093 20.181 1.00-21.56 C ATOM 32 O ILE A 2 10.816 -29.436 20.688 1.00-21.56 O ATOM 33 CB ILE A 2 12.396 -26.794 21.140 1.00-21.56 C ATOM 34 HB ILE A 2 11.536 -26.906 21.800 1.00-21.56 H ATOM 35 CG1 ILE A 2 12.546 -25.299 20.783 1.00-21.56 C ATOM 36 1HG1 ILE A 2 13.453 -25.174 20.190 1.00-21.56 H ATOM 37 2HG1 ILE A 2 11.703 -24.991 20.167 1.00-21.56 H ATOM 38 CG2 ILE A 2 13.660 -27.305 21.881 1.00-21.56 C ATOM 39 1HG2 ILE A 2 13.824 -26.732 22.792 1.00-21.56 H ATOM 40 2HG2 ILE A 2 14.543 -27.212 21.245 1.00-21.56 H ATOM 41 3HG2 ILE A 2 13.537 -28.350 22.168 1.00-21.56 H ATOM 42 CD1 ILE A 2 12.611 -24.328 21.976 1.00-21.56 C ATOM 43 1HD1 ILE A 2 12.607 -23.302 21.606 1.00-21.56 H ATOM 44 2HD1 ILE A 2 13.527 -24.486 22.545 1.00-21.56 H ATOM 45 3HD1 ILE A 2 11.747 -24.474 22.626 1.00-21.56 H ATOM 46 N LYS A 3 12.832 -29.967 19.860 1.00 -3.53 N ATOM 47 H LYS A 3 13.691 -29.645 19.442 1.00 -3.53 H ATOM 48 CA LYS A 3 12.677 -31.390 20.161 1.00 -3.53 C ATOM 49 HA LYS A 3 11.671 -31.711 19.892 1.00 -3.53 H ATOM 50 C LYS A 3 12.874 -31.595 21.655 1.00 -3.53 C ATOM 51 O LYS A 3 13.696 -30.925 22.272 1.00 -3.53 O ATOM 52 CB LYS A 3 13.709 -32.234 19.408 1.00 -3.53 C ATOM 53 1HB LYS A 3 14.708 -31.878 19.665 1.00 -3.53 H ATOM 54 2HB LYS A 3 13.615 -33.266 19.746 1.00 -3.53 H ATOM 55 CG LYS A 3 13.550 -32.210 17.893 1.00 -3.53 C ATOM 56 1HG LYS A 3 12.538 -32.524 17.636 1.00 -3.53 H ATOM 57 2HG LYS A 3 13.713 -31.196 17.527 1.00 -3.53 H ATOM 58 CD LYS A 3 14.549 -33.150 17.226 1.00 -3.53 C ATOM 59 1HD LYS A 3 15.560 -32.857 17.515 1.00 -3.53 H ATOM 60 2HD LYS A 3 14.361 -34.168 17.570 1.00 -3.53 H ATOM 61 CE LYS A 3 14.422 -33.100 15.704 1.00 -3.53 C ATOM 62 1HE LYS A 3 13.395 -33.347 15.427 1.00 -3.53 H ATOM 63 2HE LYS A 3 14.639 -32.084 15.364 1.00 -3.53 H ATOM 64 NZ LYS A 3 15.363 -34.064 15.032 1.00 -3.53 N ATOM 65 1HZ LYS A 3 15.242 -34.021 14.028 1.00 -3.53 H ATOM 66 2HZ LYS A 3 15.172 -35.006 15.346 1.00 -3.53 H ATOM 67 3HZ LYS A 3 16.320 -33.826 15.259 1.00 -3.53 H ATOM 68 N ARG A 4 12.135 -32.537 22.218 1.00 9.40 N ATOM 69 H ARG A 4 11.461 -33.056 21.667 1.00 9.40 H ATOM 70 CA ARG A 4 12.278 -32.955 23.608 1.00 9.40 C ATOM 71 HA ARG A 4 13.330 -32.962 23.899 1.00 9.40 H ATOM 72 C ARG A 4 11.731 -34.362 23.491 1.00 9.40 C ATOM 73 O ARG A 4 10.964 -34.608 22.558 1.00 9.40 O ATOM 74 CB ARG A 4 11.452 -32.061 24.542 1.00 9.40 C ATOM 75 1HB ARG A 4 11.737 -31.030 24.339 1.00 9.40 H ATOM 76 2HB ARG A 4 10.395 -32.176 24.298 1.00 9.40 H ATOM 77 CG ARG A 4 11.650 -32.338 26.034 1.00 9.40 C ATOM 78 1HG ARG A 4 11.227 -33.314 26.272 1.00 9.40 H ATOM 79 2HG ARG A 4 12.717 -32.353 26.257 1.00 9.40 H ATOM 80 CD ARG A 4 10.978 -31.281 26.909 1.00 9.40 C ATOM 81 1HD ARG A 4 9.924 -31.213 26.634 1.00 9.40 H ATOM 82 2HD ARG A 4 11.049 -31.593 27.952 1.00 9.40 H ATOM 83 NE ARG A 4 11.614 -29.960 26.758 1.00 9.40 N ATOM 84 HE ARG A 4 12.396 -29.916 26.123 1.00 9.40 H ATOM 85 CZ ARG A 4 11.264 -28.837 27.371 1.00 9.40 C ATOM 86 NH1 ARG A 4 11.946 -27.752 27.121 1.00 9.40 N ATOM 87 1HH1 ARG A 4 12.726 -27.779 26.487 1.00 9.40 H ATOM 88 2HH1 ARG A 4 11.699 -26.886 27.569 1.00 9.40 H ATOM 89 NH2 ARG A 4 10.269 -28.752 28.218 1.00 9.40 N ATOM 90 1HH2 ARG A 4 9.723 -29.572 28.424 1.00 9.40 H ATOM 91 2HH2 ARG A 4 10.052 -27.878 28.664 1.00 9.40 H ATOM 92 N PHE A 5 12.137 -35.262 24.367 1.00 17.01 N ATOM 93 H PHE A 5 12.730 -34.991 25.135 1.00 17.01 H ATOM 94 CA PHE A 5 11.761 -36.666 24.285 1.00 17.01 C ATOM 95 HA PHE A 5 10.922 -36.802 23.602 1.00 17.01 H ATOM 96 C PHE A 5 11.376 -37.076 25.698 1.00 17.01 C ATOM 97 O PHE A 5 11.495 -36.265 26.616 1.00 17.01 O ATOM 98 CB PHE A 5 12.958 -37.495 23.811 1.00 17.01 C ATOM 99 1HB PHE A 5 13.673 -37.569 24.628 1.00 17.01 H ATOM 100 2HB PHE A 5 12.612 -38.497 23.565 1.00 17.01 H ATOM 101 CG PHE A 5 13.673 -36.914 22.621 1.00 17.01 C ATOM 102 CD1 PHE A 5 14.965 -36.373 22.768 1.00 17.01 C ATOM 103 HD1 PHE A 5 15.455 -36.399 23.730 1.00 17.01 H ATOM 104 CD2 PHE A 5 13.066 -36.896 21.352 1.00 17.01 C ATOM 105 HD2 PHE A 5 12.077 -37.313 21.221 1.00 17.01 H ATOM 106 CE1 PHE A 5 15.644 -35.799 21.665 1.00 17.01 C ATOM 107 HE1 PHE A 5 16.635 -35.387 21.795 1.00 17.01 H ATOM 108 CE2 PHE A 5 13.732 -36.323 20.238 1.00 17.01 C ATOM 109 HE2 PHE A 5 13.254 -36.316 19.270 1.00 17.01 H ATOM 110 CZ PHE A 5 15.026 -35.775 20.397 1.00 17.01 C ATOM 111 HZ PHE A 5 15.543 -35.345 19.553 1.00 17.01 H ATOM 112 N TRP A 6 11.006 -38.333 25.897 1.00 7.93 N ATOM 113 H TRP A 6 10.874 -38.951 25.114 1.00 7.93 H ATOM 114 CA TRP A 6 10.865 -38.877 27.246 1.00 7.93 C ATOM 115 HA TRP A 6 10.121 -38.299 27.794 1.00 7.93 H ATOM 116 C TRP A 6 12.228 -38.765 27.929 1.00 7.93 C ATOM 117 O TRP A 6 13.253 -38.877 27.254 1.00 7.93 O ATOM 118 CB TRP A 6 10.444 -40.345 27.167 1.00 7.93 C ATOM 119 1HB TRP A 6 11.239 -40.918 26.693 1.00 7.93 H ATOM 120 2HB TRP A 6 10.293 -40.727 28.177 1.00 7.93 H ATOM 121 CG TRP A 6 9.187 -40.530 26.380 1.00 7.93 C ATOM 122 CD1 TRP A 6 9.059 -41.114 25.156 1.00 7.93 C ATOM 123 HD1 TRP A 6 9.882 -41.539 24.594 1.00 7.93 H ATOM 124 CD2 TRP A 6 7.856 -40.123 26.751 1.00 7.93 C ATOM 125 NE1 TRP A 6 7.761 -41.095 24.726 1.00 7.93 N ATOM 126 HE1 TRP A 6 7.438 -41.481 23.849 1.00 7.93 H ATOM 127 CE2 TRP A 6 6.990 -40.486 25.679 1.00 7.93 C ATOM 128 CE3 TRP A 6 7.305 -39.484 27.882 1.00 7.93 C ATOM 129 HE3 TRP A 6 7.931 -39.206 28.715 1.00 7.93 H ATOM 130 CZ2 TRP A 6 5.604 -40.225 25.707 1.00 7.93 C ATOM 131 HZ2 TRP A 6 4.968 -40.518 24.885 1.00 7.93 H ATOM 132 CZ3 TRP A 6 5.911 -39.216 27.913 1.00 7.93 C ATOM 133 HZ3 TRP A 6 5.475 -38.731 28.775 1.00 7.93 H ATOM 134 CH2 TRP A 6 5.078 -39.593 26.820 1.00 7.93 C ATOM 135 HH2 TRP A 6 4.018 -39.384 26.863 1.00 7.93 H ATOM 136 N PRO A 7 12.284 -38.597 29.262 1.00 17.54 N ATOM 137 CA PRO A 7 13.624 -38.329 29.805 1.00 17.54 C ATOM 138 HA PRO A 7 14.067 -37.488 29.275 1.00 17.54 H ATOM 139 C PRO A 7 14.611 -39.492 29.736 1.00 17.54 C ATOM 140 O PRO A 7 15.819 -39.273 29.746 1.00 17.54 O ATOM 141 CB PRO A 7 13.328 -37.913 31.248 1.00 17.54 C ATOM 142 1HB PRO A 7 14.148 -38.187 31.912 1.00 17.54 H ATOM 143 2HB PRO A 7 13.138 -36.841 31.297 1.00 17.54 H ATOM 144 CG PRO A 7 12.082 -38.655 31.584 1.00 17.54 C ATOM 145 1HG PRO A 7 12.312 -39.699 31.799 1.00 17.54 H ATOM 146 2HG PRO A 7 11.568 -38.193 32.428 1.00 17.54 H ATOM 147 CD PRO A 7 11.259 -38.539 30.323 1.00 17.54 C ATOM 148 1HD PRO A 7 10.558 -39.371 30.244 1.00 17.54 H ATOM 149 2HD PRO A 7 10.735 -37.582 30.291 1.00 17.54 H ATOM 150 N VAL A 8 14.127 -40.719 29.600 1.00-17.79 N ATOM 151 H VAL A 8 13.133 -40.875 29.638 1.00-17.79 H ATOM 152 CA VAL A 8 15.012 -41.863 29.374 1.00-17.79 C ATOM 153 HA VAL A 8 15.781 -41.880 30.146 1.00-17.79 H ATOM 154 C VAL A 8 15.693 -41.712 28.013 1.00-17.79 C ATOM 155 O VAL A 8 16.891 -41.934 27.867 1.00-17.79 O ATOM 156 CB VAL A 8 14.211 -43.196 29.429 1.00-17.79 C ATOM 157 HB VAL A 8 13.456 -43.177 28.642 1.00-17.79 H ATOM 158 CG1 VAL A 8 15.114 -44.415 29.207 1.00-17.79 C ATOM 159 1HG1 VAL A 8 14.523 -45.331 29.268 1.00-17.79 H ATOM 160 2HG1 VAL A 8 15.902 -44.450 29.962 1.00-17.79 H ATOM 161 3HG1 VAL A 8 15.573 -44.375 28.218 1.00-17.79 H ATOM 162 CG2 VAL A 8 13.487 -43.331 30.781 1.00-17.79 C ATOM 163 1HG2 VAL A 8 12.972 -44.294 30.824 1.00-17.79 H ATOM 164 2HG2 VAL A 8 12.741 -42.548 30.903 1.00-17.79 H ATOM 165 3HG2 VAL A 8 14.204 -43.281 31.601 1.00-17.79 H ATOM 166 N VAL A 9 14.939 -41.268 27.020 1.00 -9.87 N ATOM 167 H VAL A 9 13.973 -41.037 27.189 1.00 -9.87 H ATOM 168 CA VAL A 9 15.464 -41.075 25.672 1.00 -9.87 C ATOM 169 HA VAL A 9 16.042 -41.955 25.390 1.00 -9.87 H ATOM 170 C VAL A 9 16.403 -39.870 25.656 1.00 -9.87 C ATOM 171 O VAL A 9 17.443 -39.920 25.020 1.00 -9.87 O ATOM 172 CB VAL A 9 14.312 -40.906 24.649 1.00 -9.87 C ATOM 173 HB VAL A 9 13.736 -40.027 24.924 1.00 -9.87 H ATOM 174 CG1 VAL A 9 14.840 -40.723 23.217 1.00 -9.87 C ATOM 175 1HG1 VAL A 9 14.007 -40.647 22.518 1.00 -9.87 H ATOM 176 2HG1 VAL A 9 15.467 -41.571 22.934 1.00 -9.87 H ATOM 177 3HG1 VAL A 9 15.430 -39.808 23.147 1.00 -9.87 H ATOM 178 CG2 VAL A 9 13.368 -42.122 24.691 1.00 -9.87 C ATOM 179 1HG2 VAL A 9 12.582 -42.001 23.945 1.00 -9.87 H ATOM 180 2HG2 VAL A 9 12.902 -42.219 25.669 1.00 -9.87 H ATOM 181 3HG2 VAL A 9 13.926 -43.035 24.468 1.00 -9.87 H ATOM 182 N ILE A 10 16.122 -38.833 26.435 1.00 -5.96 N ATOM 183 H ILE A 10 15.251 -38.814 26.955 1.00 -5.96 H ATOM 184 CA ILE A 10 17.062 -37.709 26.548 1.00 -5.96 C ATOM 185 HA ILE A 10 17.270 -37.331 25.546 1.00 -5.96 H ATOM 186 C ILE A 10 18.383 -38.222 27.129 1.00 -5.96 C ATOM 187 O ILE A 10 19.453 -37.920 26.608 1.00 -5.96 O ATOM 188 CB ILE A 10 16.511 -36.532 27.420 1.00 -5.96 C ATOM 189 HB ILE A 10 16.279 -36.915 28.413 1.00 -5.96 H ATOM 190 CG1 ILE A 10 15.220 -35.961 26.796 1.00 -5.96 C ATOM 191 1HG1 ILE A 10 15.472 -35.502 25.841 1.00 -5.96 H ATOM 192 2HG1 ILE A 10 14.532 -36.777 26.603 1.00 -5.96 H ATOM 193 CG2 ILE A 10 17.571 -35.404 27.563 1.00 -5.96 C ATOM 194 1HG2 ILE A 10 17.199 -34.600 28.197 1.00 -5.96 H ATOM 195 2HG2 ILE A 10 17.827 -34.997 26.582 1.00 -5.96 H ATOM 196 3HG2 ILE A 10 18.480 -35.791 28.026 1.00 -5.96 H ATOM 197 CD1 ILE A 10 14.473 -34.919 27.650 1.00 -5.96 C ATOM 198 1HD1 ILE A 10 13.517 -34.690 27.184 1.00 -5.96 H ATOM 199 2HD1 ILE A 10 15.055 -34.001 27.722 1.00 -5.96 H ATOM 200 3HD1 ILE A 10 14.291 -35.315 28.649 1.00 -5.96 H ATOM 201 N ARG A 11 18.340 -39.058 28.159 1.00-15.12 N ATOM 202 H ARG A 11 17.445 -39.310 28.570 1.00-15.12 H ATOM 203 CA ARG A 11 19.580 -39.622 28.710 1.00-15.12 C ATOM 204 HA ARG A 11 20.275 -38.806 28.914 1.00-15.12 H ATOM 205 C ARG A 11 20.279 -40.549 27.724 1.00-15.12 C ATOM 206 O ARG A 11 21.500 -40.631 27.722 1.00-15.12 O ATOM 207 CB ARG A 11 19.311 -40.374 30.014 1.00-15.12 C ATOM 208 1HB ARG A 11 18.517 -41.101 29.845 1.00-15.12 H ATOM 209 2HB ARG A 11 20.217 -40.913 30.294 1.00-15.12 H ATOM 210 CG ARG A 11 18.925 -39.466 31.172 1.00-15.12 C ATOM 211 1HG ARG A 11 19.746 -38.776 31.372 1.00-15.12 H ATOM 212 2HG ARG A 11 18.039 -38.892 30.911 1.00-15.12 H ATOM 213 CD ARG A 11 18.640 -40.278 32.422 1.00-15.12 C ATOM 214 1HD ARG A 11 17.836 -40.984 32.207 1.00-15.12 H ATOM 215 2HD ARG A 11 19.539 -40.834 32.692 1.00-15.12 H ATOM 216 NE ARG A 11 18.245 -39.415 33.547 1.00-15.12 N ATOM 217 HE ARG A 11 18.196 -38.428 33.353 1.00-15.12 H ATOM 218 CZ ARG A 11 17.961 -39.811 34.781 1.00-15.12 C ATOM 219 NH1 ARG A 11 17.637 -38.913 35.671 1.00-15.12 N ATOM 220 1HH1 ARG A 11 17.614 -37.938 35.425 1.00-15.12 H ATOM 221 2HH1 ARG A 11 17.417 -39.193 36.612 1.00-15.12 H ATOM 222 NH2 ARG A 11 17.989 -41.064 35.165 1.00-15.12 N ATOM 223 1HH2 ARG A 11 18.243 -41.780 34.506 1.00-15.12 H ATOM 224 2HH2 ARG A 11 17.767 -41.310 36.115 1.00-15.12 H ATOM 225 N THR A 12 19.525 -41.201 26.856 1.00 -5.43 N ATOM 226 H THR A 12 18.518 -41.120 26.917 1.00 -5.43 H ATOM 227 CA THR A 12 20.107 -42.030 25.801 1.00 -5.43 C ATOM 228 HA THR A 12 20.816 -42.722 26.254 1.00 -5.43 H ATOM 229 C THR A 12 20.863 -41.154 24.799 1.00 -5.43 C ATOM 230 O THR A 12 21.971 -41.494 24.400 1.00 -5.43 O ATOM 231 CB THR A 12 19.015 -42.851 25.074 1.00 -5.43 C ATOM 232 HB THR A 12 18.353 -42.180 24.530 1.00 -5.43 H ATOM 233 OG1 THR A 12 18.251 -43.581 26.040 1.00 -5.43 O ATOM 234 HG1 THR A 12 17.870 -42.965 26.679 1.00 -5.43 H ATOM 235 CG2 THR A 12 19.593 -43.869 24.112 1.00 -5.43 C ATOM 236 1HG2 THR A 12 18.781 -44.454 23.682 1.00 -5.43 H ATOM 237 2HG2 THR A 12 20.270 -44.539 24.644 1.00 -5.43 H ATOM 238 3HG2 THR A 12 20.133 -43.365 23.310 1.00 -5.43 H ATOM 239 N VAL A 13 20.317 -40.000 24.437 1.00 -8.11 N ATOM 240 H VAL A 13 19.391 -39.751 24.776 1.00 -8.11 H ATOM 241 CA VAL A 13 21.015 -39.061 23.548 1.00 -8.11 C ATOM 242 HA VAL A 13 21.333 -39.595 22.654 1.00 -8.11 H ATOM 243 C VAL A 13 22.268 -38.532 24.246 1.00 -8.11 C ATOM 244 O VAL A 13 23.330 -38.440 23.638 1.00 -8.11 O ATOM 245 CB VAL A 13 20.083 -37.882 23.113 1.00 -8.11 C ATOM 246 HB VAL A 13 19.705 -37.386 24.005 1.00 -8.11 H ATOM 247 CG1 VAL A 13 20.825 -36.841 22.258 1.00 -8.11 C ATOM 248 1HG1 VAL A 13 20.137 -36.052 21.956 1.00 -8.11 H ATOM 249 2HG1 VAL A 13 21.250 -37.309 21.370 1.00 -8.11 H ATOM 250 3HG1 VAL A 13 21.627 -36.382 22.839 1.00 -8.11 H ATOM 251 CG2 VAL A 13 18.885 -38.409 22.299 1.00 -8.11 C ATOM 252 1HG2 VAL A 13 18.223 -37.582 22.043 1.00 -8.11 H ATOM 253 2HG2 VAL A 13 18.318 -39.133 22.876 1.00 -8.11 H ATOM 254 3HG2 VAL A 13 19.235 -38.887 21.383 1.00 -8.11 H ATOM 255 N VAL A 14 22.198 -38.250 25.538 1.00 3.79 N ATOM 256 H VAL A 14 21.306 -38.316 26.021 1.00 3.79 H ATOM 257 CA VAL A 14 23.388 -37.817 26.276 1.00 3.79 C ATOM 258 HA VAL A 14 23.823 -36.976 25.741 1.00 3.79 H ATOM 259 C VAL A 14 24.454 -38.921 26.305 1.00 3.79 C ATOM 260 O VAL A 14 25.626 -38.642 26.076 1.00 3.79 O ATOM 261 CB VAL A 14 23.010 -37.326 27.707 1.00 3.79 C ATOM 262 HB VAL A 14 22.454 -38.114 28.211 1.00 3.79 H ATOM 263 CG1 VAL A 14 24.243 -36.994 28.555 1.00 3.79 C ATOM 264 1HG1 VAL A 14 23.934 -36.572 29.512 1.00 3.79 H ATOM 265 2HG1 VAL A 14 24.882 -36.277 28.037 1.00 3.79 H ATOM 266 3HG1 VAL A 14 24.807 -37.904 28.753 1.00 3.79 H ATOM 267 CG2 VAL A 14 22.122 -36.070 27.621 1.00 3.79 C ATOM 268 1HG2 VAL A 14 21.816 -35.765 28.621 1.00 3.79 H ATOM 269 2HG2 VAL A 14 21.229 -36.270 27.034 1.00 3.79 H ATOM 270 3HG2 VAL A 14 22.671 -35.254 27.149 1.00 3.79 H ATOM 271 N ALA A 15 24.084 -40.174 26.523 1.00 6.32 N ATOM 272 H ALA A 15 23.109 -40.386 26.714 1.00 6.32 H ATOM 273 CA ALA A 15 25.064 -41.262 26.529 1.00 6.32 C ATOM 274 HA ALA A 15 25.894 -40.973 27.175 1.00 6.32 H ATOM 275 C ALA A 15 25.639 -41.549 25.132 1.00 6.32 C ATOM 276 O ALA A 15 26.834 -41.804 24.970 1.00 6.32 O ATOM 277 CB ALA A 15 24.408 -42.523 27.106 1.00 6.32 C ATOM 278 1HB ALA A 15 24.041 -42.319 28.113 1.00 6.32 H ATOM 279 2HB ALA A 15 25.142 -43.329 27.149 1.00 6.32 H ATOM 280 3HB ALA A 15 23.572 -42.832 26.476 1.00 6.32 H ATOM 281 N GLY A 16 24.784 -41.519 24.119 1.00 4.33 N ATOM 282 H GLY A 16 23.798 -41.333 24.297 1.00 4.33 H ATOM 283 CA GLY A 16 25.212 -41.788 22.756 1.00 4.33 C ATOM 284 1HA GLY A 16 25.783 -42.716 22.732 1.00 4.33 H ATOM 285 2HA GLY A 16 24.331 -41.893 22.123 1.00 4.33 H ATOM 286 C GLY A 16 26.070 -40.668 22.213 1.00 4.33 C ATOM 287 O GLY A 16 27.020 -40.894 21.460 1.00 4.33 O ATOM 288 N TYR A 17 25.756 -39.450 22.621 1.00 2.54 N ATOM 289 H TYR A 17 24.963 -39.324 23.244 1.00 2.54 H ATOM 290 CA TYR A 17 26.479 -38.262 22.192 1.00 2.54 C ATOM 291 HA TYR A 17 27.336 -38.562 21.596 1.00 2.54 H ATOM 292 C TYR A 17 27.006 -37.492 23.396 1.00 2.54 C ATOM 293 O TYR A 17 28.137 -37.720 23.818 1.00 2.54 O ATOM 294 CB TYR A 17 25.578 -37.389 21.307 1.00 2.54 C ATOM 295 1HB TYR A 17 24.730 -37.025 21.884 1.00 2.54 H ATOM 296 2HB TYR A 17 26.151 -36.532 20.955 1.00 2.54 H ATOM 297 CG TYR A 17 25.038 -38.142 20.113 1.00 2.54 C ATOM 298 CD1 TYR A 17 23.764 -38.747 20.159 1.00 2.54 C ATOM 299 HD1 TYR A 17 23.163 -38.662 21.053 1.00 2.54 H ATOM 300 CD2 TYR A 17 25.800 -38.268 18.934 1.00 2.54 C ATOM 301 HD2 TYR A 17 26.774 -37.801 18.873 1.00 2.54 H ATOM 302 CE1 TYR A 17 23.266 -39.483 19.053 1.00 2.54 C ATOM 303 HE1 TYR A 17 22.295 -39.950 19.100 1.00 2.54 H ATOM 304 CE2 TYR A 17 25.303 -39.003 17.822 1.00 2.54 C ATOM 305 HE2 TYR A 17 25.892 -39.092 16.922 1.00 2.54 H ATOM 306 CZ TYR A 17 24.040 -39.602 17.897 1.00 2.54 C ATOM 307 OH TYR A 17 23.544 -40.306 16.830 1.00 2.54 O ATOM 308 HH TYR A 17 24.148 -40.321 16.086 1.00 2.54 H ATOM 309 N ASN A 18 26.194 -36.611 23.963 1.00 19.97 N ATOM 310 H ASN A 18 25.196 -36.758 23.887 1.00 19.97 H ATOM 311 CA ASN A 18 26.677 -35.368 24.575 1.00 19.97 C ATOM 312 HA ASN A 18 27.241 -34.833 23.813 1.00 19.97 H ATOM 313 C ASN A 18 27.603 -35.472 25.782 1.00 19.97 C ATOM 314 O ASN A 18 28.356 -34.547 26.047 1.00 19.97 O ATOM 315 CB ASN A 18 25.480 -34.503 24.962 1.00 19.97 C ATOM 316 1HB ASN A 18 24.904 -35.017 25.727 1.00 19.97 H ATOM 317 2HB ASN A 18 25.839 -33.559 25.371 1.00 19.97 H ATOM 318 CG ASN A 18 24.578 -34.220 23.797 1.00 19.97 C ATOM 319 OD1 ASN A 18 23.443 -34.660 23.779 1.00 19.97 O ATOM 320 ND2 ASN A 18 25.070 -33.525 22.808 1.00 19.97 N ATOM 321 1HD2 ASN A 18 24.480 -33.325 22.021 1.00 19.97 H ATOM 322 2HD2 ASN A 18 26.028 -33.210 22.830 1.00 19.97 H ATOM 323 N LEU A 19 27.577 -36.588 26.494 1.00 -4.12 N ATOM 324 H LEU A 19 26.922 -37.326 26.240 1.00 -4.12 H ATOM 325 CA LEU A 19 28.489 -36.817 27.614 1.00 -4.12 C ATOM 326 HA LEU A 19 28.416 -35.987 28.316 1.00 -4.12 H ATOM 327 C LEU A 19 29.938 -36.920 27.133 1.00 -4.12 C ATOM 328 O LEU A 19 30.871 -36.564 27.844 1.00 -4.12 O ATOM 329 CB LEU A 19 28.069 -38.113 28.318 1.00 -4.12 C ATOM 330 1HB LEU A 19 27.017 -38.012 28.563 1.00 -4.12 H ATOM 331 2HB LEU A 19 28.153 -38.925 27.597 1.00 -4.12 H ATOM 332 CG LEU A 19 28.789 -38.558 29.600 1.00 -4.12 C ATOM 333 HG LEU A 19 29.818 -38.816 29.355 1.00 -4.12 H ATOM 334 CD1 LEU A 19 28.803 -37.478 30.682 1.00 -4.12 C ATOM 335 1HD1 LEU A 19 29.260 -37.872 31.589 1.00 -4.12 H ATOM 336 2HD1 LEU A 19 27.789 -37.144 30.901 1.00 -4.12 H ATOM 337 3HD1 LEU A 19 29.401 -36.630 30.342 1.00 -4.12 H ATOM 338 CD2 LEU A 19 28.088 -39.803 30.150 1.00 -4.12 C ATOM 339 1HD2 LEU A 19 28.637 -40.179 31.013 1.00 -4.12 H ATOM 340 2HD2 LEU A 19 28.065 -40.582 29.388 1.00 -4.12 H ATOM 341 3HD2 LEU A 19 27.067 -39.565 30.449 1.00 -4.12 H ATOM 342 N TYR A 20 30.109 -37.408 25.913 1.00 -9.40 N ATOM 343 H TYR A 20 29.288 -37.659 25.372 1.00 -9.40 H ATOM 344 CA TYR A 20 31.433 -37.646 25.335 1.00 -9.40 C ATOM 345 HA TYR A 20 32.203 -37.387 26.062 1.00 -9.40 H ATOM 346 C TYR A 20 31.710 -36.902 24.029 1.00 -9.40 C ATOM 347 O TYR A 20 32.854 -36.756 23.607 1.00 -9.40 O ATOM 348 CB TYR A 20 31.540 -39.134 25.007 1.00 -9.40 C ATOM 349 1HB TYR A 20 30.885 -39.336 24.163 1.00 -9.40 H ATOM 350 2HB TYR A 20 32.564 -39.357 24.710 1.00 -9.40 H ATOM 351 CG TYR A 20 31.132 -40.056 26.133 1.00 -9.40 C ATOM 352 CD1 TYR A 20 29.880 -40.706 26.110 1.00 -9.40 C ATOM 353 HD1 TYR A 20 29.179 -40.506 25.310 1.00 -9.40 H ATOM 354 CD2 TYR A 20 31.995 -40.297 27.220 1.00 -9.40 C ATOM 355 HD2 TYR A 20 32.949 -39.790 27.274 1.00 -9.40 H ATOM 356 CE1 TYR A 20 29.513 -41.615 27.133 1.00 -9.40 C ATOM 357 HE1 TYR A 20 28.558 -42.117 27.100 1.00 -9.40 H ATOM 358 CE2 TYR A 20 31.622 -41.195 28.258 1.00 -9.40 C ATOM 359 HE2 TYR A 20 32.288 -41.366 29.090 1.00 -9.40 H ATOM 360 CZ TYR A 20 30.389 -41.851 28.196 1.00 -9.40 C ATOM 361 OH TYR A 20 30.025 -42.726 29.186 1.00 -9.40 O ATOM 362 HH TYR A 20 30.687 -42.798 29.876 1.00 -9.40 H ATOM 363 N ARG A 21 30.639 -36.571 23.323 1.00 -0.36 N ATOM 364 H ARG A 21 29.722 -36.713 23.736 1.00 -0.36 H ATOM 365 CA ARG A 21 30.661 -36.104 21.934 1.00 -0.36 C ATOM 366 HA ARG A 21 31.638 -35.694 21.673 1.00 -0.36 H ATOM 367 C ARG A 21 29.595 -35.025 21.801 1.00 -0.36 C ATOM 368 O ARG A 21 28.408 -35.346 21.758 1.00 -0.36 O ATOM 369 CB ARG A 21 30.303 -37.278 21.009 1.00 -0.36 C ATOM 370 1HB ARG A 21 29.389 -37.728 21.387 1.00 -0.36 H ATOM 371 2HB ARG A 21 30.103 -36.894 20.008 1.00 -0.36 H ATOM 372 CG ARG A 21 31.371 -38.365 20.907 1.00 -0.36 C ATOM 373 1HG ARG A 21 32.196 -37.985 20.305 1.00 -0.36 H ATOM 374 2HG ARG A 21 31.749 -38.604 21.897 1.00 -0.36 H ATOM 375 CD ARG A 21 30.837 -39.658 20.284 1.00 -0.36 C ATOM 376 1HD ARG A 21 30.301 -39.413 19.366 1.00 -0.36 H ATOM 377 2HD ARG A 21 31.682 -40.297 20.029 1.00 -0.36 H ATOM 378 NE ARG A 21 29.939 -40.396 21.194 1.00 -0.36 N ATOM 379 HE ARG A 21 28.940 -40.264 21.067 1.00 -0.36 H ATOM 380 CZ ARG A 21 30.298 -41.231 22.162 1.00 -0.36 C ATOM 381 NH1 ARG A 21 29.369 -41.777 22.888 1.00 -0.36 N ATOM 382 1HH1 ARG A 21 28.395 -41.580 22.677 1.00 -0.36 H ATOM 383 2HH1 ARG A 21 29.593 -42.375 23.662 1.00 -0.36 H ATOM 384 NH2 ARG A 21 31.540 -41.537 22.445 1.00 -0.36 N ATOM 385 1HH2 ARG A 21 32.284 -41.119 21.915 1.00 -0.36 H ATOM 386 2HH2 ARG A 21 31.743 -42.170 23.198 1.00 -0.36 H ATOM 387 N ALA A 22 29.997 -33.768 21.762 1.00 5.97 N ATOM 388 H ALA A 22 30.984 -33.531 21.731 1.00 5.97 H ATOM 389 CA ALA A 22 29.096 -32.629 21.660 1.00 5.97 C ATOM 390 HA ALA A 22 28.181 -32.892 21.130 1.00 5.97 H ATOM 391 C ALA A 22 29.940 -31.686 20.813 1.00 5.97 C ATOM 392 O ALA A 22 29.440 -30.672 20.295 1.00 5.97 O ATOM 393 OXT ALA A 22 31.142 -32.028 20.712 1.00 5.97 O ATOM 394 CB ALA A 22 28.800 -32.036 23.053 1.00 5.97 C ATOM 395 1HB ALA A 22 28.319 -32.780 23.685 1.00 5.97 H ATOM 396 2HB ALA A 22 28.154 -31.165 22.941 1.00 5.97 H ATOM 397 3HB ALA A 22 29.737 -31.723 23.518 1.00 5.97 H TER 398 ALA A 22 END
SEQUENCE	RIKRFWPVVIRTVVAGYNLYRA
HELICITY	59.10	INSTAB. INDEX	17.71	FLEXIBILITY	8.46
a HYD. MOM.	59.22	b HYD. MOM.	20.99	c HYD. MOM	6.47
a MEAN HYD. MOM.	2.69	b MEAN HYD. MOM.	0.95	c MEAN HYD. MOM.	0.29
CHARGE pH5	5.00	CHARGE pH7	5.00	CHARGE pH9	4.62
Δ CHARGE pH5-pH9	0.39	ISOELECTRIC POINT	11.57	BOMAN INDEX	1.54
ΔG	3	CPP	-0,25	MLP	-1,69
MOLECULAR VOLUME		POLARITY
MIC E. coli	1	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	23	MIC M. luteus		MIC B. subtilis
MIC C. albicans	1	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