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ID	1512	NAME	RL1   Blast NCBI-PROT
LENGTH	25	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\IKRFWPVVIRTVVAGYNLYRAIKKK.pdb REMARK YASARA Written on: Wed May 14 13:25:02 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 458 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 25 ILE LYS ARG PHE TRP PRO VAL VAL ILE ARG THR VAL VAL SEQRES 2 A 25 ALA GLY TYR ASN LEU TYR ARG ALA ILE LYS LYS 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 ILE A 1 21.278 -14.026 23.137 1.00-33.27 N ATOM 2 1H ILE A 1 20.793 -14.506 22.393 1.00-33.27 H ATOM 3 2H ILE A 1 22.108 -14.545 23.392 1.00-33.27 H ATOM 4 3H ILE A 1 21.558 -13.106 22.825 1.00-33.27 H ATOM 5 CA ILE A 1 20.389 -13.902 24.331 1.00-33.27 C ATOM 6 HA ILE A 1 19.523 -13.300 24.062 1.00-33.27 H ATOM 7 C ILE A 1 21.138 -13.177 25.433 1.00-33.27 C ATOM 8 O ILE A 1 22.350 -13.110 25.342 1.00-33.27 O ATOM 9 CB ILE A 1 19.886 -15.305 24.793 1.00-33.27 C ATOM 10 HB ILE A 1 19.328 -15.175 25.721 1.00-33.27 H ATOM 11 CG1 ILE A 1 21.067 -16.261 25.070 1.00-33.27 C ATOM 12 1HG1 ILE A 1 21.596 -16.457 24.137 1.00-33.27 H ATOM 13 2HG1 ILE A 1 21.760 -15.776 25.757 1.00-33.27 H ATOM 14 CG2 ILE A 1 18.912 -15.892 23.733 1.00-33.27 C ATOM 15 1HG2 ILE A 1 18.411 -16.774 24.143 1.00-33.27 H ATOM 16 2HG2 ILE A 1 19.440 -16.195 22.827 1.00-33.27 H ATOM 17 3HG2 ILE A 1 18.133 -15.169 23.479 1.00-33.27 H ATOM 18 CD1 ILE A 1 20.680 -17.612 25.673 1.00-33.27 C ATOM 19 1HD1 ILE A 1 21.586 -18.165 25.907 1.00-33.27 H ATOM 20 2HD1 ILE A 1 20.093 -18.198 24.966 1.00-33.27 H ATOM 21 3HD1 ILE A 1 20.109 -17.466 26.592 1.00-33.27 H ATOM 22 N LYS A 2 20.461 -12.573 26.407 1.00-12.89 N ATOM 23 H LYS A 2 19.459 -12.675 26.476 1.00-12.89 H ATOM 24 CA LYS A 2 21.149 -11.703 27.377 1.00-12.89 C ATOM 25 HA LYS A 2 21.752 -10.977 26.826 1.00-12.89 H ATOM 26 C LYS A 2 22.115 -12.415 28.318 1.00-12.89 C ATOM 27 O LYS A 2 23.113 -11.841 28.717 1.00-12.89 O ATOM 28 CB LYS A 2 20.146 -10.933 28.245 1.00-12.89 C ATOM 29 1HB LYS A 2 19.467 -11.639 28.723 1.00-12.89 H ATOM 30 2HB LYS A 2 20.713 -10.425 29.026 1.00-12.89 H ATOM 31 CG LYS A 2 19.337 -9.875 27.498 1.00-12.89 C ATOM 32 1HG LYS A 2 20.024 -9.221 26.961 1.00-12.89 H ATOM 33 2HG LYS A 2 18.667 -10.356 26.785 1.00-12.89 H ATOM 34 CD LYS A 2 18.523 -9.029 28.479 1.00-12.89 C ATOM 35 1HD LYS A 2 17.840 -9.676 29.031 1.00-12.89 H ATOM 36 2HD LYS A 2 19.209 -8.556 29.185 1.00-12.89 H ATOM 37 CE LYS A 2 17.726 -7.939 27.760 1.00-12.89 C ATOM 38 1HE LYS A 2 18.416 -7.330 27.170 1.00-12.89 H ATOM 39 2HE LYS A 2 17.012 -8.410 27.080 1.00-12.89 H ATOM 40 NZ LYS A 2 16.986 -7.049 28.727 1.00-12.89 N ATOM 41 1HZ LYS A 2 16.473 -6.339 28.220 1.00-12.89 H ATOM 42 2HZ LYS A 2 17.643 -6.596 29.349 1.00-12.89 H ATOM 43 3HZ LYS A 2 16.336 -7.597 29.275 1.00-12.89 H ATOM 44 N ARG A 3 21.815 -13.652 28.682 1.00 4.92 N ATOM 45 H ARG A 3 20.989 -14.109 28.324 1.00 4.92 H ATOM 46 CA ARG A 3 22.665 -14.438 29.573 1.00 4.92 C ATOM 47 HA ARG A 3 23.714 -14.165 29.441 1.00 4.92 H ATOM 48 C ARG A 3 22.392 -15.855 29.118 1.00 4.92 C ATOM 49 O ARG A 3 21.295 -16.102 28.626 1.00 4.92 O ATOM 50 CB ARG A 3 22.220 -14.250 31.029 1.00 4.92 C ATOM 51 1HB ARG A 3 22.083 -13.185 31.220 1.00 4.92 H ATOM 52 2HB ARG A 3 21.249 -14.732 31.139 1.00 4.92 H ATOM 53 CG ARG A 3 23.181 -14.797 32.091 1.00 4.92 C ATOM 54 1HG ARG A 3 23.692 -15.680 31.715 1.00 4.92 H ATOM 55 2HG ARG A 3 23.924 -14.033 32.325 1.00 4.92 H ATOM 56 CD ARG A 3 22.421 -15.182 33.352 1.00 4.92 C ATOM 57 1HD ARG A 3 23.128 -15.343 34.166 1.00 4.92 H ATOM 58 2HD ARG A 3 21.742 -14.371 33.618 1.00 4.92 H ATOM 59 NE ARG A 3 21.665 -16.422 33.113 1.00 4.92 N ATOM 60 HE ARG A 3 22.011 -17.021 32.365 1.00 4.92 H ATOM 61 CZ ARG A 3 20.582 -16.835 33.755 1.00 4.92 C ATOM 62 NH1 ARG A 3 20.014 -17.936 33.349 1.00 4.92 N ATOM 63 1HH1 ARG A 3 20.400 -18.433 32.559 1.00 4.92 H ATOM 64 2HH1 ARG A 3 19.186 -18.281 33.807 1.00 4.92 H ATOM 65 NH2 ARG A 3 20.043 -16.198 34.764 1.00 4.92 N ATOM 66 1HH2 ARG A 3 20.459 -15.340 35.091 1.00 4.92 H ATOM 67 2HH2 ARG A 3 19.210 -16.553 35.207 1.00 4.92 H ATOM 68 N PHE A 4 23.346 -16.755 29.290 1.00 16.35 N ATOM 69 H PHE A 4 24.227 -16.462 29.678 1.00 16.35 H ATOM 70 CA PHE A 4 23.177 -18.170 28.969 1.00 16.35 C ATOM 71 HA PHE A 4 22.211 -18.315 28.487 1.00 16.35 H ATOM 72 C PHE A 4 23.199 -18.952 30.291 1.00 16.35 C ATOM 73 O PHE A 4 22.844 -18.393 31.335 1.00 16.35 O ATOM 74 CB PHE A 4 24.286 -18.597 27.999 1.00 16.35 C ATOM 75 1HB PHE A 4 24.675 -17.696 27.525 1.00 16.35 H ATOM 76 2HB PHE A 4 25.110 -19.050 28.544 1.00 16.35 H ATOM 77 CG PHE A 4 23.828 -19.521 26.891 1.00 16.35 C ATOM 78 CD1 PHE A 4 24.475 -19.458 25.645 1.00 16.35 C ATOM 79 HD1 PHE A 4 25.308 -18.783 25.504 1.00 16.35 H ATOM 80 CD2 PHE A 4 22.757 -20.431 27.054 1.00 16.35 C ATOM 81 HD2 PHE A 4 22.239 -20.521 27.995 1.00 16.35 H ATOM 82 CE1 PHE A 4 24.064 -20.276 24.565 1.00 16.35 C ATOM 83 HE1 PHE A 4 24.580 -20.223 23.617 1.00 16.35 H ATOM 84 CE2 PHE A 4 22.328 -21.245 25.977 1.00 16.35 C ATOM 85 HE2 PHE A 4 21.503 -21.931 26.111 1.00 16.35 H ATOM 86 CZ PHE A 4 22.986 -21.169 24.732 1.00 16.35 C ATOM 87 HZ PHE A 4 22.671 -21.799 23.912 1.00 16.35 H ATOM 88 N TRP A 5 23.612 -20.213 30.279 1.00 10.89 N ATOM 89 H TRP A 5 23.904 -20.632 29.403 1.00 10.89 H ATOM 90 CA TRP A 5 23.719 -21.032 31.489 1.00 10.89 C ATOM 91 HA TRP A 5 22.745 -21.059 31.971 1.00 10.89 H ATOM 92 C TRP A 5 24.764 -20.462 32.463 1.00 10.89 C ATOM 93 O TRP A 5 25.954 -20.434 32.153 1.00 10.89 O ATOM 94 CB TRP A 5 24.123 -22.469 31.127 1.00 10.89 C ATOM 95 1HB TRP A 5 25.047 -22.713 31.646 1.00 10.89 H ATOM 96 2HB TRP A 5 23.356 -23.145 31.504 1.00 10.89 H ATOM 97 CG TRP A 5 24.320 -22.756 29.648 1.00 10.89 C ATOM 98 CD1 TRP A 5 23.547 -23.564 28.873 1.00 10.89 C ATOM 99 HD1 TRP A 5 22.662 -24.081 29.225 1.00 10.89 H ATOM 100 CD2 TRP A 5 25.374 -22.291 28.773 1.00 10.89 C ATOM 101 NE1 TRP A 5 24.038 -23.662 27.601 1.00 10.89 N ATOM 102 HE1 TRP A 5 23.621 -24.216 26.865 1.00 10.89 H ATOM 103 CE2 TRP A 5 25.164 -22.894 27.501 1.00 10.89 C ATOM 104 CE3 TRP A 5 26.451 -21.392 28.922 1.00 10.89 C ATOM 105 HE3 TRP A 5 26.634 -20.914 29.867 1.00 10.89 H ATOM 106 CZ2 TRP A 5 26.008 -22.647 26.400 1.00 10.89 C ATOM 107 HZ2 TRP A 5 25.824 -23.116 25.445 1.00 10.89 H ATOM 108 CZ3 TRP A 5 27.302 -21.138 27.820 1.00 10.89 C ATOM 109 HZ3 TRP A 5 28.136 -20.458 27.928 1.00 10.89 H ATOM 110 CH2 TRP A 5 27.070 -21.777 26.569 1.00 10.89 C ATOM 111 HH2 TRP A 5 27.727 -21.572 25.735 1.00 10.89 H ATOM 112 N PRO A 6 24.361 -20.014 33.666 1.00 15.75 N ATOM 113 CA PRO A 6 25.370 -19.248 34.415 1.00 15.75 C ATOM 114 HA PRO A 6 25.816 -18.497 33.763 1.00 15.75 H ATOM 115 C PRO A 6 26.507 -20.057 35.048 1.00 15.75 C ATOM 116 O PRO A 6 27.549 -19.497 35.386 1.00 15.75 O ATOM 117 CB PRO A 6 24.524 -18.548 35.480 1.00 15.75 C ATOM 118 1HB PRO A 6 25.106 -18.354 36.379 1.00 15.75 H ATOM 119 2HB PRO A 6 24.114 -17.620 35.083 1.00 15.75 H ATOM 120 CG PRO A 6 23.425 -19.508 35.749 1.00 15.75 C ATOM 121 1HG PRO A 6 23.781 -20.319 36.385 1.00 15.75 H ATOM 122 2HG PRO A 6 22.573 -19.006 36.209 1.00 15.75 H ATOM 123 CD PRO A 6 23.068 -20.026 34.378 1.00 15.75 C ATOM 124 1HD PRO A 6 22.662 -21.037 34.443 1.00 15.75 H ATOM 125 2HD PRO A 6 22.363 -19.356 33.886 1.00 15.75 H ATOM 126 N VAL A 7 26.331 -21.362 35.204 1.00-13.19 N ATOM 127 H VAL A 7 25.446 -21.782 34.973 1.00-13.19 H ATOM 128 CA VAL A 7 27.399 -22.222 35.717 1.00-13.19 C ATOM 129 HA VAL A 7 27.903 -21.722 36.544 1.00-13.19 H ATOM 130 C VAL A 7 28.412 -22.476 34.604 1.00-13.19 C ATOM 131 O VAL A 7 29.620 -22.392 34.803 1.00-13.19 O ATOM 132 CB VAL A 7 26.820 -23.577 36.223 1.00-13.19 C ATOM 133 HB VAL A 7 26.337 -24.081 35.387 1.00-13.19 H ATOM 134 CG1 VAL A 7 27.921 -24.490 36.777 1.00-13.19 C ATOM 135 1HG1 VAL A 7 27.480 -25.418 37.149 1.00-13.19 H ATOM 136 2HG1 VAL A 7 28.452 -23.998 37.594 1.00-13.19 H ATOM 137 3HG1 VAL A 7 28.635 -24.747 35.992 1.00-13.19 H ATOM 138 CG2 VAL A 7 25.760 -23.331 37.311 1.00-13.19 C ATOM 139 1HG2 VAL A 7 25.398 -24.290 37.691 1.00-13.19 H ATOM 140 2HG2 VAL A 7 24.908 -22.788 36.909 1.00-13.19 H ATOM 141 3HG2 VAL A 7 26.192 -22.769 38.142 1.00-13.19 H ATOM 142 N VAL A 8 27.918 -22.739 33.405 1.00 -1.55 N ATOM 143 H VAL A 8 26.925 -22.758 33.260 1.00 -1.55 H ATOM 144 CA VAL A 8 28.787 -23.043 32.270 1.00 -1.55 C ATOM 145 HA VAL A 8 29.531 -23.773 32.588 1.00 -1.55 H ATOM 146 C VAL A 8 29.532 -21.781 31.837 1.00 -1.55 C ATOM 147 O VAL A 8 30.704 -21.855 31.495 1.00 -1.55 O ATOM 148 CB VAL A 8 27.971 -23.673 31.112 1.00 -1.55 C ATOM 149 HB VAL A 8 27.216 -22.961 30.816 1.00 -1.55 H ATOM 150 CG1 VAL A 8 28.846 -24.004 29.898 1.00 -1.55 C ATOM 151 1HG1 VAL A 8 28.236 -24.457 29.116 1.00 -1.55 H ATOM 152 2HG1 VAL A 8 29.643 -24.694 30.180 1.00 -1.55 H ATOM 153 3HG1 VAL A 8 29.288 -23.092 29.494 1.00 -1.55 H ATOM 154 CG2 VAL A 8 27.255 -24.951 31.590 1.00 -1.55 C ATOM 155 1HG2 VAL A 8 26.705 -25.393 30.757 1.00 -1.55 H ATOM 156 2HG2 VAL A 8 26.545 -24.727 32.382 1.00 -1.55 H ATOM 157 3HG2 VAL A 8 27.986 -25.677 31.954 1.00 -1.55 H ATOM 158 N ILE A 9 28.930 -20.605 31.975 1.00 1.65 N ATOM 159 H ILE A 9 27.953 -20.561 32.242 1.00 1.65 H ATOM 160 CA ILE A 9 29.673 -19.359 31.747 1.00 1.65 C ATOM 161 HA ILE A 9 30.084 -19.379 30.737 1.00 1.65 H ATOM 162 C ILE A 9 30.862 -19.284 32.706 1.00 1.65 C ATOM 163 O ILE A 9 31.978 -19.010 32.277 1.00 1.65 O ATOM 164 CB ILE A 9 28.769 -18.092 31.895 1.00 1.65 C ATOM 165 HB ILE A 9 28.226 -18.162 32.837 1.00 1.65 H ATOM 166 CG1 ILE A 9 27.762 -18.037 30.730 1.00 1.65 C ATOM 167 1HG1 ILE A 9 28.301 -17.764 29.822 1.00 1.65 H ATOM 168 2HG1 ILE A 9 27.347 -19.026 30.573 1.00 1.65 H ATOM 169 CG2 ILE A 9 29.611 -16.784 31.906 1.00 1.65 C ATOM 170 1HG2 ILE A 9 28.967 -15.908 31.975 1.00 1.65 H ATOM 171 2HG2 ILE A 9 30.208 -16.711 30.993 1.00 1.65 H ATOM 172 3HG2 ILE A 9 30.282 -16.767 32.765 1.00 1.65 H ATOM 173 CD1 ILE A 9 26.588 -17.067 30.909 1.00 1.65 C ATOM 174 1HD1 ILE A 9 25.985 -17.089 30.008 1.00 1.65 H ATOM 175 2HD1 ILE A 9 26.950 -16.049 31.056 1.00 1.65 H ATOM 176 3HD1 ILE A 9 25.982 -17.371 31.761 1.00 1.65 H ATOM 177 N ARG A 10 30.682 -19.592 33.985 1.00 -9.85 N ATOM 178 H ARG A 10 29.764 -19.862 34.315 1.00 -9.85 H ATOM 179 CA ARG A 10 31.813 -19.560 34.922 1.00 -9.85 C ATOM 180 HA ARG A 10 32.318 -18.597 34.841 1.00 -9.85 H ATOM 181 C ARG A 10 32.846 -20.628 34.597 1.00 -9.85 C ATOM 182 O ARG A 10 34.039 -20.412 34.778 1.00 -9.85 O ATOM 183 CB ARG A 10 31.337 -19.752 36.361 1.00 -9.85 C ATOM 184 1HB ARG A 10 30.683 -20.621 36.405 1.00 -9.85 H ATOM 185 2HB ARG A 10 32.206 -19.945 36.991 1.00 -9.85 H ATOM 186 CG ARG A 10 30.609 -18.547 36.924 1.00 -9.85 C ATOM 187 1HG ARG A 10 31.308 -17.714 36.998 1.00 -9.85 H ATOM 188 2HG ARG A 10 29.788 -18.267 36.265 1.00 -9.85 H ATOM 189 CD ARG A 10 30.059 -18.872 38.303 1.00 -9.85 C ATOM 190 1HD ARG A 10 29.313 -19.663 38.216 1.00 -9.85 H ATOM 191 2HD ARG A 10 30.879 -19.239 38.924 1.00 -9.85 H ATOM 192 NE ARG A 10 29.469 -17.696 38.960 1.00 -9.85 N ATOM 193 HE ARG A 10 30.067 -17.208 39.609 1.00 -9.85 H ATOM 194 CZ ARG A 10 28.235 -17.235 38.803 1.00 -9.85 C ATOM 195 NH1 ARG A 10 27.843 -16.242 39.552 1.00 -9.85 N ATOM 196 1HH1 ARG A 10 28.466 -15.850 40.240 1.00 -9.85 H ATOM 197 2HH1 ARG A 10 26.916 -15.863 39.451 1.00 -9.85 H ATOM 198 NH2 ARG A 10 27.381 -17.709 37.932 1.00 -9.85 N ATOM 199 1HH2 ARG A 10 27.674 -18.437 37.288 1.00 -9.85 H ATOM 200 2HH2 ARG A 10 26.449 -17.341 37.890 1.00 -9.85 H ATOM 201 N THR A 11 32.392 -21.752 34.072 1.00 -7.18 N ATOM 202 H THR A 11 31.395 -21.878 33.961 1.00 -7.18 H ATOM 203 CA THR A 11 33.291 -22.823 33.651 1.00 -7.18 C ATOM 204 HA THR A 11 33.934 -23.088 34.490 1.00 -7.18 H ATOM 205 C THR A 11 34.174 -22.344 32.499 1.00 -7.18 C ATOM 206 O THR A 11 35.375 -22.587 32.502 1.00 -7.18 O ATOM 207 CB THR A 11 32.488 -24.077 33.231 1.00 -7.18 C ATOM 208 HB THR A 11 31.920 -23.863 32.328 1.00 -7.18 H ATOM 209 OG1 THR A 11 31.583 -24.429 34.283 1.00 -7.18 O ATOM 210 HG1 THR A 11 30.977 -23.695 34.445 1.00 -7.18 H ATOM 211 CG2 THR A 11 33.375 -25.282 32.988 1.00 -7.18 C ATOM 212 1HG2 THR A 11 32.750 -26.141 32.749 1.00 -7.18 H ATOM 213 2HG2 THR A 11 33.953 -25.503 33.886 1.00 -7.18 H ATOM 214 3HG2 THR A 11 34.051 -25.091 32.155 1.00 -7.18 H ATOM 215 N VAL A 12 33.624 -21.608 31.543 1.00-11.86 N ATOM 216 H VAL A 12 32.619 -21.439 31.550 1.00-11.86 H ATOM 217 CA VAL A 12 34.425 -21.040 30.453 1.00-11.86 C ATOM 218 HA VAL A 12 35.058 -21.825 30.049 1.00-11.86 H ATOM 219 C VAL A 12 35.340 -19.925 30.976 1.00-11.86 C ATOM 220 O VAL A 12 36.512 -19.834 30.587 1.00-11.86 O ATOM 221 CB VAL A 12 33.510 -20.519 29.299 1.00-11.86 C ATOM 222 HB VAL A 12 32.823 -19.776 29.703 1.00-11.86 H ATOM 223 CG1 VAL A 12 34.322 -19.868 28.167 1.00-11.86 C ATOM 224 1HG1 VAL A 12 33.649 -19.546 27.371 1.00-11.86 H ATOM 225 2HG1 VAL A 12 35.040 -20.581 27.758 1.00-11.86 H ATOM 226 3HG1 VAL A 12 34.852 -18.993 28.538 1.00-11.86 H ATOM 227 CG2 VAL A 12 32.691 -21.677 28.698 1.00-11.86 C ATOM 228 1HG2 VAL A 12 32.034 -21.296 27.916 1.00-11.86 H ATOM 229 2HG2 VAL A 12 32.073 -22.148 29.458 1.00-11.86 H ATOM 230 3HG2 VAL A 12 33.357 -22.429 28.270 1.00-11.86 H ATOM 231 N VAL A 13 34.852 -19.097 31.889 1.00 -4.77 N ATOM 232 H VAL A 13 33.880 -19.186 32.182 1.00 -4.77 H ATOM 233 CA VAL A 13 35.681 -18.042 32.480 1.00 -4.77 C ATOM 234 HA VAL A 13 36.074 -17.430 31.676 1.00 -4.77 H ATOM 235 C VAL A 13 36.885 -18.650 33.195 1.00 -4.77 C ATOM 236 O VAL A 13 37.998 -18.186 32.986 1.00 -4.77 O ATOM 237 CB VAL A 13 34.867 -17.106 33.425 1.00 -4.77 C ATOM 238 HB VAL A 13 34.332 -17.718 34.148 1.00 -4.77 H ATOM 239 CG1 VAL A 13 35.772 -16.128 34.194 1.00 -4.77 C ATOM 240 1HG1 VAL A 13 35.161 -15.450 34.790 1.00 -4.77 H ATOM 241 2HG1 VAL A 13 36.380 -15.545 33.499 1.00 -4.77 H ATOM 242 3HG1 VAL A 13 36.429 -16.677 34.871 1.00 -4.77 H ATOM 243 CG2 VAL A 13 33.852 -16.283 32.611 1.00 -4.77 C ATOM 244 1HG2 VAL A 13 33.217 -15.711 33.289 1.00 -4.77 H ATOM 245 2HG2 VAL A 13 33.219 -16.932 32.013 1.00 -4.77 H ATOM 246 3HG2 VAL A 13 34.371 -15.592 31.945 1.00 -4.77 H ATOM 247 N ALA A 14 36.725 -19.710 33.969 1.00 7.36 N ATOM 248 H ALA A 14 35.792 -20.076 34.153 1.00 7.36 H ATOM 249 CA ALA A 14 37.888 -20.349 34.574 1.00 7.36 C ATOM 250 HA ALA A 14 38.521 -19.580 35.017 1.00 7.36 H ATOM 251 C ALA A 14 38.712 -21.093 33.510 1.00 7.36 C ATOM 252 O ALA A 14 39.867 -20.764 33.233 1.00 7.36 O ATOM 253 CB ALA A 14 37.430 -21.307 35.686 1.00 7.36 C ATOM 254 1HB ALA A 14 36.936 -20.738 36.476 1.00 7.36 H ATOM 255 2HB ALA A 14 38.295 -21.821 36.107 1.00 7.36 H ATOM 256 3HB ALA A 14 36.730 -22.045 35.292 1.00 7.36 H ATOM 257 N GLY A 15 38.083 -22.082 32.894 1.00 15.19 N ATOM 258 H GLY A 15 37.084 -22.209 33.052 1.00 15.19 H ATOM 259 CA GLY A 15 38.758 -23.055 32.054 1.00 15.19 C ATOM 260 1HA GLY A 15 39.509 -23.567 32.648 1.00 15.19 H ATOM 261 2HA GLY A 15 38.019 -23.797 31.754 1.00 15.19 H ATOM 262 C GLY A 15 39.427 -22.549 30.798 1.00 15.19 C ATOM 263 O GLY A 15 40.421 -23.129 30.358 1.00 15.19 O ATOM 264 N TYR A 16 38.894 -21.492 30.206 1.00 10.73 N ATOM 265 H TYR A 16 38.085 -21.042 30.627 1.00 10.73 H ATOM 266 CA TYR A 16 39.412 -20.967 28.944 1.00 10.73 C ATOM 267 HA TYR A 16 40.230 -21.590 28.598 1.00 10.73 H ATOM 268 C TYR A 16 39.959 -19.558 29.092 1.00 10.73 C ATOM 269 O TYR A 16 40.990 -19.238 28.508 1.00 10.73 O ATOM 270 CB TYR A 16 38.319 -20.982 27.873 1.00 10.73 C ATOM 271 1HB TYR A 16 37.452 -20.441 28.244 1.00 10.73 H ATOM 272 2HB TYR A 16 38.692 -20.460 26.992 1.00 10.73 H ATOM 273 CG TYR A 16 37.894 -22.375 27.454 1.00 10.73 C ATOM 274 CD1 TYR A 16 37.035 -23.154 28.261 1.00 10.73 C ATOM 275 HD1 TYR A 16 36.673 -22.761 29.198 1.00 10.73 H ATOM 276 CD2 TYR A 16 38.343 -22.921 26.234 1.00 10.73 C ATOM 277 HD2 TYR A 16 38.992 -22.341 25.593 1.00 10.73 H ATOM 278 CE1 TYR A 16 36.642 -24.457 27.861 1.00 10.73 C ATOM 279 HE1 TYR A 16 35.988 -25.049 28.487 1.00 10.73 H ATOM 280 CE2 TYR A 16 37.934 -24.219 25.821 1.00 10.73 C ATOM 281 HE2 TYR A 16 38.264 -24.616 24.873 1.00 10.73 H ATOM 282 CZ TYR A 16 37.090 -24.973 26.644 1.00 10.73 C ATOM 283 OH TYR A 16 36.700 -26.230 26.263 1.00 10.73 O ATOM 284 HH TYR A 16 36.965 -26.454 25.368 1.00 10.73 H ATOM 285 N ASN A 17 39.320 -18.709 29.881 1.00 26.91 N ATOM 286 H ASN A 17 38.489 -18.997 30.388 1.00 26.91 H ATOM 287 CA ASN A 17 39.820 -17.342 30.000 1.00 26.91 C ATOM 288 HA ASN A 17 40.270 -17.059 29.052 1.00 26.91 H ATOM 289 C ASN A 17 40.924 -17.255 31.045 1.00 26.91 C ATOM 290 O ASN A 17 42.070 -17.002 30.694 1.00 26.91 O ATOM 291 CB ASN A 17 38.692 -16.344 30.268 1.00 26.91 C ATOM 292 1HB ASN A 17 38.078 -16.684 31.089 1.00 26.91 H ATOM 293 2HB ASN A 17 39.131 -15.385 30.537 1.00 26.91 H ATOM 294 CG ASN A 17 37.831 -16.125 29.058 1.00 26.91 C ATOM 295 OD1 ASN A 17 38.226 -15.449 28.131 1.00 26.91 O ATOM 296 ND2 ASN A 17 36.662 -16.704 29.042 1.00 26.91 N ATOM 297 1HD2 ASN A 17 36.068 -16.547 28.245 1.00 26.91 H ATOM 298 2HD2 ASN A 17 36.375 -17.297 29.801 1.00 26.91 H ATOM 299 N LEU A 18 40.629 -17.515 32.308 1.00 15.15 N ATOM 300 H LEU A 18 39.677 -17.792 32.561 1.00 15.15 H ATOM 301 CA LEU A 18 41.620 -17.380 33.374 1.00 15.15 C ATOM 302 HA LEU A 18 41.997 -16.360 33.377 1.00 15.15 H ATOM 303 C LEU A 18 42.808 -18.305 33.174 1.00 15.15 C ATOM 304 O LEU A 18 43.960 -17.911 33.344 1.00 15.15 O ATOM 305 CB LEU A 18 40.955 -17.676 34.722 1.00 15.15 C ATOM 306 1HB LEU A 18 40.083 -17.029 34.814 1.00 15.15 H ATOM 307 2HB LEU A 18 40.602 -18.705 34.696 1.00 15.15 H ATOM 308 CG LEU A 18 41.802 -17.519 35.993 1.00 15.15 C ATOM 309 HG LEU A 18 42.664 -18.181 35.923 1.00 15.15 H ATOM 310 CD1 LEU A 18 42.308 -16.090 36.194 1.00 15.15 C ATOM 311 1HD1 LEU A 18 42.853 -16.022 37.137 1.00 15.15 H ATOM 312 2HD1 LEU A 18 41.470 -15.392 36.213 1.00 15.15 H ATOM 313 3HD1 LEU A 18 42.990 -15.820 35.387 1.00 15.15 H ATOM 314 CD2 LEU A 18 40.972 -17.949 37.198 1.00 15.15 C ATOM 315 1HD2 LEU A 18 41.579 -17.890 38.102 1.00 15.15 H ATOM 316 2HD2 LEU A 18 40.638 -18.979 37.070 1.00 15.15 H ATOM 317 3HD2 LEU A 18 40.102 -17.300 37.311 1.00 15.15 H ATOM 318 N TYR A 19 42.547 -19.541 32.782 1.00 6.89 N ATOM 319 H TYR A 19 41.582 -19.852 32.669 1.00 6.89 H ATOM 320 CA TYR A 19 43.638 -20.488 32.609 1.00 6.89 C ATOM 321 HA TYR A 19 44.356 -20.316 33.407 1.00 6.89 H ATOM 322 C TYR A 19 44.396 -20.327 31.291 1.00 6.89 C ATOM 323 O TYR A 19 45.492 -20.883 31.176 1.00 6.89 O ATOM 324 CB TYR A 19 43.136 -21.929 32.752 1.00 6.89 C ATOM 325 1HB TYR A 19 42.422 -22.122 31.953 1.00 6.89 H ATOM 326 2HB TYR A 19 43.981 -22.603 32.615 1.00 6.89 H ATOM 327 CG TYR A 19 42.468 -22.272 34.080 1.00 6.89 C ATOM 328 CD1 TYR A 19 41.642 -23.410 34.165 1.00 6.89 C ATOM 329 HD1 TYR A 19 41.537 -24.059 33.307 1.00 6.89 H ATOM 330 CD2 TYR A 19 42.625 -21.476 35.248 1.00 6.89 C ATOM 331 HD2 TYR A 19 43.273 -20.614 35.252 1.00 6.89 H ATOM 332 CE1 TYR A 19 40.931 -23.715 35.356 1.00 6.89 C ATOM 333 HE1 TYR A 19 40.283 -24.577 35.401 1.00 6.89 H ATOM 334 CE2 TYR A 19 41.914 -21.784 36.439 1.00 6.89 C ATOM 335 HE2 TYR A 19 42.025 -21.160 37.313 1.00 6.89 H ATOM 336 CZ TYR A 19 41.063 -22.891 36.472 1.00 6.89 C ATOM 337 OH TYR A 19 40.344 -23.182 37.603 1.00 6.89 O ATOM 338 HH TYR A 19 40.519 -22.574 38.323 1.00 6.89 H ATOM 339 N ARG A 20 43.863 -19.592 30.316 1.00 -4.04 N ATOM 340 H ARG A 20 42.988 -19.106 30.478 1.00 -4.04 H ATOM 341 CA ARG A 20 44.528 -19.439 29.009 1.00 -4.04 C ATOM 342 HA ARG A 20 45.581 -19.682 29.152 1.00 -4.04 H ATOM 343 C ARG A 20 44.509 -18.028 28.417 1.00 -4.04 C ATOM 344 O ARG A 20 45.562 -17.417 28.301 1.00 -4.04 O ATOM 345 CB ARG A 20 43.983 -20.430 27.959 1.00 -4.04 C ATOM 346 1HB ARG A 20 43.203 -19.946 27.378 1.00 -4.04 H ATOM 347 2HB ARG A 20 44.794 -20.674 27.273 1.00 -4.04 H ATOM 348 CG ARG A 20 43.392 -21.729 28.509 1.00 -4.04 C ATOM 349 1HG ARG A 20 44.144 -22.265 29.088 1.00 -4.04 H ATOM 350 2HG ARG A 20 42.555 -21.484 29.161 1.00 -4.04 H ATOM 351 CD ARG A 20 42.865 -22.635 27.416 1.00 -4.04 C ATOM 352 1HD ARG A 20 42.299 -22.039 26.698 1.00 -4.04 H ATOM 353 2HD ARG A 20 43.700 -23.123 26.912 1.00 -4.04 H ATOM 354 NE ARG A 20 41.967 -23.629 28.015 1.00 -4.04 N ATOM 355 HE ARG A 20 41.757 -23.513 29.005 1.00 -4.04 H ATOM 356 CZ ARG A 20 41.340 -24.617 27.397 1.00 -4.04 C ATOM 357 NH1 ARG A 20 40.446 -25.274 28.074 1.00 -4.04 N ATOM 358 1HH1 ARG A 20 40.246 -24.991 29.026 1.00 -4.04 H ATOM 359 2HH1 ARG A 20 39.949 -26.044 27.661 1.00 -4.04 H ATOM 360 NH2 ARG A 20 41.569 -24.965 26.157 1.00 -4.04 N ATOM 361 1HH2 ARG A 20 42.269 -24.472 25.629 1.00 -4.04 H ATOM 362 2HH2 ARG A 20 41.061 -25.728 25.743 1.00 -4.04 H ATOM 363 N ALA A 21 43.354 -17.505 28.031 1.00 12.49 N ATOM 364 H ALA A 21 42.495 -18.022 28.194 1.00 12.49 H ATOM 365 CA ALA A 21 43.282 -16.242 27.291 1.00 12.49 C ATOM 366 HA ALA A 21 43.948 -16.325 26.429 1.00 12.49 H ATOM 367 C ALA A 21 43.730 -15.000 28.070 1.00 12.49 C ATOM 368 O ALA A 21 44.305 -14.087 27.506 1.00 12.49 O ATOM 369 CB ALA A 21 41.857 -16.044 26.761 1.00 12.49 C ATOM 370 1HB ALA A 21 41.525 -16.939 26.235 1.00 12.49 H ATOM 371 2HB ALA A 21 41.847 -15.202 26.065 1.00 12.49 H ATOM 372 3HB ALA A 21 41.174 -15.824 27.579 1.00 12.49 H ATOM 373 N ILE A 22 43.490 -14.952 29.371 1.00 5.78 N ATOM 374 H ILE A 22 42.992 -15.719 29.820 1.00 5.78 H ATOM 375 CA ILE A 22 43.911 -13.803 30.176 1.00 5.78 C ATOM 376 HA ILE A 22 43.638 -12.890 29.649 1.00 5.78 H ATOM 377 C ILE A 22 45.440 -13.824 30.285 1.00 5.78 C ATOM 378 O ILE A 22 46.082 -12.776 30.348 1.00 5.78 O ATOM 379 CB ILE A 22 43.189 -13.792 31.567 1.00 5.78 C ATOM 380 HB ILE A 22 43.356 -14.751 32.058 1.00 5.78 H ATOM 381 CG1 ILE A 22 41.673 -13.595 31.333 1.00 5.78 C ATOM 382 1HG1 ILE A 22 41.529 -12.635 30.837 1.00 5.78 H ATOM 383 2HG1 ILE A 22 41.321 -14.367 30.652 1.00 5.78 H ATOM 384 CG2 ILE A 22 43.731 -12.668 32.490 1.00 5.78 C ATOM 385 1HG2 ILE A 22 43.250 -12.714 33.467 1.00 5.78 H ATOM 386 2HG2 ILE A 22 43.550 -11.692 32.043 1.00 5.78 H ATOM 387 3HG2 ILE A 22 44.803 -12.798 32.648 1.00 5.78 H ATOM 388 CD1 ILE A 22 40.764 -13.623 32.577 1.00 5.78 C ATOM 389 1HD1 ILE A 22 39.721 -13.613 32.260 1.00 5.78 H ATOM 390 2HD1 ILE A 22 40.945 -12.747 33.199 1.00 5.78 H ATOM 391 3HD1 ILE A 22 40.947 -14.522 33.160 1.00 5.78 H ATOM 392 N LYS A 23 46.029 -15.014 30.262 1.00-15.86 N ATOM 393 H LYS A 23 45.460 -15.843 30.183 1.00-15.86 H ATOM 394 CA LYS A 23 47.490 -15.148 30.306 1.00-15.86 C ATOM 395 HA LYS A 23 47.892 -14.450 31.041 1.00-15.86 H ATOM 396 C LYS A 23 48.116 -14.827 28.953 1.00-15.86 C ATOM 397 O LYS A 23 49.138 -14.156 28.882 1.00-15.86 O ATOM 398 CB LYS A 23 47.889 -16.577 30.677 1.00-15.86 C ATOM 399 1HB LYS A 23 47.502 -17.250 29.916 1.00-15.86 H ATOM 400 2HB LYS A 23 48.977 -16.648 30.665 1.00-15.86 H ATOM 401 CG LYS A 23 47.385 -17.056 32.027 1.00-15.86 C ATOM 402 1HG LYS A 23 47.830 -16.459 32.823 1.00-15.86 H ATOM 403 2HG LYS A 23 46.299 -16.968 32.068 1.00-15.86 H ATOM 404 CD LYS A 23 47.761 -18.515 32.194 1.00-15.86 C ATOM 405 1HD LYS A 23 47.343 -19.070 31.354 1.00-15.86 H ATOM 406 2HD LYS A 23 48.847 -18.618 32.178 1.00-15.86 H ATOM 407 CE LYS A 23 47.215 -19.095 33.487 1.00-15.86 C ATOM 408 1HE LYS A 23 47.730 -18.646 34.338 1.00-15.86 H ATOM 409 2HE LYS A 23 46.150 -18.866 33.555 1.00-15.86 H ATOM 410 NZ LYS A 23 47.399 -20.586 33.479 1.00-15.86 N ATOM 411 1HZ LYS A 23 47.033 -20.986 34.331 1.00-15.86 H ATOM 412 2HZ LYS A 23 48.378 -20.813 33.392 1.00-15.86 H ATOM 413 3HZ LYS A 23 46.896 -20.976 32.684 1.00-15.86 H ATOM 414 N LYS A 24 47.503 -15.321 27.886 1.00 6.98 N ATOM 415 H LYS A 24 46.663 -15.879 28.013 1.00 6.98 H ATOM 416 CA LYS A 24 47.972 -15.097 26.518 1.00 6.98 C ATOM 417 HA LYS A 24 48.824 -14.418 26.542 1.00 6.98 H ATOM 418 C LYS A 24 46.868 -14.417 25.728 1.00 6.98 C ATOM 419 O LYS A 24 46.055 -15.055 25.051 1.00 6.98 O ATOM 420 CB LYS A 24 48.424 -16.401 25.848 1.00 6.98 C ATOM 421 1HB LYS A 24 49.181 -16.866 26.479 1.00 6.98 H ATOM 422 2HB LYS A 24 47.575 -17.081 25.785 1.00 6.98 H ATOM 423 CG LYS A 24 49.023 -16.177 24.446 1.00 6.98 C ATOM 424 1HG LYS A 24 49.071 -15.106 24.253 1.00 6.98 H ATOM 425 2HG LYS A 24 50.039 -16.569 24.427 1.00 6.98 H ATOM 426 CD LYS A 24 48.207 -16.857 23.335 1.00 6.98 C ATOM 427 1HD LYS A 24 48.691 -17.801 23.081 1.00 6.98 H ATOM 428 2HD LYS A 24 47.203 -17.076 23.697 1.00 6.98 H ATOM 429 CE LYS A 24 48.080 -16.000 22.070 1.00 6.98 C ATOM 430 1HE LYS A 24 49.071 -15.669 21.755 1.00 6.98 H ATOM 431 2HE LYS A 24 47.652 -16.619 21.280 1.00 6.98 H ATOM 432 NZ LYS A 24 47.192 -14.803 22.271 1.00 6.98 N ATOM 433 1HZ LYS A 24 46.912 -14.393 21.392 1.00 6.98 H ATOM 434 2HZ LYS A 24 47.674 -14.074 22.799 1.00 6.98 H ATOM 435 3HZ LYS A 24 46.364 -15.050 22.800 1.00 6.98 H ATOM 436 N LYS A 25 46.885 -13.101 25.828 1.00 -8.42 N ATOM 437 H LYS A 25 47.586 -12.670 26.403 1.00 -8.42 H ATOM 438 CA LYS A 25 45.983 -12.235 25.077 1.00 -8.42 C ATOM 439 HA LYS A 25 44.982 -12.668 25.050 1.00 -8.42 H ATOM 440 C LYS A 25 46.546 -12.201 23.670 1.00 -8.42 C ATOM 441 O LYS A 25 47.784 -12.357 23.586 1.00 -8.42 O ATOM 442 OXT LYS A 25 45.787 -12.216 22.689 1.00 -8.42 O ATOM 443 CB LYS A 25 45.948 -10.851 25.721 1.00 -8.42 C ATOM 444 1HB LYS A 25 46.960 -10.445 25.723 1.00 -8.42 H ATOM 445 2HB LYS A 25 45.307 -10.197 25.130 1.00 -8.42 H ATOM 446 CG LYS A 25 45.435 -10.913 27.155 1.00 -8.42 C ATOM 447 1HG LYS A 25 44.417 -11.305 27.155 1.00 -8.42 H ATOM 448 2HG LYS A 25 46.067 -11.584 27.735 1.00 -8.42 H ATOM 449 CD LYS A 25 45.450 -9.566 27.837 1.00 -8.42 C ATOM 450 1HD LYS A 25 46.457 -9.151 27.784 1.00 -8.42 H ATOM 451 2HD LYS A 25 44.750 -8.894 27.338 1.00 -8.42 H ATOM 452 CE LYS A 25 45.055 -9.753 29.294 1.00 -8.42 C ATOM 453 1HE LYS A 25 44.052 -10.182 29.338 1.00 -8.42 H ATOM 454 2HE LYS A 25 45.750 -10.462 29.751 1.00 -8.42 H ATOM 455 NZ LYS A 25 45.095 -8.469 30.059 1.00 -8.42 N ATOM 456 1HZ LYS A 25 44.843 -8.640 31.023 1.00 -8.42 H ATOM 457 2HZ LYS A 25 44.447 -7.809 29.653 1.00 -8.42 H ATOM 458 3HZ LYS A 25 46.030 -8.085 30.024 1.00 -8.42 H TER 459 LYS A 25 END
SEQUENCE	IKRFWPVVIRTVVAGYNLYRAIKKK
HELICITY	80.00	INSTAB. INDEX	13.39	FLEXIBILITY	7.76
a HYD. MOM.	71.30	b HYD. MOM.	29.27	c HYD. MOM	7.98
a MEAN HYD. MOM.	2.85	b MEAN HYD. MOM.	1.17	c MEAN HYD. MOM.	0.32
CHARGE pH5	7.00	CHARGE pH7	6.99	CHARGE pH9	6.52
Δ CHARGE pH5-pH9	0.48	ISOELECTRIC POINT	11.17	BOMAN INDEX	1.23
ΔG	8	CPP	0,18	MLP	-8,21
MOLECULAR VOLUME		POLARITY
MIC E. coli	2	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	0,94	MIC M. luteus		MIC B. subtilis	0,63
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