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ID	1413	NAME	RL2   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\KRFWPVVIRTVVAGYNLYRAIKKK.pdb REMARK YASARA Written on: Wed May 14 13:13:11 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 439 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 LYS ARG PHE TRP PRO VAL VAL ILE ARG THR VAL VAL ALA SEQRES 2 A 24 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 LYS A 1 23.409 -16.951 22.043 1.00-22.64 N ATOM 2 1H LYS A 1 23.108 -16.451 21.219 1.00-22.64 H ATOM 3 2H LYS A 1 22.603 -17.209 22.596 1.00-22.64 H ATOM 4 3H LYS A 1 23.891 -17.796 21.760 1.00-22.64 H ATOM 5 CA LYS A 1 24.336 -16.095 22.853 1.00-22.64 C ATOM 6 HA LYS A 1 25.204 -15.871 22.231 1.00-22.64 H ATOM 7 C LYS A 1 24.842 -16.870 24.057 1.00-22.64 C ATOM 8 O LYS A 1 26.008 -17.219 24.094 1.00-22.64 O ATOM 9 CB LYS A 1 23.693 -14.762 23.274 1.00-22.64 C ATOM 10 1HB LYS A 1 23.268 -14.288 22.389 1.00-22.64 H ATOM 11 2HB LYS A 1 22.886 -14.954 23.982 1.00-22.64 H ATOM 12 CG LYS A 1 24.695 -13.789 23.911 1.00-22.64 C ATOM 13 1HG LYS A 1 25.128 -14.252 24.797 1.00-22.64 H ATOM 14 2HG LYS A 1 25.495 -13.596 23.195 1.00-22.64 H ATOM 15 CD LYS A 1 24.065 -12.453 24.312 1.00-22.64 C ATOM 16 1HD LYS A 1 23.613 -11.994 23.431 1.00-22.64 H ATOM 17 2HD LYS A 1 23.289 -12.631 25.059 1.00-22.64 H ATOM 18 CE LYS A 1 25.121 -11.500 24.893 1.00-22.64 C ATOM 19 1HE LYS A 1 25.581 -11.974 25.764 1.00-22.64 H ATOM 20 2HE LYS A 1 25.901 -11.344 24.143 1.00-22.64 H ATOM 21 NZ LYS A 1 24.562 -10.157 25.302 1.00-22.64 N ATOM 22 1HZ LYS A 1 25.304 -9.576 25.673 1.00-22.64 H ATOM 23 2HZ LYS A 1 23.854 -10.277 26.014 1.00-22.64 H ATOM 24 3HZ LYS A 1 24.153 -9.692 24.502 1.00-22.64 H ATOM 25 N ARG A 2 23.979 -17.244 24.998 1.00 8.28 N ATOM 26 H ARG A 2 23.076 -16.809 25.095 1.00 8.28 H ATOM 27 CA ARG A 2 24.265 -18.442 25.790 1.00 8.28 C ATOM 28 HA ARG A 2 25.283 -18.412 26.185 1.00 8.28 H ATOM 29 C ARG A 2 24.134 -19.530 24.737 1.00 8.28 C ATOM 30 O ARG A 2 23.270 -19.402 23.870 1.00 8.28 O ATOM 31 CB ARG A 2 23.234 -18.663 26.910 1.00 8.28 C ATOM 32 1HB ARG A 2 23.232 -17.790 27.566 1.00 8.28 H ATOM 33 2HB ARG A 2 22.250 -18.753 26.452 1.00 8.28 H ATOM 34 CG ARG A 2 23.501 -19.922 27.750 1.00 8.28 C ATOM 35 1HG ARG A 2 23.576 -20.776 27.083 1.00 8.28 H ATOM 36 2HG ARG A 2 24.454 -19.803 28.265 1.00 8.28 H ATOM 37 CD ARG A 2 22.417 -20.234 28.784 1.00 8.28 C ATOM 38 1HD ARG A 2 22.725 -21.109 29.359 1.00 8.28 H ATOM 39 2HD ARG A 2 22.343 -19.390 29.473 1.00 8.28 H ATOM 40 NE ARG A 2 21.084 -20.485 28.204 1.00 8.28 N ATOM 41 HE ARG A 2 20.424 -19.724 28.273 1.00 8.28 H ATOM 42 CZ ARG A 2 20.642 -21.614 27.659 1.00 8.28 C ATOM 43 NH1 ARG A 2 19.373 -21.714 27.376 1.00 8.28 N ATOM 44 1HH1 ARG A 2 18.739 -20.964 27.598 1.00 8.28 H ATOM 45 2HH1 ARG A 2 19.013 -22.551 26.944 1.00 8.28 H ATOM 46 NH2 ARG A 2 21.398 -22.639 27.365 1.00 8.28 N ATOM 47 1HH2 ARG A 2 22.400 -22.587 27.472 1.00 8.28 H ATOM 48 2HH2 ARG A 2 20.991 -23.482 27.001 1.00 8.28 H ATOM 49 N PHE A 3 24.956 -20.560 24.814 1.00 23.47 N ATOM 50 H PHE A 3 25.703 -20.548 25.487 1.00 23.47 H ATOM 51 CA PHE A 3 24.774 -21.766 24.012 1.00 23.47 C ATOM 52 HA PHE A 3 23.761 -21.792 23.610 1.00 23.47 H ATOM 53 C PHE A 3 24.930 -22.929 24.995 1.00 23.47 C ATOM 54 O PHE A 3 24.078 -23.098 25.867 1.00 23.47 O ATOM 55 CB PHE A 3 25.767 -21.809 22.847 1.00 23.47 C ATOM 56 1HB PHE A 3 26.778 -21.785 23.237 1.00 23.47 H ATOM 57 2HB PHE A 3 25.620 -22.739 22.300 1.00 23.47 H ATOM 58 CG PHE A 3 25.621 -20.670 21.874 1.00 23.47 C ATOM 59 CD1 PHE A 3 26.519 -19.585 21.905 1.00 23.47 C ATOM 60 HD1 PHE A 3 27.299 -19.552 22.652 1.00 23.47 H ATOM 61 CD2 PHE A 3 24.611 -20.692 20.897 1.00 23.47 C ATOM 62 HD2 PHE A 3 23.917 -21.520 20.859 1.00 23.47 H ATOM 63 CE1 PHE A 3 26.429 -18.539 20.951 1.00 23.47 C ATOM 64 HE1 PHE A 3 27.141 -17.727 20.973 1.00 23.47 H ATOM 65 CE2 PHE A 3 24.501 -19.650 19.940 1.00 23.47 C ATOM 66 HE2 PHE A 3 23.730 -19.689 19.183 1.00 23.47 H ATOM 67 CZ PHE A 3 25.422 -18.576 19.961 1.00 23.47 C ATOM 68 HZ PHE A 3 25.367 -17.798 19.212 1.00 23.47 H ATOM 69 N TRP A 4 26.036 -23.657 24.932 1.00 8.13 N ATOM 70 H TRP A 4 26.713 -23.466 24.207 1.00 8.13 H ATOM 71 CA TRP A 4 26.314 -24.793 25.820 1.00 8.13 C ATOM 72 HA TRP A 4 25.414 -25.023 26.389 1.00 8.13 H ATOM 73 C TRP A 4 27.457 -24.476 26.799 1.00 8.13 C ATOM 74 O TRP A 4 28.580 -24.958 26.637 1.00 8.13 O ATOM 75 CB TRP A 4 26.650 -26.019 24.953 1.00 8.13 C ATOM 76 1HB TRP A 4 27.707 -26.021 24.694 1.00 8.13 H ATOM 77 2HB TRP A 4 26.427 -26.930 25.510 1.00 8.13 H ATOM 78 CG TRP A 4 25.891 -26.013 23.659 1.00 8.13 C ATOM 79 CD1 TRP A 4 24.627 -26.465 23.433 1.00 8.13 C ATOM 80 HD1 TRP A 4 24.008 -26.941 24.182 1.00 8.13 H ATOM 81 CD2 TRP A 4 26.342 -25.488 22.395 1.00 8.13 C ATOM 82 NE1 TRP A 4 24.236 -26.229 22.142 1.00 8.13 N ATOM 83 HE1 TRP A 4 23.338 -26.489 21.756 1.00 8.13 H ATOM 84 CE2 TRP A 4 25.251 -25.589 21.485 1.00 8.13 C ATOM 85 CE3 TRP A 4 27.538 -24.880 21.958 1.00 8.13 C ATOM 86 HE3 TRP A 4 28.390 -24.812 22.618 1.00 8.13 H ATOM 87 CZ2 TRP A 4 25.314 -25.073 20.174 1.00 8.13 C ATOM 88 HZ2 TRP A 4 24.471 -25.159 19.504 1.00 8.13 H ATOM 89 CZ3 TRP A 4 27.606 -24.360 20.640 1.00 8.13 C ATOM 90 HZ3 TRP A 4 28.516 -23.889 20.293 1.00 8.13 H ATOM 91 CH2 TRP A 4 26.486 -24.461 19.764 1.00 8.13 C ATOM 92 HH2 TRP A 4 26.557 -24.061 18.762 1.00 8.13 H ATOM 93 N PRO A 5 27.229 -23.596 27.793 1.00 21.96 N ATOM 94 CA PRO A 5 28.423 -22.882 28.267 1.00 21.96 C ATOM 95 HA PRO A 5 28.951 -22.454 27.415 1.00 21.96 H ATOM 96 C PRO A 5 29.433 -23.688 29.084 1.00 21.96 C ATOM 97 O PRO A 5 30.592 -23.304 29.152 1.00 21.96 O ATOM 98 CB PRO A 5 27.824 -21.748 29.103 1.00 21.96 C ATOM 99 1HB PRO A 5 28.503 -21.450 29.902 1.00 21.96 H ATOM 100 2HB PRO A 5 27.585 -20.896 28.467 1.00 21.96 H ATOM 101 CG PRO A 5 26.571 -22.335 29.647 1.00 21.96 C ATOM 102 1HG PRO A 5 26.799 -23.005 30.476 1.00 21.96 H ATOM 103 2HG PRO A 5 25.879 -21.555 29.963 1.00 21.96 H ATOM 104 CD PRO A 5 26.015 -23.106 28.475 1.00 21.96 C ATOM 105 1HD PRO A 5 25.390 -23.933 28.816 1.00 21.96 H ATOM 106 2HD PRO A 5 25.457 -22.440 27.820 1.00 21.96 H ATOM 107 N VAL A 6 29.036 -24.807 29.676 1.00-14.78 N ATOM 108 H VAL A 6 28.073 -25.093 29.630 1.00-14.78 H ATOM 109 CA VAL A 6 29.987 -25.654 30.400 1.00-14.78 C ATOM 110 HA VAL A 6 30.564 -25.035 31.086 1.00-14.78 H ATOM 111 C VAL A 6 30.945 -26.299 29.401 1.00-14.78 C ATOM 112 O VAL A 6 32.155 -26.347 29.613 1.00-14.78 O ATOM 113 CB VAL A 6 29.245 -26.752 31.214 1.00-14.78 C ATOM 114 HB VAL A 6 28.684 -27.379 30.521 1.00-14.78 H ATOM 115 CG1 VAL A 6 30.223 -27.641 31.995 1.00-14.78 C ATOM 116 1HG1 VAL A 6 29.672 -28.382 32.577 1.00-14.78 H ATOM 117 2HG1 VAL A 6 30.830 -27.038 32.672 1.00-14.78 H ATOM 118 3HG1 VAL A 6 30.881 -28.176 31.308 1.00-14.78 H ATOM 119 CG2 VAL A 6 28.241 -26.110 32.191 1.00-14.78 C ATOM 120 1HG2 VAL A 6 27.762 -26.891 32.787 1.00-14.78 H ATOM 121 2HG2 VAL A 6 27.463 -25.576 31.652 1.00-14.78 H ATOM 122 3HG2 VAL A 6 28.756 -25.425 32.865 1.00-14.78 H ATOM 123 N VAL A 7 30.407 -26.746 28.276 1.00-11.58 N ATOM 124 H VAL A 7 29.421 -26.637 28.106 1.00-11.58 H ATOM 125 CA VAL A 7 31.211 -27.393 27.241 1.00-11.58 C ATOM 126 HA VAL A 7 31.815 -28.178 27.697 1.00-11.58 H ATOM 127 C VAL A 7 32.139 -26.346 26.643 1.00-11.58 C ATOM 128 O VAL A 7 33.323 -26.593 26.445 1.00-11.58 O ATOM 129 CB VAL A 7 30.310 -28.015 26.133 1.00-11.58 C ATOM 130 HB VAL A 7 29.737 -27.218 25.663 1.00-11.58 H ATOM 131 CG1 VAL A 7 31.142 -28.716 25.054 1.00-11.58 C ATOM 132 1HG1 VAL A 7 30.483 -29.161 24.308 1.00-11.58 H ATOM 133 2HG1 VAL A 7 31.759 -29.497 25.500 1.00-11.58 H ATOM 134 3HG1 VAL A 7 31.791 -27.998 24.551 1.00-11.58 H ATOM 135 CG2 VAL A 7 29.316 -29.015 26.748 1.00-11.58 C ATOM 136 1HG2 VAL A 7 28.730 -29.483 25.955 1.00-11.58 H ATOM 137 2HG2 VAL A 7 28.629 -28.511 27.423 1.00-11.58 H ATOM 138 3HG2 VAL A 7 29.854 -29.795 27.292 1.00-11.58 H ATOM 139 N ILE A 8 31.623 -25.147 26.421 1.00 -1.13 N ATOM 140 H ILE A 8 30.640 -24.983 26.611 1.00 -1.13 H ATOM 141 CA ILE A 8 32.440 -24.064 25.876 1.00 -1.13 C ATOM 142 HA ILE A 8 32.903 -24.414 24.953 1.00 -1.13 H ATOM 143 C ILE A 8 33.573 -23.735 26.845 1.00 -1.13 C ATOM 144 O ILE A 8 34.715 -23.612 26.423 1.00 -1.13 O ATOM 145 CB ILE A 8 31.581 -22.807 25.550 1.00 -1.13 C ATOM 146 HB ILE A 8 31.043 -22.512 26.450 1.00 -1.13 H ATOM 147 CG1 ILE A 8 30.562 -23.162 24.448 1.00 -1.13 C ATOM 148 1HG1 ILE A 8 31.110 -23.329 23.520 1.00 -1.13 H ATOM 149 2HG1 ILE A 8 30.062 -24.092 24.703 1.00 -1.13 H ATOM 150 CG2 ILE A 8 32.470 -21.617 25.096 1.00 -1.13 C ATOM 151 1HG2 ILE A 8 31.858 -20.744 24.874 1.00 -1.13 H ATOM 152 2HG2 ILE A 8 33.039 -21.889 24.204 1.00 -1.13 H ATOM 153 3HG2 ILE A 8 33.167 -21.340 25.888 1.00 -1.13 H ATOM 154 CD1 ILE A 8 29.474 -22.123 24.181 1.00 -1.13 C ATOM 155 1HD1 ILE A 8 28.827 -22.496 23.391 1.00 -1.13 H ATOM 156 2HD1 ILE A 8 29.916 -21.184 23.845 1.00 -1.13 H ATOM 157 3HD1 ILE A 8 28.893 -21.952 25.087 1.00 -1.13 H ATOM 158 N ARG A 9 33.317 -23.650 28.144 1.00-17.89 N ATOM 159 H ARG A 9 32.365 -23.775 28.486 1.00-17.89 H ATOM 160 CA ARG A 9 34.399 -23.379 29.098 1.00-17.89 C ATOM 161 HA ARG A 9 34.941 -22.491 28.769 1.00-17.89 H ATOM 162 C ARG A 9 35.419 -24.505 29.151 1.00-17.89 C ATOM 163 O ARG A 9 36.604 -24.242 29.318 1.00-17.89 O ATOM 164 CB ARG A 9 33.847 -23.124 30.501 1.00-17.89 C ATOM 165 1HB ARG A 9 33.133 -23.911 30.746 1.00-17.89 H ATOM 166 2HB ARG A 9 34.673 -23.174 31.211 1.00-17.89 H ATOM 167 CG ARG A 9 33.183 -21.764 30.651 1.00-17.89 C ATOM 168 1HG ARG A 9 33.924 -20.986 30.466 1.00-17.89 H ATOM 169 2HG ARG A 9 32.381 -21.663 29.925 1.00-17.89 H ATOM 170 CD ARG A 9 32.611 -21.589 32.048 1.00-17.89 C ATOM 171 1HD ARG A 9 31.867 -22.368 32.225 1.00-17.89 H ATOM 172 2HD ARG A 9 33.417 -21.694 32.776 1.00-17.89 H ATOM 173 NE ARG A 9 31.983 -20.268 32.207 1.00-17.89 N ATOM 174 HE ARG A 9 32.007 -19.665 31.399 1.00-17.89 H ATOM 175 CZ ARG A 9 31.408 -19.797 33.306 1.00-17.89 C ATOM 176 NH1 ARG A 9 30.908 -18.592 33.285 1.00-17.89 N ATOM 177 1HH1 ARG A 9 30.973 -18.027 32.454 1.00-17.89 H ATOM 178 2HH1 ARG A 9 30.463 -18.215 34.105 1.00-17.89 H ATOM 179 NH2 ARG A 9 31.307 -20.477 34.422 1.00-17.89 N ATOM 180 1HH2 ARG A 9 31.687 -21.407 34.474 1.00-17.89 H ATOM 181 2HH2 ARG A 9 30.865 -20.072 35.230 1.00-17.89 H ATOM 182 N THR A 10 34.984 -25.737 28.950 1.00-11.06 N ATOM 183 H THR A 10 33.991 -25.905 28.836 1.00-11.06 H ATOM 184 CA THR A 10 35.902 -26.874 28.889 1.00-11.06 C ATOM 185 HA THR A 10 36.519 -26.873 29.788 1.00-11.06 H ATOM 186 C THR A 10 36.821 -26.743 27.672 1.00-11.06 C ATOM 187 O THR A 10 38.037 -26.924 27.777 1.00-11.06 O ATOM 188 CB THR A 10 35.115 -28.205 28.825 1.00-11.06 C ATOM 189 HB THR A 10 34.567 -28.265 27.886 1.00-11.06 H ATOM 190 OG1 THR A 10 34.188 -28.256 29.913 1.00-11.06 O ATOM 191 HG1 THR A 10 33.503 -27.583 29.782 1.00-11.06 H ATOM 192 CG2 THR A 10 36.015 -29.418 28.960 1.00-11.06 C ATOM 193 1HG2 THR A 10 35.400 -30.318 28.965 1.00-11.06 H ATOM 194 2HG2 THR A 10 36.571 -29.364 29.896 1.00-11.06 H ATOM 195 3HG2 THR A 10 36.711 -29.467 28.122 1.00-11.06 H ATOM 196 N VAL A 11 36.268 -26.372 26.525 1.00-11.09 N ATOM 197 H VAL A 11 35.259 -26.242 26.470 1.00-11.09 H ATOM 198 CA VAL A 11 37.069 -26.155 25.318 1.00-11.09 C ATOM 199 HA VAL A 11 37.691 -27.032 25.160 1.00-11.09 H ATOM 200 C VAL A 11 37.998 -24.954 25.510 1.00-11.09 C ATOM 201 O VAL A 11 39.169 -25.003 25.129 1.00-11.09 O ATOM 202 CB VAL A 11 36.169 -25.967 24.057 1.00-11.09 C ATOM 203 HB VAL A 11 35.478 -25.146 24.239 1.00-11.09 H ATOM 204 CG1 VAL A 11 36.995 -25.638 22.799 1.00-11.09 C ATOM 205 1HG1 VAL A 11 36.335 -25.560 21.935 1.00-11.09 H ATOM 206 2HG1 VAL A 11 37.735 -26.419 22.615 1.00-11.09 H ATOM 207 3HG1 VAL A 11 37.503 -24.682 22.922 1.00-11.09 H ATOM 208 CG2 VAL A 11 35.358 -27.247 23.781 1.00-11.09 C ATOM 209 1HG2 VAL A 11 34.701 -27.089 22.926 1.00-11.09 H ATOM 210 2HG2 VAL A 11 34.744 -27.506 24.641 1.00-11.09 H ATOM 211 3HG2 VAL A 11 36.029 -28.079 23.566 1.00-11.09 H ATOM 212 N VAL A 12 37.530 -23.887 26.140 1.00 -3.93 N ATOM 213 H VAL A 12 36.552 -23.855 26.432 1.00 -3.93 H ATOM 214 CA VAL A 12 38.401 -22.745 26.416 1.00 -3.93 C ATOM 215 HA VAL A 12 38.836 -22.423 25.474 1.00 -3.93 H ATOM 216 C VAL A 12 39.553 -23.188 27.308 1.00 -3.93 C ATOM 217 O VAL A 12 40.698 -22.904 26.976 1.00 -3.93 O ATOM 218 CB VAL A 12 37.636 -21.534 27.029 1.00 -3.93 C ATOM 219 HB VAL A 12 37.070 -21.878 27.893 1.00 -3.93 H ATOM 220 CG1 VAL A 12 38.594 -20.419 27.492 1.00 -3.93 C ATOM 221 1HG1 VAL A 12 38.018 -19.569 27.862 1.00 -3.93 H ATOM 222 2HG1 VAL A 12 39.223 -20.087 26.666 1.00 -3.93 H ATOM 223 3HG1 VAL A 12 39.226 -20.779 28.305 1.00 -3.93 H ATOM 224 CG2 VAL A 12 36.664 -20.936 25.997 1.00 -3.93 C ATOM 225 1HG2 VAL A 12 36.063 -20.156 26.466 1.00 -3.93 H ATOM 226 2HG2 VAL A 12 35.991 -21.699 25.615 1.00 -3.93 H ATOM 227 3HG2 VAL A 12 37.216 -20.505 25.161 1.00 -3.93 H ATOM 228 N ALA A 13 39.310 -23.915 28.387 1.00 3.90 N ATOM 229 H ALA A 13 38.352 -24.165 28.635 1.00 3.90 H ATOM 230 CA ALA A 13 40.406 -24.331 29.254 1.00 3.90 C ATOM 231 HA ALA A 13 40.949 -23.440 29.560 1.00 3.90 H ATOM 232 C ALA A 13 41.390 -25.247 28.515 1.00 3.90 C ATOM 233 O ALA A 13 42.593 -24.992 28.480 1.00 3.90 O ATOM 234 CB ALA A 13 39.848 -25.020 30.508 1.00 3.90 C ATOM 235 1HB ALA A 13 39.195 -24.330 31.045 1.00 3.90 H ATOM 236 2HB ALA A 13 40.672 -25.311 31.162 1.00 3.90 H ATOM 237 3HB ALA A 13 39.277 -25.907 30.229 1.00 3.90 H ATOM 238 N GLY A 14 40.875 -26.299 27.897 1.00 8.05 N ATOM 239 H GLY A 14 39.864 -26.452 27.905 1.00 8.05 H ATOM 240 CA GLY A 14 41.738 -27.288 27.276 1.00 8.05 C ATOM 241 1HA GLY A 14 42.468 -27.619 28.015 1.00 8.05 H ATOM 242 2HA GLY A 14 41.123 -28.142 26.993 1.00 8.05 H ATOM 243 C GLY A 14 42.489 -26.823 26.045 1.00 8.05 C ATOM 244 O GLY A 14 43.628 -27.244 25.815 1.00 8.05 O ATOM 245 N TYR A 15 41.863 -25.986 25.230 1.00 4.32 N ATOM 246 H TYR A 15 40.939 -25.634 25.483 1.00 4.32 H ATOM 247 CA TYR A 15 42.392 -25.653 23.907 1.00 4.32 C ATOM 248 HA TYR A 15 43.295 -26.225 23.746 1.00 4.32 H ATOM 249 C TYR A 15 42.759 -24.192 23.690 1.00 4.32 C ATOM 250 O TYR A 15 43.400 -23.880 22.695 1.00 4.32 O ATOM 251 CB TYR A 15 41.396 -26.091 22.826 1.00 4.32 C ATOM 252 1HB TYR A 15 40.468 -25.535 22.951 1.00 4.32 H ATOM 253 2HB TYR A 15 41.810 -25.845 21.848 1.00 4.32 H ATOM 254 CG TYR A 15 41.089 -27.576 22.857 1.00 4.32 C ATOM 255 CD1 TYR A 15 40.098 -28.094 23.716 1.00 4.32 C ATOM 256 HD1 TYR A 15 39.546 -27.426 24.356 1.00 4.32 H ATOM 257 CD2 TYR A 15 41.787 -28.473 22.022 1.00 4.32 C ATOM 258 HD2 TYR A 15 42.538 -28.098 21.340 1.00 4.32 H ATOM 259 CE1 TYR A 15 39.823 -29.482 23.764 1.00 4.32 C ATOM 260 HE1 TYR A 15 39.064 -29.868 24.429 1.00 4.32 H ATOM 261 CE2 TYR A 15 41.506 -29.870 22.058 1.00 4.32 C ATOM 262 HE2 TYR A 15 42.032 -30.548 21.406 1.00 4.32 H ATOM 263 CZ TYR A 15 40.528 -30.356 22.934 1.00 4.32 C ATOM 264 OH TYR A 15 40.243 -31.695 22.987 1.00 4.32 O ATOM 265 HH TYR A 15 40.731 -32.212 22.344 1.00 4.32 H ATOM 266 N ASN A 16 42.397 -23.296 24.597 1.00 26.42 N ATOM 267 H ASN A 16 41.875 -23.585 25.420 1.00 26.42 H ATOM 268 CA ASN A 16 42.693 -21.871 24.404 1.00 26.42 C ATOM 269 HA ASN A 16 43.288 -21.745 23.502 1.00 26.42 H ATOM 270 C ASN A 16 43.489 -21.246 25.541 1.00 26.42 C ATOM 271 O ASN A 16 44.510 -20.605 25.295 1.00 26.42 O ATOM 272 CB ASN A 16 41.393 -21.095 24.182 1.00 26.42 C ATOM 273 1HB ASN A 16 40.695 -21.313 24.982 1.00 26.42 H ATOM 274 2HB ASN A 16 41.612 -20.027 24.196 1.00 26.42 H ATOM 275 CG ASN A 16 40.755 -21.418 22.859 1.00 26.42 C ATOM 276 OD1 ASN A 16 41.177 -20.921 21.836 1.00 26.42 O ATOM 277 ND2 ASN A 16 39.752 -22.256 22.861 1.00 26.42 N ATOM 278 1HD2 ASN A 16 39.306 -22.457 21.982 1.00 26.42 H ATOM 279 2HD2 ASN A 16 39.452 -22.697 23.712 1.00 26.42 H ATOM 280 N LEU A 17 43.080 -21.490 26.776 1.00 17.60 N ATOM 281 H LEU A 17 42.257 -22.078 26.919 1.00 17.60 H ATOM 282 CA LEU A 17 43.713 -20.921 27.966 1.00 17.60 C ATOM 283 HA LEU A 17 43.634 -19.840 27.927 1.00 17.60 H ATOM 284 C LEU A 17 45.187 -21.283 28.049 1.00 17.60 C ATOM 285 O LEU A 17 46.039 -20.449 28.342 1.00 17.60 O ATOM 286 CB LEU A 17 42.975 -21.445 29.202 1.00 17.60 C ATOM 287 1HB LEU A 17 41.920 -21.197 29.081 1.00 17.60 H ATOM 288 2HB LEU A 17 43.057 -22.530 29.190 1.00 17.60 H ATOM 289 CG LEU A 17 43.398 -20.994 30.608 1.00 17.60 C ATOM 290 HG LEU A 17 44.431 -21.296 30.776 1.00 17.60 H ATOM 291 CD1 LEU A 17 43.304 -19.487 30.809 1.00 17.60 C ATOM 292 1HD1 LEU A 17 43.526 -19.239 31.847 1.00 17.60 H ATOM 293 2HD1 LEU A 17 42.303 -19.131 30.561 1.00 17.60 H ATOM 294 3HD1 LEU A 17 44.040 -18.989 30.182 1.00 17.60 H ATOM 295 CD2 LEU A 17 42.515 -21.701 31.632 1.00 17.60 C ATOM 296 1HD2 LEU A 17 42.842 -21.440 32.639 1.00 17.60 H ATOM 297 2HD2 LEU A 17 42.603 -22.782 31.513 1.00 17.60 H ATOM 298 3HD2 LEU A 17 41.473 -21.405 31.508 1.00 17.60 H ATOM 299 N TYR A 18 45.496 -22.525 27.716 1.00 1.89 N ATOM 300 H TYR A 18 44.756 -23.175 27.487 1.00 1.89 H ATOM 301 CA TYR A 18 46.876 -22.991 27.744 1.00 1.89 C ATOM 302 HA TYR A 18 47.462 -22.290 28.335 1.00 1.89 H ATOM 303 C TYR A 18 47.524 -23.068 26.366 1.00 1.89 C ATOM 304 O TYR A 18 48.610 -23.641 26.241 1.00 1.89 O ATOM 305 CB TYR A 18 46.931 -24.349 28.447 1.00 1.89 C ATOM 306 1HB TYR A 18 46.406 -25.084 27.837 1.00 1.89 H ATOM 307 2HB TYR A 18 47.971 -24.659 28.550 1.00 1.89 H ATOM 308 CG TYR A 18 46.296 -24.312 29.822 1.00 1.89 C ATOM 309 CD1 TYR A 18 45.220 -25.165 30.137 1.00 1.89 C ATOM 310 HD1 TYR A 18 44.850 -25.866 29.401 1.00 1.89 H ATOM 311 CD2 TYR A 18 46.750 -23.412 30.811 1.00 1.89 C ATOM 312 HD2 TYR A 18 47.572 -22.743 30.603 1.00 1.89 H ATOM 313 CE1 TYR A 18 44.595 -25.111 31.411 1.00 1.89 C ATOM 314 HE1 TYR A 18 43.762 -25.758 31.637 1.00 1.89 H ATOM 315 CE2 TYR A 18 46.129 -23.360 32.088 1.00 1.89 C ATOM 316 HE2 TYR A 18 46.478 -22.663 32.836 1.00 1.89 H ATOM 317 CZ TYR A 18 45.055 -24.210 32.372 1.00 1.89 C ATOM 318 OH TYR A 18 44.439 -24.158 33.596 1.00 1.89 O ATOM 319 HH TYR A 18 44.836 -23.513 34.183 1.00 1.89 H ATOM 320 N ARG A 19 46.879 -22.517 25.339 1.00 -8.69 N ATOM 321 H ARG A 19 46.011 -22.016 25.510 1.00 -8.69 H ATOM 322 CA ARG A 19 47.417 -22.575 23.966 1.00 -8.69 C ATOM 323 HA ARG A 19 48.483 -22.801 24.038 1.00 -8.69 H ATOM 324 C ARG A 19 47.309 -21.270 23.177 1.00 -8.69 C ATOM 325 O ARG A 19 48.322 -20.650 22.896 1.00 -8.69 O ATOM 326 CB ARG A 19 46.767 -23.704 23.146 1.00 -8.69 C ATOM 327 1HB ARG A 19 45.783 -23.381 22.828 1.00 -8.69 H ATOM 328 2HB ARG A 19 47.371 -23.861 22.251 1.00 -8.69 H ATOM 329 CG ARG A 19 46.591 -25.040 23.862 1.00 -8.69 C ATOM 330 1HG ARG A 19 47.525 -25.332 24.342 1.00 -8.69 H ATOM 331 2HG ARG A 19 45.817 -24.930 24.622 1.00 -8.69 H ATOM 332 CD ARG A 19 46.171 -26.137 22.899 1.00 -8.69 C ATOM 333 1HD ARG A 19 45.410 -25.741 22.222 1.00 -8.69 H ATOM 334 2HD ARG A 19 47.037 -26.453 22.317 1.00 -8.69 H ATOM 335 NE ARG A 19 45.601 -27.277 23.630 1.00 -8.69 N ATOM 336 HE ARG A 19 45.362 -27.120 24.606 1.00 -8.69 H ATOM 337 CZ ARG A 19 45.290 -28.467 23.138 1.00 -8.69 C ATOM 338 NH1 ARG A 19 44.654 -29.297 23.913 1.00 -8.69 N ATOM 339 1HH1 ARG A 19 44.352 -28.982 24.829 1.00 -8.69 H ATOM 340 2HH1 ARG A 19 44.433 -30.227 23.606 1.00 -8.69 H ATOM 341 NH2 ARG A 19 45.573 -28.850 21.918 1.00 -8.69 N ATOM 342 1HH2 ARG A 19 46.058 -28.220 21.302 1.00 -8.69 H ATOM 343 2HH2 ARG A 19 45.316 -29.768 21.601 1.00 -8.69 H ATOM 344 N ALA A 20 46.101 -20.836 22.847 1.00 13.85 N ATOM 345 H ALA A 20 45.292 -21.360 23.132 1.00 13.85 H ATOM 346 CA ALA A 20 45.885 -19.628 22.049 1.00 13.85 C ATOM 347 HA ALA A 20 46.461 -19.717 21.125 1.00 13.85 H ATOM 348 C ALA A 20 46.346 -18.348 22.752 1.00 13.85 C ATOM 349 O ALA A 20 46.824 -17.424 22.120 1.00 13.85 O ATOM 350 CB ALA A 20 44.400 -19.522 21.681 1.00 13.85 C ATOM 351 1HB ALA A 20 44.074 -20.426 21.164 1.00 13.85 H ATOM 352 2HB ALA A 20 44.255 -18.669 21.015 1.00 13.85 H ATOM 353 3HB ALA A 20 43.795 -19.377 22.576 1.00 13.85 H ATOM 354 N ILE A 21 46.241 -18.293 24.073 1.00 5.24 N ATOM 355 H ILE A 21 45.795 -19.051 24.577 1.00 5.24 H ATOM 356 CA ILE A 21 46.729 -17.116 24.801 1.00 5.24 C ATOM 357 HA ILE A 21 46.313 -16.227 24.328 1.00 5.24 H ATOM 358 C ILE A 21 48.258 -17.019 24.667 1.00 5.24 C ATOM 359 O ILE A 21 48.827 -15.927 24.652 1.00 5.24 O ATOM 360 CB ILE A 21 46.250 -17.133 26.289 1.00 5.24 C ATOM 361 HB ILE A 21 46.600 -18.049 26.766 1.00 5.24 H ATOM 362 CG1 ILE A 21 44.706 -17.111 26.311 1.00 5.24 C ATOM 363 1HG1 ILE A 21 44.370 -16.219 25.781 1.00 5.24 H ATOM 364 2HG1 ILE A 21 44.332 -17.978 25.771 1.00 5.24 H ATOM 365 CG2 ILE A 21 46.813 -15.920 27.087 1.00 5.24 C ATOM 366 1HG2 ILE A 21 46.517 -15.984 28.134 1.00 5.24 H ATOM 367 2HG2 ILE A 21 46.445 -14.986 26.663 1.00 5.24 H ATOM 368 3HG2 ILE A 21 47.903 -15.923 27.057 1.00 5.24 H ATOM 369 CD1 ILE A 21 44.051 -17.110 27.694 1.00 5.24 C ATOM 370 1HD1 ILE A 21 42.989 -17.334 27.593 1.00 5.24 H ATOM 371 2HD1 ILE A 21 44.160 -16.132 28.163 1.00 5.24 H ATOM 372 3HD1 ILE A 21 44.521 -17.865 28.322 1.00 5.24 H ATOM 373 N LYS A 22 48.926 -18.158 24.530 1.00-20.94 N ATOM 374 H LYS A 22 48.416 -19.027 24.501 1.00-20.94 H ATOM 375 CA LYS A 22 50.383 -18.180 24.367 1.00-20.94 C ATOM 376 HA LYS A 22 50.824 -17.407 24.998 1.00-20.94 H ATOM 377 C LYS A 22 50.773 -17.885 22.920 1.00-20.94 C ATOM 378 O LYS A 22 51.719 -17.150 22.669 1.00-20.94 O ATOM 379 CB LYS A 22 50.946 -19.545 24.766 1.00-20.94 C ATOM 380 1HB LYS A 22 50.516 -20.300 24.113 1.00-20.94 H ATOM 381 2HB LYS A 22 52.026 -19.538 24.611 1.00-20.94 H ATOM 382 CG LYS A 22 50.659 -19.938 26.210 1.00-20.94 C ATOM 383 1HG LYS A 22 51.159 -19.243 26.885 1.00-20.94 H ATOM 384 2HG LYS A 22 49.585 -19.907 26.392 1.00-20.94 H ATOM 385 CD LYS A 22 51.144 -21.350 26.469 1.00-20.94 C ATOM 386 1HD LYS A 22 50.662 -22.013 25.750 1.00-20.94 H ATOM 387 2HD LYS A 22 52.225 -21.401 26.332 1.00-20.94 H ATOM 388 CE LYS A 22 50.780 -21.797 27.879 1.00-20.94 C ATOM 389 1HE LYS A 22 51.369 -21.232 28.605 1.00-20.94 H ATOM 390 2HE LYS A 22 49.720 -21.597 28.050 1.00-20.94 H ATOM 391 NZ LYS A 22 51.028 -23.270 28.030 1.00-20.94 N ATOM 392 1HZ LYS A 22 50.830 -23.561 28.978 1.00-20.94 H ATOM 393 2HZ LYS A 22 51.990 -23.485 27.805 1.00-20.94 H ATOM 394 3HZ LYS A 22 50.416 -23.775 27.394 1.00-20.94 H ATOM 395 N LYS A 23 50.032 -18.450 21.975 1.00 8.09 N ATOM 396 H LYS A 23 49.260 -19.052 22.242 1.00 8.09 H ATOM 397 CA LYS A 23 50.258 -18.219 20.545 1.00 8.09 C ATOM 398 HA LYS A 23 51.137 -17.585 20.423 1.00 8.09 H ATOM 399 C LYS A 23 49.071 -17.452 19.987 1.00 8.09 C ATOM 400 O LYS A 23 48.135 -18.018 19.415 1.00 8.09 O ATOM 401 CB LYS A 23 50.503 -19.523 19.775 1.00 8.09 C ATOM 402 1HB LYS A 23 51.325 -20.055 20.254 1.00 8.09 H ATOM 403 2HB LYS A 23 49.614 -20.149 19.841 1.00 8.09 H ATOM 404 CG LYS A 23 50.869 -19.285 18.295 1.00 8.09 C ATOM 405 1HG LYS A 23 50.970 -18.212 18.127 1.00 8.09 H ATOM 406 2HG LYS A 23 51.833 -19.750 18.090 1.00 8.09 H ATOM 407 CD LYS A 23 49.827 -19.857 17.318 1.00 8.09 C ATOM 408 1HD LYS A 23 50.191 -20.815 16.947 1.00 8.09 H ATOM 409 2HD LYS A 23 48.886 -20.029 17.841 1.00 8.09 H ATOM 410 CE LYS A 23 49.549 -18.929 16.127 1.00 8.09 C ATOM 411 1HE LYS A 23 50.493 -18.642 15.660 1.00 8.09 H ATOM 412 2HE LYS A 23 48.953 -19.479 15.397 1.00 8.09 H ATOM 413 NZ LYS A 23 48.791 -17.691 16.528 1.00 8.09 N ATOM 414 1HZ LYS A 23 48.395 -17.218 15.730 1.00 8.09 H ATOM 415 2HZ LYS A 23 49.402 -17.022 16.997 1.00 8.09 H ATOM 416 3HZ LYS A 23 48.048 -17.918 17.181 1.00 8.09 H ATOM 417 N LYS A 24 49.155 -16.145 20.156 1.00-12.16 N ATOM 418 H LYS A 24 49.949 -15.769 20.640 1.00-12.16 H ATOM 419 CA LYS A 24 48.185 -15.216 19.584 1.00-12.16 C ATOM 420 HA LYS A 24 47.175 -15.613 19.693 1.00-12.16 H ATOM 421 C LYS A 24 48.533 -15.135 18.109 1.00-12.16 C ATOM 422 O LYS A 24 49.735 -15.337 17.828 1.00-12.16 O ATOM 423 OXT LYS A 24 47.635 -15.061 17.256 1.00-12.16 O ATOM 424 CB LYS A 24 48.303 -13.859 20.271 1.00-12.16 C ATOM 425 1HB LYS A 24 49.319 -13.488 20.133 1.00-12.16 H ATOM 426 2HB LYS A 24 47.607 -13.162 19.803 1.00-12.16 H ATOM 427 CG LYS A 24 48.007 -13.955 21.763 1.00-12.16 C ATOM 428 1HG LYS A 24 46.990 -14.319 21.909 1.00-12.16 H ATOM 429 2HG LYS A 24 48.701 -14.659 22.220 1.00-12.16 H ATOM 430 CD LYS A 24 48.168 -12.623 22.457 1.00-12.16 C ATOM 431 1HD LYS A 24 49.168 -12.237 22.255 1.00-12.16 H ATOM 432 2HD LYS A 24 47.421 -11.923 22.081 1.00-12.16 H ATOM 433 CE LYS A 24 47.996 -12.819 23.956 1.00-12.16 C ATOM 434 1HE LYS A 24 47.001 -13.224 24.148 1.00-12.16 H ATOM 435 2HE LYS A 24 48.733 -13.551 24.296 1.00-12.16 H ATOM 436 NZ LYS A 24 48.183 -11.543 24.717 1.00-12.16 N ATOM 437 1HZ LYS A 24 48.056 -11.716 25.706 1.00-12.16 H ATOM 438 2HZ LYS A 24 47.510 -10.857 24.405 1.00-12.16 H ATOM 439 3HZ LYS A 24 49.118 -11.190 24.560 1.00-12.16 H TER 440 LYS A 24 END
SEQUENCE	KRFWPVVIRTVVAGYNLYRAIKKK
HELICITY	79.20	INSTAB. INDEX	17.07	FLEXIBILITY	7.99
a HYD. MOM.	63.24	b HYD. MOM.	25.98	c HYD. MOM	7.34
a MEAN HYD. MOM.	2.64	b MEAN HYD. MOM.	1.08	c MEAN HYD. MOM.	0.31
CHARGE pH5	7.00	CHARGE pH7	6.99	CHARGE pH9	6.52
Δ CHARGE pH5-pH9	0.48	ISOELECTRIC POINT	11.17	BOMAN INDEX	1.49
ΔG	9	CPP	0,21	MLP	-8,24
MOLECULAR VOLUME		POLARITY
MIC E. coli	5	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	0,98	MIC M. luteus		MIC B. subtilis	0,98
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