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ID	804	NAME	RL8   Blast NCBI-PROT
LENGTH	18	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\VIRTVVAGYNLYRAIKKK.pdb REMARK YASARA Written on: Wed May 14 11:50:31 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 319 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 18 VAL ILE ARG THR VAL VAL ALA GLY TYR ASN LEU TYR ARG SEQRES 2 A 18 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 VAL A 1 36.734 -26.756 2.674 1.00-41.57 N ATOM 2 1H VAL A 1 36.190 -27.574 2.911 1.00-41.57 H ATOM 3 2H VAL A 1 37.542 -26.702 3.281 1.00-41.57 H ATOM 4 3H VAL A 1 37.049 -26.825 1.716 1.00-41.57 H ATOM 5 CA VAL A 1 35.903 -25.525 2.846 1.00-41.57 C ATOM 6 HA VAL A 1 35.033 -25.595 2.194 1.00-41.57 H ATOM 7 C VAL A 1 36.743 -24.322 2.438 1.00-41.57 C ATOM 8 O VAL A 1 37.952 -24.473 2.397 1.00-41.57 O ATOM 9 CB VAL A 1 35.426 -25.432 4.340 1.00-41.57 C ATOM 10 HB VAL A 1 36.298 -25.259 4.969 1.00-41.57 H ATOM 11 CG1 VAL A 1 34.416 -24.284 4.582 1.00-41.57 C ATOM 12 1HG1 VAL A 1 34.057 -24.322 5.614 1.00-41.57 H ATOM 13 2HG1 VAL A 1 33.553 -24.384 3.918 1.00-41.57 H ATOM 14 3HG1 VAL A 1 34.884 -23.315 4.435 1.00-41.57 H ATOM 15 CG2 VAL A 1 34.767 -26.757 4.792 1.00-41.57 C ATOM 16 1HG2 VAL A 1 34.364 -26.641 5.803 1.00-41.57 H ATOM 17 2HG2 VAL A 1 35.494 -27.568 4.835 1.00-41.57 H ATOM 18 3HG2 VAL A 1 33.942 -27.029 4.127 1.00-41.57 H ATOM 19 N ILE A 2 36.182 -23.157 2.130 1.00-23.96 N ATOM 20 H ILE A 2 35.177 -23.040 2.168 1.00-23.96 H ATOM 21 CA ILE A 2 36.992 -22.010 1.689 1.00-23.96 C ATOM 22 HA ILE A 2 37.566 -22.308 0.810 1.00-23.96 H ATOM 23 C ILE A 2 37.994 -21.603 2.775 1.00-23.96 C ATOM 24 O ILE A 2 39.164 -21.374 2.499 1.00-23.96 O ATOM 25 CB ILE A 2 36.093 -20.790 1.299 1.00-23.96 C ATOM 26 HB ILE A 2 35.523 -20.485 2.177 1.00-23.96 H ATOM 27 CG1 ILE A 2 35.098 -21.199 0.190 1.00-23.96 C ATOM 28 1HG1 ILE A 2 35.662 -21.418 -0.717 1.00-23.96 H ATOM 29 2HG1 ILE A 2 34.579 -22.108 0.488 1.00-23.96 H ATOM 30 CG2 ILE A 2 36.959 -19.588 0.833 1.00-23.96 C ATOM 31 1HG2 ILE A 2 36.327 -18.730 0.597 1.00-23.96 H ATOM 32 2HG2 ILE A 2 37.534 -19.855 -0.057 1.00-23.96 H ATOM 33 3HG2 ILE A 2 37.649 -19.279 1.618 1.00-23.96 H ATOM 34 CD1 ILE A 2 34.016 -20.160 -0.151 1.00-23.96 C ATOM 35 1HD1 ILE A 2 33.310 -20.594 -0.861 1.00-23.96 H ATOM 36 2HD1 ILE A 2 34.466 -19.279 -0.610 1.00-23.96 H ATOM 37 3HD1 ILE A 2 33.478 -19.866 0.750 1.00-23.96 H ATOM 38 N ARG A 3 37.581 -21.608 4.037 1.00-14.26 N ATOM 39 H ARG A 3 36.622 -21.827 4.246 1.00-14.26 H ATOM 40 CA ARG A 3 38.505 -21.272 5.128 1.00-14.26 C ATOM 41 HA ARG A 3 38.950 -20.298 4.912 1.00-14.26 H ATOM 42 C ARG A 3 39.670 -22.249 5.260 1.00-14.26 C ATOM 43 O ARG A 3 40.729 -21.861 5.728 1.00-14.26 O ATOM 44 CB ARG A 3 37.773 -21.182 6.471 1.00-14.26 C ATOM 45 1HB ARG A 3 37.277 -22.131 6.673 1.00-14.26 H ATOM 46 2HB ARG A 3 38.522 -21.017 7.245 1.00-14.26 H ATOM 47 CG ARG A 3 36.744 -20.050 6.544 1.00-14.26 C ATOM 48 1HG ARG A 3 37.223 -19.114 6.252 1.00-14.26 H ATOM 49 2HG ARG A 3 35.933 -20.260 5.847 1.00-14.26 H ATOM 50 CD ARG A 3 36.159 -19.889 7.950 1.00-14.26 C ATOM 51 1HD ARG A 3 35.332 -19.177 7.900 1.00-14.26 H ATOM 52 2HD ARG A 3 35.770 -20.851 8.285 1.00-14.26 H ATOM 53 NE ARG A 3 37.151 -19.397 8.921 1.00-14.26 N ATOM 54 HE ARG A 3 38.074 -19.207 8.565 1.00-14.26 H ATOM 55 CZ ARG A 3 36.943 -19.168 10.213 1.00-14.26 C ATOM 56 NH1 ARG A 3 37.936 -18.738 10.942 1.00-14.26 N ATOM 57 1HH1 ARG A 3 38.838 -18.566 10.529 1.00-14.26 H ATOM 58 2HH1 ARG A 3 37.800 -18.566 11.927 1.00-14.26 H ATOM 59 NH2 ARG A 3 35.790 -19.354 10.808 1.00-14.26 N ATOM 60 1HH2 ARG A 3 34.999 -19.679 10.277 1.00-14.26 H ATOM 61 2HH2 ARG A 3 35.690 -19.165 11.793 1.00-14.26 H ATOM 62 N THR A 4 39.502 -23.484 4.809 1.00 11.70 N ATOM 63 H THR A 4 38.624 -23.765 4.411 1.00 11.70 H ATOM 64 CA THR A 4 40.589 -24.461 4.827 1.00 11.70 C ATOM 65 HA THR A 4 41.001 -24.525 5.834 1.00 11.70 H ATOM 66 C THR A 4 41.683 -24.028 3.857 1.00 11.70 C ATOM 67 O THR A 4 42.861 -24.121 4.162 1.00 11.70 O ATOM 68 CB THR A 4 40.081 -25.851 4.382 1.00 11.70 C ATOM 69 HB THR A 4 39.914 -25.842 3.306 1.00 11.70 H ATOM 70 OG1 THR A 4 38.833 -26.125 5.029 1.00 11.70 O ATOM 71 HG1 THR A 4 39.034 -26.427 5.922 1.00 11.70 H ATOM 72 CG2 THR A 4 41.046 -26.965 4.729 1.00 11.70 C ATOM 73 1HG2 THR A 4 40.623 -27.924 4.432 1.00 11.70 H ATOM 74 2HG2 THR A 4 41.247 -26.978 5.801 1.00 11.70 H ATOM 75 3HG2 THR A 4 41.989 -26.821 4.195 1.00 11.70 H ATOM 76 N VAL A 5 41.286 -23.505 2.706 1.00 -6.78 N ATOM 77 H VAL A 5 40.301 -23.413 2.500 1.00 -6.78 H ATOM 78 CA VAL A 5 42.242 -23.033 1.705 1.00 -6.78 C ATOM 79 HA VAL A 5 42.977 -23.814 1.522 1.00 -6.78 H ATOM 80 C VAL A 5 42.960 -21.808 2.258 1.00 -6.78 C ATOM 81 O VAL A 5 44.176 -21.683 2.146 1.00 -6.78 O ATOM 82 CB VAL A 5 41.522 -22.679 0.367 1.00 -6.78 C ATOM 83 HB VAL A 5 40.799 -21.889 0.559 1.00 -6.78 H ATOM 84 CG1 VAL A 5 42.499 -22.179 -0.705 1.00 -6.78 C ATOM 85 1HG1 VAL A 5 41.951 -21.910 -1.608 1.00 -6.78 H ATOM 86 2HG1 VAL A 5 43.226 -22.950 -0.953 1.00 -6.78 H ATOM 87 3HG1 VAL A 5 43.030 -21.294 -0.354 1.00 -6.78 H ATOM 88 CG2 VAL A 5 40.757 -23.904 -0.167 1.00 -6.78 C ATOM 89 1HG2 VAL A 5 40.303 -23.660 -1.129 1.00 -6.78 H ATOM 90 2HG2 VAL A 5 39.961 -24.186 0.520 1.00 -6.78 H ATOM 91 3HG2 VAL A 5 41.439 -24.745 -0.300 1.00 -6.78 H ATOM 92 N VAL A 6 42.219 -20.916 2.900 1.00 -4.19 N ATOM 93 H VAL A 6 41.220 -21.058 2.985 1.00 -4.19 H ATOM 94 CA VAL A 6 42.827 -19.706 3.449 1.00 -4.19 C ATOM 95 HA VAL A 6 43.363 -19.220 2.641 1.00 -4.19 H ATOM 96 C VAL A 6 43.850 -20.035 4.537 1.00 -4.19 C ATOM 97 O VAL A 6 44.995 -19.588 4.463 1.00 -4.19 O ATOM 98 CB VAL A 6 41.754 -18.711 3.987 1.00 -4.19 C ATOM 99 HB VAL A 6 41.175 -19.208 4.765 1.00 -4.19 H ATOM 100 CG1 VAL A 6 42.397 -17.450 4.585 1.00 -4.19 C ATOM 101 1HG1 VAL A 6 41.622 -16.757 4.915 1.00 -4.19 H ATOM 102 2HG1 VAL A 6 43.025 -16.953 3.844 1.00 -4.19 H ATOM 103 3HG1 VAL A 6 43.010 -17.711 5.450 1.00 -4.19 H ATOM 104 CG2 VAL A 6 40.794 -18.289 2.860 1.00 -4.19 C ATOM 105 1HG2 VAL A 6 40.034 -17.615 3.257 1.00 -4.19 H ATOM 106 2HG2 VAL A 6 40.293 -19.155 2.433 1.00 -4.19 H ATOM 107 3HG2 VAL A 6 41.340 -17.775 2.069 1.00 -4.19 H ATOM 108 N ALA A 7 43.460 -20.816 5.535 1.00 8.52 N ATOM 109 H ALA A 7 42.520 -21.201 5.545 1.00 8.52 H ATOM 110 CA ALA A 7 44.344 -21.084 6.664 1.00 8.52 C ATOM 111 HA ALA A 7 44.827 -20.149 6.952 1.00 8.52 H ATOM 112 C ALA A 7 45.447 -22.091 6.335 1.00 8.52 C ATOM 113 O ALA A 7 46.584 -21.925 6.747 1.00 8.52 O ATOM 114 CB ALA A 7 43.507 -21.584 7.850 1.00 8.52 C ATOM 115 1HB ALA A 7 42.765 -20.834 8.121 1.00 8.52 H ATOM 116 2HB ALA A 7 44.165 -21.760 8.703 1.00 8.52 H ATOM 117 3HB ALA A 7 43.006 -22.517 7.589 1.00 8.52 H ATOM 118 N GLY A 8 45.104 -23.146 5.613 1.00 4.88 N ATOM 119 H GLY A 8 44.162 -23.244 5.251 1.00 4.88 H ATOM 120 CA GLY A 8 46.047 -24.225 5.371 1.00 4.88 C ATOM 121 1HA GLY A 8 46.641 -24.391 6.270 1.00 4.88 H ATOM 122 2HA GLY A 8 45.486 -25.134 5.157 1.00 4.88 H ATOM 123 C GLY A 8 46.989 -23.970 4.219 1.00 4.88 C ATOM 124 O GLY A 8 48.095 -24.508 4.195 1.00 4.88 O ATOM 125 N TYR A 9 46.574 -23.163 3.251 1.00 4.64 N ATOM 126 H TYR A 9 45.655 -22.743 3.303 1.00 4.64 H ATOM 127 CA TYR A 9 47.420 -22.899 2.089 1.00 4.64 C ATOM 128 HA TYR A 9 48.367 -23.415 2.226 1.00 4.64 H ATOM 129 C TYR A 9 47.756 -21.431 1.894 1.00 4.64 C ATOM 130 O TYR A 9 48.922 -21.100 1.734 1.00 4.64 O ATOM 131 CB TYR A 9 46.781 -23.450 0.808 1.00 4.64 C ATOM 132 1HB TYR A 9 45.923 -22.831 0.552 1.00 4.64 H ATOM 133 2HB TYR A 9 47.503 -23.369 -0.002 1.00 4.64 H ATOM 134 CG TYR A 9 46.304 -24.889 0.903 1.00 4.64 C ATOM 135 CD1 TYR A 9 45.034 -25.245 0.406 1.00 4.64 C ATOM 136 HD1 TYR A 9 44.418 -24.499 -0.066 1.00 4.64 H ATOM 137 CD2 TYR A 9 47.097 -25.899 1.494 1.00 4.64 C ATOM 138 HD2 TYR A 9 48.075 -25.661 1.886 1.00 4.64 H ATOM 139 CE1 TYR A 9 44.548 -26.572 0.526 1.00 4.64 C ATOM 140 HE1 TYR A 9 43.571 -26.832 0.149 1.00 4.64 H ATOM 141 CE2 TYR A 9 46.609 -27.228 1.621 1.00 4.64 C ATOM 142 HE2 TYR A 9 47.212 -27.985 2.100 1.00 4.64 H ATOM 143 CZ TYR A 9 45.334 -27.546 1.142 1.00 4.64 C ATOM 144 OH TYR A 9 44.837 -28.818 1.266 1.00 4.64 O ATOM 145 HH TYR A 9 45.434 -29.413 1.724 1.00 4.64 H ATOM 146 N ASN A 10 46.783 -20.533 1.887 1.00 23.96 N ATOM 147 H ASN A 10 45.822 -20.819 2.073 1.00 23.96 H ATOM 148 CA ASN A 10 47.077 -19.147 1.511 1.00 23.96 C ATOM 149 HA ASN A 10 47.623 -19.171 0.569 1.00 23.96 H ATOM 150 C ASN A 10 47.971 -18.465 2.534 1.00 23.96 C ATOM 151 O ASN A 10 48.882 -17.728 2.159 1.00 23.96 O ATOM 152 CB ASN A 10 45.809 -18.318 1.298 1.00 23.96 C ATOM 153 1HB ASN A 10 45.194 -18.362 2.189 1.00 23.96 H ATOM 154 2HB ASN A 10 46.095 -17.280 1.137 1.00 23.96 H ATOM 155 CG ASN A 10 45.011 -18.775 0.102 1.00 23.96 C ATOM 156 OD1 ASN A 10 45.504 -19.493 -0.750 1.00 23.96 O ATOM 157 ND2 ASN A 10 43.781 -18.350 0.019 1.00 23.96 N ATOM 158 1HD2 ASN A 10 43.233 -18.639 -0.776 1.00 23.96 H ATOM 159 2HD2 ASN A 10 43.403 -17.742 0.722 1.00 23.96 H ATOM 160 N LEU A 11 47.774 -18.778 3.806 1.00 16.57 N ATOM 161 H LEU A 11 46.994 -19.386 4.054 1.00 16.57 H ATOM 162 CA LEU A 11 48.609 -18.254 4.885 1.00 16.57 C ATOM 163 HA LEU A 11 48.519 -17.174 4.910 1.00 16.57 H ATOM 164 C LEU A 11 50.085 -18.593 4.699 1.00 16.57 C ATOM 165 O LEU A 11 50.975 -17.772 4.924 1.00 16.57 O ATOM 166 CB LEU A 11 48.098 -18.841 6.205 1.00 16.57 C ATOM 167 1HB LEU A 11 47.037 -18.605 6.279 1.00 16.57 H ATOM 168 2HB LEU A 11 48.185 -19.925 6.135 1.00 16.57 H ATOM 169 CG LEU A 11 48.765 -18.423 7.524 1.00 16.57 C ATOM 170 HG LEU A 11 49.805 -18.745 7.505 1.00 16.57 H ATOM 171 CD1 LEU A 11 48.731 -16.912 7.754 1.00 16.57 C ATOM 172 1HD1 LEU A 11 49.151 -16.681 8.734 1.00 16.57 H ATOM 173 2HD1 LEU A 11 47.705 -16.546 7.708 1.00 16.57 H ATOM 174 3HD1 LEU A 11 49.334 -16.409 6.999 1.00 16.57 H ATOM 175 CD2 LEU A 11 48.064 -19.128 8.680 1.00 16.57 C ATOM 176 1HD2 LEU A 11 48.585 -18.915 9.612 1.00 16.57 H ATOM 177 2HD2 LEU A 11 48.073 -20.208 8.517 1.00 16.57 H ATOM 178 3HD2 LEU A 11 47.030 -18.793 8.761 1.00 16.57 H ATOM 179 N TYR A 12 50.350 -19.799 4.227 1.00 10.46 N ATOM 180 H TYR A 12 49.587 -20.419 3.990 1.00 10.46 H ATOM 181 CA TYR A 12 51.719 -20.277 4.101 1.00 10.46 C ATOM 182 HA TYR A 12 52.346 -19.690 4.769 1.00 10.46 H ATOM 183 C TYR A 12 52.293 -20.135 2.697 1.00 10.46 C ATOM 184 O TYR A 12 53.467 -20.449 2.481 1.00 10.46 O ATOM 185 CB TYR A 12 51.782 -21.728 4.572 1.00 10.46 C ATOM 186 1HB TYR A 12 51.170 -22.346 3.914 1.00 10.46 H ATOM 187 2HB TYR A 12 52.812 -22.077 4.521 1.00 10.46 H ATOM 188 CG TYR A 12 51.284 -21.872 5.994 1.00 10.46 C ATOM 189 CD1 TYR A 12 50.059 -22.514 6.267 1.00 10.46 C ATOM 190 HD1 TYR A 12 49.469 -22.923 5.463 1.00 10.46 H ATOM 191 CD2 TYR A 12 52.022 -21.345 7.076 1.00 10.46 C ATOM 192 HD2 TYR A 12 52.963 -20.849 6.898 1.00 10.46 H ATOM 193 CE1 TYR A 12 49.578 -22.623 7.597 1.00 10.46 C ATOM 194 HE1 TYR A 12 48.634 -23.110 7.795 1.00 10.46 H ATOM 195 CE2 TYR A 12 51.535 -21.448 8.408 1.00 10.46 C ATOM 196 HE2 TYR A 12 52.099 -21.032 9.227 1.00 10.46 H ATOM 197 CZ TYR A 12 50.317 -22.090 8.651 1.00 10.46 C ATOM 198 OH TYR A 12 49.835 -22.189 9.931 1.00 10.46 O ATOM 199 HH TYR A 12 50.415 -21.785 10.578 1.00 10.46 H ATOM 200 N ARG A 13 51.479 -19.679 1.753 1.00 -9.96 N ATOM 201 H ARG A 13 50.525 -19.443 2.011 1.00 -9.96 H ATOM 202 CA ARG A 13 51.885 -19.553 0.345 1.00 -9.96 C ATOM 203 HA ARG A 13 52.969 -19.658 0.282 1.00 -9.96 H ATOM 204 C ARG A 13 51.526 -18.206 -0.270 1.00 -9.96 C ATOM 205 O ARG A 13 52.411 -17.422 -0.571 1.00 -9.96 O ATOM 206 CB ARG A 13 51.243 -20.669 -0.498 1.00 -9.96 C ATOM 207 1HB ARG A 13 50.163 -20.536 -0.481 1.00 -9.96 H ATOM 208 2HB ARG A 13 51.577 -20.566 -1.531 1.00 -9.96 H ATOM 209 CG ARG A 13 51.534 -22.099 -0.033 1.00 -9.96 C ATOM 210 1HG ARG A 13 52.586 -22.338 -0.191 1.00 -9.96 H ATOM 211 2HG ARG A 13 51.305 -22.188 1.028 1.00 -9.96 H ATOM 212 CD ARG A 13 50.651 -23.087 -0.782 1.00 -9.96 C ATOM 213 1HD ARG A 13 49.621 -22.732 -0.735 1.00 -9.96 H ATOM 214 2HD ARG A 13 50.963 -23.130 -1.827 1.00 -9.96 H ATOM 215 NE ARG A 13 50.714 -24.429 -0.183 1.00 -9.96 N ATOM 216 HE ARG A 13 51.360 -24.548 0.581 1.00 -9.96 H ATOM 217 CZ ARG A 13 49.990 -25.484 -0.537 1.00 -9.96 C ATOM 218 NH1 ARG A 13 50.154 -26.603 0.113 1.00 -9.96 N ATOM 219 1HH1 ARG A 13 50.823 -26.662 0.864 1.00 -9.96 H ATOM 220 2HH1 ARG A 13 49.603 -27.410 -0.131 1.00 -9.96 H ATOM 221 NH2 ARG A 13 49.104 -25.469 -1.502 1.00 -9.96 N ATOM 222 1HH2 ARG A 13 48.959 -24.624 -2.031 1.00 -9.96 H ATOM 223 2HH2 ARG A 13 48.562 -26.293 -1.710 1.00 -9.96 H ATOM 224 N ALA A 14 50.245 -17.937 -0.469 1.00 8.25 N ATOM 225 H ALA A 14 49.551 -18.585 -0.139 1.00 8.25 H ATOM 226 CA ALA A 14 49.796 -16.753 -1.207 1.00 8.25 C ATOM 227 HA ALA A 14 50.330 -16.729 -2.160 1.00 8.25 H ATOM 228 C ALA A 14 50.070 -15.415 -0.513 1.00 8.25 C ATOM 229 O ALA A 14 50.403 -14.439 -1.164 1.00 8.25 O ATOM 230 CB ALA A 14 48.298 -16.888 -1.509 1.00 8.25 C ATOM 231 1HB ALA A 14 48.099 -17.828 -2.025 1.00 8.25 H ATOM 232 2HB ALA A 14 47.991 -16.062 -2.154 1.00 8.25 H ATOM 233 3HB ALA A 14 47.724 -16.843 -0.586 1.00 8.25 H ATOM 234 N ILE A 15 49.959 -15.360 0.808 1.00 7.52 N ATOM 235 H ILE A 15 49.654 -16.180 1.330 1.00 7.52 H ATOM 236 CA ILE A 15 50.231 -14.108 1.526 1.00 7.52 C ATOM 237 HA ILE A 15 49.663 -13.306 1.054 1.00 7.52 H ATOM 238 C ILE A 15 51.717 -13.764 1.360 1.00 7.52 C ATOM 239 O ILE A 15 52.110 -12.594 1.310 1.00 7.52 O ATOM 240 CB ILE A 15 49.783 -14.198 3.026 1.00 7.52 C ATOM 241 HB ILE A 15 50.271 -15.054 3.494 1.00 7.52 H ATOM 242 CG1 ILE A 15 48.252 -14.399 3.077 1.00 7.52 C ATOM 243 1HG1 ILE A 15 47.783 -13.562 2.558 1.00 7.52 H ATOM 244 2HG1 ILE A 15 47.998 -15.306 2.532 1.00 7.52 H ATOM 245 CG2 ILE A 15 50.177 -12.917 3.817 1.00 7.52 C ATOM 246 1HG2 ILE A 15 49.897 -13.017 4.866 1.00 7.52 H ATOM 247 2HG2 ILE A 15 49.679 -12.043 3.394 1.00 7.52 H ATOM 248 3HG2 ILE A 15 51.255 -12.768 3.782 1.00 7.52 H ATOM 249 CD1 ILE A 15 47.615 -14.498 4.474 1.00 7.52 C ATOM 250 1HD1 ILE A 15 46.610 -14.910 4.386 1.00 7.52 H ATOM 251 2HD1 ILE A 15 47.549 -13.507 4.924 1.00 7.52 H ATOM 252 3HD1 ILE A 15 48.211 -15.142 5.117 1.00 7.52 H ATOM 253 N LYS A 16 52.554 -14.782 1.217 1.00-17.19 N ATOM 254 H LYS A 16 52.189 -15.721 1.232 1.00-17.19 H ATOM 255 CA LYS A 16 53.980 -14.562 0.973 1.00-17.19 C ATOM 256 HA LYS A 16 54.323 -13.736 1.595 1.00-17.19 H ATOM 257 C LYS A 16 54.208 -14.186 -0.491 1.00-17.19 C ATOM 258 O LYS A 16 54.800 -13.145 -0.780 1.00-17.19 O ATOM 259 CB LYS A 16 54.780 -15.822 1.320 1.00-17.19 C ATOM 260 1HB LYS A 16 54.458 -16.630 0.668 1.00-17.19 H ATOM 261 2HB LYS A 16 55.837 -15.634 1.132 1.00-17.19 H ATOM 262 CG LYS A 16 54.606 -16.288 2.762 1.00-17.19 C ATOM 263 1HG LYS A 16 55.004 -15.537 3.445 1.00-17.19 H ATOM 264 2HG LYS A 16 53.548 -16.440 2.972 1.00-17.19 H ATOM 265 CD LYS A 16 55.320 -17.607 2.967 1.00-17.19 C ATOM 266 1HD LYS A 16 54.948 -18.314 2.226 1.00-17.19 H ATOM 267 2HD LYS A 16 56.393 -17.473 2.821 1.00-17.19 H ATOM 268 CE LYS A 16 55.053 -18.165 4.358 1.00-17.19 C ATOM 269 1HE LYS A 16 55.538 -17.535 5.106 1.00-17.19 H ATOM 270 2HE LYS A 16 53.975 -18.167 4.540 1.00-17.19 H ATOM 271 NZ LYS A 16 55.569 -19.574 4.438 1.00-17.19 N ATOM 272 1HZ LYS A 16 55.406 -19.953 5.361 1.00-17.19 H ATOM 273 2HZ LYS A 16 56.559 -19.592 4.236 1.00-17.19 H ATOM 274 3HZ LYS A 16 55.079 -20.145 3.753 1.00-17.19 H ATOM 275 N LYS A 17 53.730 -15.023 -1.404 1.00 7.73 N ATOM 276 H LYS A 17 53.221 -15.849 -1.100 1.00 7.73 H ATOM 277 CA LYS A 17 53.888 -14.809 -2.844 1.00 7.73 C ATOM 278 HA LYS A 17 54.834 -14.294 -3.010 1.00 7.73 H ATOM 279 C LYS A 17 52.782 -13.909 -3.380 1.00 7.73 C ATOM 280 O LYS A 17 51.775 -14.360 -3.931 1.00 7.73 O ATOM 281 CB LYS A 17 53.931 -16.137 -3.615 1.00 7.73 C ATOM 282 1HB LYS A 17 54.691 -16.773 -3.162 1.00 7.73 H ATOM 283 2HB LYS A 17 52.969 -16.640 -3.513 1.00 7.73 H ATOM 284 CG LYS A 17 54.274 -15.957 -5.107 1.00 7.73 C ATOM 285 1HG LYS A 17 54.474 -14.902 -5.295 1.00 7.73 H ATOM 286 2HG LYS A 17 55.181 -16.517 -5.334 1.00 7.73 H ATOM 287 CD LYS A 17 53.150 -16.435 -6.042 1.00 7.73 C ATOM 288 1HD LYS A 17 53.395 -17.438 -6.391 1.00 7.73 H ATOM 289 2HD LYS A 17 52.210 -16.484 -5.492 1.00 7.73 H ATOM 290 CE LYS A 17 52.945 -15.517 -7.253 1.00 7.73 C ATOM 291 1HE LYS A 17 53.902 -15.360 -7.755 1.00 7.73 H ATOM 292 2HE LYS A 17 52.266 -16.013 -7.947 1.00 7.73 H ATOM 293 NZ LYS A 17 52.354 -14.185 -6.876 1.00 7.73 N ATOM 294 1HZ LYS A 17 52.015 -13.684 -7.685 1.00 7.73 H ATOM 295 2HZ LYS A 17 53.051 -13.591 -6.427 1.00 7.73 H ATOM 296 3HZ LYS A 17 51.594 -14.301 -6.214 1.00 7.73 H ATOM 297 N LYS A 18 53.031 -12.622 -3.239 1.00-12.38 N ATOM 298 H LYS A 18 53.874 -12.348 -2.761 1.00-12.38 H ATOM 299 CA LYS A 18 52.196 -11.582 -3.829 1.00-12.38 C ATOM 300 HA LYS A 18 51.140 -11.822 -3.699 1.00-12.38 H ATOM 301 C LYS A 18 52.531 -11.597 -5.310 1.00-12.38 C ATOM 302 O LYS A 18 53.677 -12.011 -5.599 1.00-12.38 O ATOM 303 OXT LYS A 18 51.649 -11.385 -6.156 1.00-12.38 O ATOM 304 CB LYS A 18 52.526 -10.238 -3.187 1.00-12.38 C ATOM 305 1HB LYS A 18 53.582 -10.028 -3.360 1.00-12.38 H ATOM 306 2HB LYS A 18 51.931 -9.455 -3.659 1.00-12.38 H ATOM 307 CG LYS A 18 52.267 -10.249 -1.687 1.00-12.38 C ATOM 308 1HG LYS A 18 51.203 -10.400 -1.502 1.00-12.38 H ATOM 309 2HG LYS A 18 52.818 -11.074 -1.244 1.00-12.38 H ATOM 310 CD LYS A 18 52.723 -8.959 -1.032 1.00-12.38 C ATOM 311 1HD LYS A 18 53.769 -8.782 -1.284 1.00-12.38 H ATOM 312 2HD LYS A 18 52.122 -8.131 -1.410 1.00-12.38 H ATOM 313 CE LYS A 18 52.585 -9.044 0.485 1.00-12.38 C ATOM 314 1HE LYS A 18 52.855 -8.080 0.918 1.00-12.38 H ATOM 315 2HE LYS A 18 51.543 -9.263 0.734 1.00-12.38 H ATOM 316 NZ LYS A 18 53.467 -10.120 1.061 1.00-12.38 N ATOM 317 1HZ LYS A 18 53.462 -10.073 2.069 1.00-12.38 H ATOM 318 2HZ LYS A 18 54.411 -10.024 0.715 1.00-12.38 H ATOM 319 3HZ LYS A 18 53.107 -11.034 0.790 1.00-12.38 H TER 320 LYS A 18 END
SEQUENCE	VIRTVVAGYNLYRAIKKK
HELICITY	72.20	INSTAB. INDEX	-9.38	FLEXIBILITY	9.17
a HYD. MOM.	38.52	b HYD. MOM.	15.89	c HYD. MOM	4.78
a MEAN HYD. MOM.	2.14	b MEAN HYD. MOM.	0.88	c MEAN HYD. MOM.	0.27
CHARGE pH5	5.00	CHARGE pH7	5.00	CHARGE pH9	4.56
Δ CHARGE pH5-pH9	0.45	ISOELECTRIC POINT	10.56	BOMAN INDEX	1.36
ΔG	9	CPP	0,05	MLP	-6,36
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans	28	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