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ID	1113	NAME	Arenicin-2   Blast NCBI-PROT
LENGTH	21	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\RWCVYAYVRIRGVLVRYRRCW.pdb REMARK YASARA Written on: Wed May 14 12:13:51 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: ARENICIN-1; COMPND 3 CHAIN: A; SEQRES 1 A 21 ARG TRP CYS VAL TYR ALA TYR VAL ARG ILE ARG GLY VAL SEQRES 2 A 21 LEU VAL ARG TYR ARG ARG CYS TRP 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 SSBOND 1 CYS A 3 CYS A 20 2.03 ATOM 1 N ARG A 1 43.399 -3.458 -22.067 1.00-11.48 N ATOM 2 1H ARG A 1 42.425 -3.253 -21.901 1.00-11.48 H ATOM 3 2H ARG A 1 43.980 -2.862 -21.493 1.00-11.48 H ATOM 4 3H ARG A 1 43.585 -4.424 -21.828 1.00-11.48 H ATOM 5 CA ARG A 1 43.728 -3.234 -23.498 1.00-11.48 C ATOM 6 HA ARG A 1 43.144 -3.928 -24.104 1.00-11.48 H ATOM 7 C ARG A 1 45.195 -3.530 -23.714 1.00-11.48 C ATOM 8 O ARG A 1 45.971 -3.310 -22.792 1.00-11.48 O ATOM 9 CB ARG A 1 43.401 -1.799 -23.936 1.00-11.48 C ATOM 10 1HB ARG A 1 44.061 -1.106 -23.415 1.00-11.48 H ATOM 11 2HB ARG A 1 43.603 -1.719 -25.004 1.00-11.48 H ATOM 12 CG ARG A 1 41.950 -1.382 -23.675 1.00-11.48 C ATOM 13 1HG ARG A 1 41.290 -2.232 -23.856 1.00-11.48 H ATOM 14 2HG ARG A 1 41.853 -1.075 -22.633 1.00-11.48 H ATOM 15 CD ARG A 1 41.505 -0.233 -24.577 1.00-11.48 C ATOM 16 1HD ARG A 1 40.636 0.252 -24.132 1.00-11.48 H ATOM 17 2HD ARG A 1 42.314 0.492 -24.677 1.00-11.48 H ATOM 18 NE ARG A 1 41.127 -0.762 -25.892 1.00-11.48 N ATOM 19 HE ARG A 1 41.192 -1.779 -26.018 1.00-11.48 H ATOM 20 CZ ARG A 1 40.690 -0.090 -26.943 1.00-11.48 C ATOM 21 NH1 ARG A 1 40.344 -0.781 -27.987 1.00-11.48 N ATOM 22 1HH1 ARG A 1 40.414 -1.795 -27.940 1.00-11.48 H ATOM 23 2HH1 ARG A 1 40.016 -0.331 -28.823 1.00-11.48 H ATOM 24 NH2 ARG A 1 40.576 1.213 -26.986 1.00-11.48 N ATOM 25 1HH2 ARG A 1 40.846 1.762 -26.189 1.00-11.48 H ATOM 26 2HH2 ARG A 1 40.226 1.662 -27.817 1.00-11.48 H ATOM 27 N TRP A 2 45.555 -4.122 -24.841 1.00 7.57 N ATOM 28 H TRP A 2 44.867 -4.215 -25.601 1.00 7.57 H ATOM 29 CA TRP A 2 46.853 -4.768 -25.032 1.00 7.57 C ATOM 30 HA TRP A 2 47.629 -4.224 -24.493 1.00 7.57 H ATOM 31 C TRP A 2 47.193 -4.813 -26.517 1.00 7.57 C ATOM 32 O TRP A 2 46.317 -5.044 -27.345 1.00 7.57 O ATOM 33 CB TRP A 2 46.770 -6.211 -24.512 1.00 7.57 C ATOM 34 1HB TRP A 2 47.254 -6.876 -25.227 1.00 7.57 H ATOM 35 2HB TRP A 2 47.301 -6.277 -23.562 1.00 7.57 H ATOM 36 CG TRP A 2 45.341 -6.660 -24.302 1.00 7.57 C ATOM 37 CD1 TRP A 2 44.444 -7.022 -25.257 1.00 7.57 C ATOM 38 HD1 TRP A 2 44.672 -7.071 -26.315 1.00 7.57 H ATOM 39 CD2 TRP A 2 44.615 -6.718 -23.059 1.00 7.57 C ATOM 40 NE1 TRP A 2 43.210 -7.266 -24.723 1.00 7.57 N ATOM 41 HE1 TRP A 2 42.398 -7.541 -25.267 1.00 7.57 H ATOM 42 CE2 TRP A 2 43.268 -7.063 -23.374 1.00 7.57 C ATOM 43 CE3 TRP A 2 44.946 -6.436 -21.717 1.00 7.57 C ATOM 44 HE3 TRP A 2 45.959 -6.167 -21.450 1.00 7.57 H ATOM 45 CZ2 TRP A 2 42.256 -7.121 -22.395 1.00 7.57 C ATOM 46 HZ2 TRP A 2 41.242 -7.382 -22.664 1.00 7.57 H ATOM 47 CZ3 TRP A 2 43.933 -6.513 -20.724 1.00 7.57 C ATOM 48 HZ3 TRP A 2 44.181 -6.323 -19.687 1.00 7.57 H ATOM 49 CH2 TRP A 2 42.596 -6.854 -21.080 1.00 7.57 C ATOM 50 HH2 TRP A 2 41.837 -6.915 -20.311 1.00 7.57 H ATOM 51 N CYS A 3 48.463 -4.623 -26.849 1.00 2.49 N ATOM 52 H CYS A 3 49.141 -4.443 -26.127 1.00 2.49 H ATOM 53 CA CYS A 3 48.932 -4.675 -28.235 1.00 2.49 C ATOM 54 HA CYS A 3 48.094 -4.515 -28.896 1.00 2.49 H ATOM 55 C CYS A 3 49.508 -6.046 -28.573 1.00 2.49 C ATOM 56 O CYS A 3 50.727 -6.237 -28.644 1.00 2.49 O ATOM 57 CB CYS A 3 49.949 -3.563 -28.491 1.00 2.49 C ATOM 58 1HB CYS A 3 50.811 -3.727 -27.846 1.00 2.49 H ATOM 59 2HB CYS A 3 50.280 -3.619 -29.527 1.00 2.49 H ATOM 60 SG CYS A 3 49.294 -1.891 -28.174 1.00 2.49 S ATOM 61 N VAL A 4 48.611 -7.007 -28.731 1.00 -5.16 N ATOM 62 H VAL A 4 47.628 -6.766 -28.680 1.00 -5.16 H ATOM 63 CA VAL A 4 48.982 -8.393 -29.024 1.00 -5.16 C ATOM 64 HA VAL A 4 49.731 -8.718 -28.302 1.00 -5.16 H ATOM 65 C VAL A 4 49.580 -8.460 -30.426 1.00 -5.16 C ATOM 66 O VAL A 4 49.341 -7.567 -31.233 1.00 -5.16 O ATOM 67 CB VAL A 4 47.752 -9.347 -28.931 1.00 -5.16 C ATOM 68 HB VAL A 4 48.101 -10.366 -29.090 1.00 -5.16 H ATOM 69 CG1 VAL A 4 47.119 -9.267 -27.530 1.00 -5.16 C ATOM 70 1HG1 VAL A 4 46.336 -10.021 -27.436 1.00 -5.16 H ATOM 71 2HG1 VAL A 4 46.691 -8.280 -27.348 1.00 -5.16 H ATOM 72 3HG1 VAL A 4 47.876 -9.470 -26.771 1.00 -5.16 H ATOM 73 CG2 VAL A 4 46.691 -9.039 -30.003 1.00 -5.16 C ATOM 74 1HG2 VAL A 4 45.843 -9.710 -29.881 1.00 -5.16 H ATOM 75 2HG2 VAL A 4 47.111 -9.210 -30.996 1.00 -5.16 H ATOM 76 3HG2 VAL A 4 46.364 -8.002 -29.937 1.00 -5.16 H ATOM 77 N TYR A 5 50.329 -9.502 -30.755 1.00-10.43 N ATOM 78 H TYR A 5 50.507 -10.235 -30.090 1.00-10.43 H ATOM 79 CA TYR A 5 50.831 -9.635 -32.121 1.00-10.43 C ATOM 80 HA TYR A 5 51.230 -8.679 -32.455 1.00-10.43 H ATOM 81 C TYR A 5 49.675 -10.020 -33.040 1.00-10.43 C ATOM 82 O TYR A 5 48.703 -10.633 -32.603 1.00-10.43 O ATOM 83 CB TYR A 5 51.930 -10.690 -32.220 1.00-10.43 C ATOM 84 1HB TYR A 5 51.568 -11.625 -31.793 1.00-10.43 H ATOM 85 2HB TYR A 5 52.152 -10.857 -33.274 1.00-10.43 H ATOM 86 CG TYR A 5 53.214 -10.283 -31.532 1.00-10.43 C ATOM 87 CD1 TYR A 5 53.697 -11.003 -30.420 1.00-10.43 C ATOM 88 HD1 TYR A 5 53.134 -11.842 -30.032 1.00-10.43 H ATOM 89 CD2 TYR A 5 53.966 -9.186 -32.004 1.00-10.43 C ATOM 90 HD2 TYR A 5 53.613 -8.617 -32.856 1.00-10.43 H ATOM 91 CE1 TYR A 5 54.927 -10.645 -29.801 1.00-10.43 C ATOM 92 HE1 TYR A 5 55.288 -11.207 -28.950 1.00-10.43 H ATOM 93 CE2 TYR A 5 55.191 -8.825 -31.383 1.00-10.43 C ATOM 94 HE2 TYR A 5 55.765 -7.988 -31.756 1.00-10.43 H ATOM 95 CZ TYR A 5 55.659 -9.561 -30.291 1.00-10.43 C ATOM 96 OH TYR A 5 56.850 -9.211 -29.711 1.00-10.43 O ATOM 97 HH TYR A 5 57.123 -9.818 -29.017 1.00-10.43 H ATOM 98 N ALA A 6 49.789 -9.646 -34.304 1.00 33.99 N ATOM 99 H ALA A 6 50.632 -9.159 -34.612 1.00 33.99 H ATOM 100 CA ALA A 6 48.772 -9.902 -35.312 1.00 33.99 C ATOM 101 HA ALA A 6 48.306 -10.874 -35.144 1.00 33.99 H ATOM 102 C ALA A 6 49.508 -9.903 -36.649 1.00 33.99 C ATOM 103 O ALA A 6 50.737 -9.850 -36.677 1.00 33.99 O ATOM 104 CB ALA A 6 47.708 -8.791 -35.268 1.00 33.99 C ATOM 105 1HB ALA A 6 47.281 -8.749 -34.266 1.00 33.99 H ATOM 106 2HB ALA A 6 46.911 -8.998 -35.982 1.00 33.99 H ATOM 107 3HB ALA A 6 48.166 -7.828 -35.504 1.00 33.99 H ATOM 108 N TYR A 7 48.756 -9.894 -37.736 1.00 2.30 N ATOM 109 H TYR A 7 47.749 -9.952 -37.662 1.00 2.30 H ATOM 110 CA TYR A 7 49.290 -9.689 -39.074 1.00 2.30 C ATOM 111 HA TYR A 7 50.281 -9.245 -39.032 1.00 2.30 H ATOM 112 C TYR A 7 48.300 -8.721 -39.696 1.00 2.30 C ATOM 113 O TYR A 7 47.138 -8.708 -39.285 1.00 2.30 O ATOM 114 CB TYR A 7 49.326 -10.987 -39.885 1.00 2.30 C ATOM 115 1HB TYR A 7 48.327 -11.421 -39.897 1.00 2.30 H ATOM 116 2HB TYR A 7 49.606 -10.739 -40.907 1.00 2.30 H ATOM 117 CG TYR A 7 50.306 -12.019 -39.365 1.00 2.30 C ATOM 118 CD1 TYR A 7 49.948 -12.895 -38.319 1.00 2.30 C ATOM 119 HD1 TYR A 7 48.956 -12.845 -37.893 1.00 2.30 H ATOM 120 CD2 TYR A 7 51.595 -12.134 -39.924 1.00 2.30 C ATOM 121 HD2 TYR A 7 51.887 -11.493 -40.747 1.00 2.30 H ATOM 122 CE1 TYR A 7 50.878 -13.840 -37.808 1.00 2.30 C ATOM 123 HE1 TYR A 7 50.591 -14.496 -37.000 1.00 2.30 H ATOM 124 CE2 TYR A 7 52.525 -13.084 -39.420 1.00 2.30 C ATOM 125 HE2 TYR A 7 53.506 -13.170 -39.862 1.00 2.30 H ATOM 126 CZ TYR A 7 52.161 -13.914 -38.358 1.00 2.30 C ATOM 127 OH TYR A 7 53.067 -14.805 -37.839 1.00 2.30 O ATOM 128 HH TYR A 7 52.657 -15.426 -37.234 1.00 2.30 H ATOM 129 N VAL A 8 48.732 -7.943 -40.674 1.00 13.17 N ATOM 130 H VAL A 8 49.718 -7.975 -40.945 1.00 13.17 H ATOM 131 CA VAL A 8 47.853 -7.038 -41.409 1.00 13.17 C ATOM 132 HA VAL A 8 46.817 -7.329 -41.245 1.00 13.17 H ATOM 133 C VAL A 8 48.192 -7.272 -42.878 1.00 13.17 C ATOM 134 O VAL A 8 49.356 -7.422 -43.243 1.00 13.17 O ATOM 135 CB VAL A 8 48.035 -5.564 -40.928 1.00 13.17 C ATOM 136 HB VAL A 8 47.792 -5.537 -39.866 1.00 13.17 H ATOM 137 CG1 VAL A 8 49.476 -5.082 -41.073 1.00 13.17 C ATOM 138 1HG1 VAL A 8 49.566 -4.062 -40.699 1.00 13.17 H ATOM 139 2HG1 VAL A 8 49.793 -5.113 -42.110 1.00 13.17 H ATOM 140 3HG1 VAL A 8 50.144 -5.716 -40.494 1.00 13.17 H ATOM 141 CG2 VAL A 8 47.069 -4.614 -41.647 1.00 13.17 C ATOM 142 1HG2 VAL A 8 47.174 -3.611 -41.231 1.00 13.17 H ATOM 143 2HG2 VAL A 8 46.042 -4.945 -41.492 1.00 13.17 H ATOM 144 3HG2 VAL A 8 47.289 -4.577 -42.714 1.00 13.17 H ATOM 145 N ARG A 9 47.181 -7.406 -43.728 1.00 -3.84 N ATOM 146 H ARG A 9 46.238 -7.242 -43.412 1.00 -3.84 H ATOM 147 CA ARG A 9 47.407 -7.849 -45.109 1.00 -3.84 C ATOM 148 HA ARG A 9 48.295 -8.473 -45.079 1.00 -3.84 H ATOM 149 C ARG A 9 47.730 -6.734 -46.115 1.00 -3.84 C ATOM 150 O ARG A 9 47.064 -6.568 -47.141 1.00 -3.84 O ATOM 151 CB ARG A 9 46.272 -8.767 -45.571 1.00 -3.84 C ATOM 152 1HB ARG A 9 45.913 -9.337 -44.715 1.00 -3.84 H ATOM 153 2HB ARG A 9 45.447 -8.175 -45.969 1.00 -3.84 H ATOM 154 CG ARG A 9 46.773 -9.745 -46.617 1.00 -3.84 C ATOM 155 1HG ARG A 9 47.038 -9.176 -47.499 1.00 -3.84 H ATOM 156 2HG ARG A 9 47.673 -10.232 -46.241 1.00 -3.84 H ATOM 157 CD ARG A 9 45.781 -10.813 -47.024 1.00 -3.84 C ATOM 158 1HD ARG A 9 45.499 -11.404 -46.152 1.00 -3.84 H ATOM 159 2HD ARG A 9 44.896 -10.341 -47.453 1.00 -3.84 H ATOM 160 NE ARG A 9 46.427 -11.667 -48.030 1.00 -3.84 N ATOM 161 HE ARG A 9 47.387 -11.427 -48.276 1.00 -3.84 H ATOM 162 CZ ARG A 9 45.909 -12.711 -48.657 1.00 -3.84 C ATOM 163 NH1 ARG A 9 46.658 -13.320 -49.531 1.00 -3.84 N ATOM 164 1HH1 ARG A 9 47.593 -12.975 -49.710 1.00 -3.84 H ATOM 165 2HH1 ARG A 9 46.312 -14.120 -50.033 1.00 -3.84 H ATOM 166 NH2 ARG A 9 44.697 -13.162 -48.447 1.00 -3.84 N ATOM 167 1HH2 ARG A 9 44.102 -12.699 -47.781 1.00 -3.84 H ATOM 168 2HH2 ARG A 9 44.362 -13.970 -48.947 1.00 -3.84 H ATOM 169 N ILE A 10 48.747 -5.947 -45.803 1.00-12.33 N ATOM 170 H ILE A 10 49.298 -6.178 -44.983 1.00-12.33 H ATOM 171 CA ILE A 10 49.145 -4.805 -46.630 1.00-12.33 C ATOM 172 HA ILE A 10 48.281 -4.157 -46.773 1.00-12.33 H ATOM 173 C ILE A 10 49.595 -5.326 -47.996 1.00-12.33 C ATOM 174 O ILE A 10 50.475 -6.173 -48.086 1.00-12.33 O ATOM 175 CB ILE A 10 50.292 -3.989 -45.956 1.00-12.33 C ATOM 176 HB ILE A 10 51.123 -4.665 -45.766 1.00-12.33 H ATOM 177 CG1 ILE A 10 49.806 -3.417 -44.609 1.00-12.33 C ATOM 178 1HG1 ILE A 10 49.064 -2.644 -44.809 1.00-12.33 H ATOM 179 2HG1 ILE A 10 49.316 -4.207 -44.048 1.00-12.33 H ATOM 180 CG2 ILE A 10 50.795 -2.847 -46.879 1.00-12.33 C ATOM 181 1HG2 ILE A 10 51.585 -2.282 -46.383 1.00-12.33 H ATOM 182 2HG2 ILE A 10 49.978 -2.169 -47.130 1.00-12.33 H ATOM 183 3HG2 ILE A 10 51.222 -3.270 -47.786 1.00-12.33 H ATOM 184 CD1 ILE A 10 50.902 -2.823 -43.702 1.00-12.33 C ATOM 185 1HD1 ILE A 10 50.463 -2.542 -42.744 1.00-12.33 H ATOM 186 2HD1 ILE A 10 51.336 -1.934 -44.158 1.00-12.33 H ATOM 187 3HD1 ILE A 10 51.684 -3.563 -43.528 1.00-12.33 H ATOM 188 N ARG A 11 48.949 -4.840 -49.055 1.00 -7.13 N ATOM 189 H ARG A 11 48.204 -4.179 -48.890 1.00 -7.13 H ATOM 190 CA ARG A 11 49.227 -5.240 -50.450 1.00 -7.13 C ATOM 191 HA ARG A 11 48.471 -4.785 -51.089 1.00 -7.13 H ATOM 192 C ARG A 11 49.137 -6.751 -50.680 1.00 -7.13 C ATOM 193 O ARG A 11 49.800 -7.293 -51.551 1.00 -7.13 O ATOM 194 CB ARG A 11 50.598 -4.726 -50.924 1.00 -7.13 C ATOM 195 1HB ARG A 11 51.375 -5.160 -50.294 1.00 -7.13 H ATOM 196 2HB ARG A 11 50.758 -5.073 -51.944 1.00 -7.13 H ATOM 197 CG ARG A 11 50.757 -3.209 -50.926 1.00 -7.13 C ATOM 198 1HG ARG A 11 50.067 -2.781 -51.653 1.00 -7.13 H ATOM 199 2HG ARG A 11 50.522 -2.812 -49.941 1.00 -7.13 H ATOM 200 CD ARG A 11 52.189 -2.813 -51.287 1.00 -7.13 C ATOM 201 1HD ARG A 11 52.292 -1.730 -51.217 1.00 -7.13 H ATOM 202 2HD ARG A 11 52.863 -3.267 -50.559 1.00 -7.13 H ATOM 203 NE ARG A 11 52.576 -3.267 -52.634 1.00 -7.13 N ATOM 204 HE ARG A 11 53.006 -4.179 -52.683 1.00 -7.13 H ATOM 205 CZ ARG A 11 52.415 -2.610 -53.776 1.00 -7.13 C ATOM 206 NH1 ARG A 11 52.789 -3.186 -54.883 1.00 -7.13 N ATOM 207 1HH1 ARG A 11 53.190 -4.111 -54.867 1.00 -7.13 H ATOM 208 2HH1 ARG A 11 52.671 -2.713 -55.764 1.00 -7.13 H ATOM 209 NH2 ARG A 11 51.891 -1.412 -53.862 1.00 -7.13 N ATOM 210 1HH2 ARG A 11 51.593 -0.939 -53.025 1.00 -7.13 H ATOM 211 2HH2 ARG A 11 51.795 -0.962 -54.758 1.00 -7.13 H ATOM 212 N GLY A 12 48.328 -7.436 -49.885 1.00-10.28 N ATOM 213 H GLY A 12 47.819 -6.959 -49.148 1.00-10.28 H ATOM 214 CA GLY A 12 48.166 -8.874 -50.037 1.00-10.28 C ATOM 215 1HA GLY A 12 47.165 -9.142 -49.707 1.00-10.28 H ATOM 216 2HA GLY A 12 48.254 -9.138 -51.091 1.00-10.28 H ATOM 217 C GLY A 12 49.167 -9.701 -49.251 1.00-10.28 C ATOM 218 O GLY A 12 48.983 -10.914 -49.107 1.00-10.28 O ATOM 219 N VAL A 13 50.185 -9.064 -48.693 1.00-17.98 N ATOM 220 H VAL A 13 50.267 -8.054 -48.786 1.00-17.98 H ATOM 221 CA VAL A 13 51.219 -9.737 -47.908 1.00-17.98 C ATOM 222 HA VAL A 13 51.303 -10.780 -48.208 1.00-17.98 H ATOM 223 C VAL A 13 50.804 -9.639 -46.447 1.00-17.98 C ATOM 224 O VAL A 13 50.423 -8.568 -45.996 1.00-17.98 O ATOM 225 CB VAL A 13 52.591 -9.023 -48.100 1.00-17.98 C ATOM 226 HB VAL A 13 52.496 -7.989 -47.775 1.00-17.98 H ATOM 227 CG1 VAL A 13 53.703 -9.690 -47.272 1.00-17.98 C ATOM 228 1HG1 VAL A 13 54.651 -9.183 -47.457 1.00-17.98 H ATOM 229 2HG1 VAL A 13 53.803 -10.741 -47.544 1.00-17.98 H ATOM 230 3HG1 VAL A 13 53.481 -9.607 -46.207 1.00-17.98 H ATOM 231 CG2 VAL A 13 52.988 -9.019 -49.587 1.00-17.98 C ATOM 232 1HG2 VAL A 13 53.966 -8.551 -49.705 1.00-17.98 H ATOM 233 2HG2 VAL A 13 52.265 -8.447 -50.170 1.00-17.98 H ATOM 234 3HG2 VAL A 13 53.031 -10.040 -49.971 1.00-17.98 H ATOM 235 N LEU A 14 50.862 -10.732 -45.700 1.00-19.49 N ATOM 236 H LEU A 14 51.169 -11.603 -46.102 1.00-19.49 H ATOM 237 CA LEU A 14 50.587 -10.681 -44.264 1.00-19.49 C ATOM 238 HA LEU A 14 49.773 -9.983 -44.076 1.00-19.49 H ATOM 239 C LEU A 14 51.825 -10.149 -43.548 1.00-19.49 C ATOM 240 O LEU A 14 52.742 -10.893 -43.210 1.00-19.49 O ATOM 241 CB LEU A 14 50.211 -12.063 -43.719 1.00-19.49 C ATOM 242 1HB LEU A 14 50.964 -12.772 -44.062 1.00-19.49 H ATOM 243 2HB LEU A 14 50.272 -12.026 -42.634 1.00-19.49 H ATOM 244 CG LEU A 14 48.824 -12.612 -44.083 1.00-19.49 C ATOM 245 HG LEU A 14 48.701 -12.566 -45.165 1.00-19.49 H ATOM 246 CD1 LEU A 14 48.723 -14.071 -43.649 1.00-19.49 C ATOM 247 1HD1 LEU A 14 47.750 -14.475 -43.924 1.00-19.49 H ATOM 248 2HD1 LEU A 14 48.853 -14.155 -42.567 1.00-19.49 H ATOM 249 3HD1 LEU A 14 49.497 -14.659 -44.144 1.00-19.49 H ATOM 250 CD2 LEU A 14 47.689 -11.815 -43.428 1.00-19.49 C ATOM 251 1HD2 LEU A 14 46.727 -12.220 -43.741 1.00-19.49 H ATOM 252 2HD2 LEU A 14 47.744 -10.769 -43.720 1.00-19.49 H ATOM 253 3HD2 LEU A 14 47.763 -11.883 -42.342 1.00-19.49 H ATOM 254 N VAL A 15 51.855 -8.844 -43.345 1.00-16.16 N ATOM 255 H VAL A 15 51.071 -8.273 -43.656 1.00-16.16 H ATOM 256 CA VAL A 15 52.959 -8.185 -42.661 1.00-16.16 C ATOM 257 HA VAL A 15 53.902 -8.644 -42.957 1.00-16.16 H ATOM 258 C VAL A 15 52.707 -8.427 -41.181 1.00-16.16 C ATOM 259 O VAL A 15 51.617 -8.140 -40.687 1.00-16.16 O ATOM 260 CB VAL A 15 52.985 -6.664 -42.981 1.00-16.16 C ATOM 261 HB VAL A 15 52.038 -6.224 -42.672 1.00-16.16 H ATOM 262 CG1 VAL A 15 54.121 -5.949 -42.236 1.00-16.16 C ATOM 263 1HG1 VAL A 15 54.100 -4.885 -42.472 1.00-16.16 H ATOM 264 2HG1 VAL A 15 55.088 -6.362 -42.527 1.00-16.16 H ATOM 265 3HG1 VAL A 15 53.992 -6.060 -41.158 1.00-16.16 H ATOM 266 CG2 VAL A 15 53.145 -6.444 -44.497 1.00-16.16 C ATOM 267 1HG2 VAL A 15 53.220 -5.377 -44.708 1.00-16.16 H ATOM 268 2HG2 VAL A 15 52.278 -6.837 -45.029 1.00-16.16 H ATOM 269 3HG2 VAL A 15 54.044 -6.943 -44.860 1.00-16.16 H ATOM 270 N ARG A 16 53.673 -8.998 -40.475 1.00 -4.96 N ATOM 271 H ARG A 16 54.543 -9.229 -40.926 1.00 -4.96 H ATOM 272 CA ARG A 16 53.502 -9.276 -39.047 1.00 -4.96 C ATOM 273 HA ARG A 16 52.532 -9.753 -38.902 1.00 -4.96 H ATOM 274 C ARG A 16 53.499 -7.950 -38.303 1.00 -4.96 C ATOM 275 O ARG A 16 54.298 -7.069 -38.601 1.00 -4.96 O ATOM 276 CB ARG A 16 54.598 -10.212 -38.540 1.00 -4.96 C ATOM 277 1HB ARG A 16 54.693 -11.035 -39.248 1.00 -4.96 H ATOM 278 2HB ARG A 16 55.545 -9.674 -38.502 1.00 -4.96 H ATOM 279 CG ARG A 16 54.289 -10.798 -37.170 1.00 -4.96 C ATOM 280 1HG ARG A 16 54.294 -10.004 -36.423 1.00 -4.96 H ATOM 281 2HG ARG A 16 53.298 -11.252 -37.196 1.00 -4.96 H ATOM 282 CD ARG A 16 55.305 -11.863 -36.788 1.00 -4.96 C ATOM 283 1HD ARG A 16 55.357 -12.597 -37.594 1.00 -4.96 H ATOM 284 2HD ARG A 16 56.287 -11.404 -36.672 1.00 -4.96 H ATOM 285 NE ARG A 16 54.918 -12.551 -35.546 1.00 -4.96 N ATOM 286 HE ARG A 16 54.400 -13.408 -35.665 1.00 -4.96 H ATOM 287 CZ ARG A 16 55.188 -12.161 -34.307 1.00 -4.96 C ATOM 288 NH1 ARG A 16 54.749 -12.881 -33.313 1.00 -4.96 N ATOM 289 1HH1 ARG A 16 54.232 -13.726 -33.489 1.00 -4.96 H ATOM 290 2HH1 ARG A 16 54.918 -12.584 -32.366 1.00 -4.96 H ATOM 291 NH2 ARG A 16 55.869 -11.080 -34.017 1.00 -4.96 N ATOM 292 1HH2 ARG A 16 56.242 -10.516 -34.763 1.00 -4.96 H ATOM 293 2HH2 ARG A 16 56.014 -10.813 -33.057 1.00 -4.96 H ATOM 294 N TYR A 17 52.570 -7.802 -37.377 1.00 35.96 N ATOM 295 H TYR A 17 52.004 -8.603 -37.100 1.00 35.96 H ATOM 296 CA TYR A 17 52.223 -6.510 -36.807 1.00 35.96 C ATOM 297 HA TYR A 17 53.067 -5.824 -36.882 1.00 35.96 H ATOM 298 C TYR A 17 51.820 -6.665 -35.347 1.00 35.96 C ATOM 299 O TYR A 17 51.934 -7.755 -34.777 1.00 35.96 O ATOM 300 CB TYR A 17 51.048 -5.969 -37.625 1.00 35.96 C ATOM 301 1HB TYR A 17 50.951 -6.588 -38.516 1.00 35.96 H ATOM 302 2HB TYR A 17 50.119 -6.060 -37.064 1.00 35.96 H ATOM 303 CG TYR A 17 51.238 -4.543 -38.081 1.00 35.96 C ATOM 304 CD1 TYR A 17 52.237 -4.224 -39.025 1.00 35.96 C ATOM 305 HD1 TYR A 17 52.891 -5.001 -39.400 1.00 35.96 H ATOM 306 CD2 TYR A 17 50.406 -3.509 -37.607 1.00 35.96 C ATOM 307 HD2 TYR A 17 49.628 -3.725 -36.887 1.00 35.96 H ATOM 308 CE1 TYR A 17 52.390 -2.899 -39.505 1.00 35.96 C ATOM 309 HE1 TYR A 17 53.152 -2.666 -40.234 1.00 35.96 H ATOM 310 CE2 TYR A 17 50.560 -2.177 -38.083 1.00 35.96 C ATOM 311 HE2 TYR A 17 49.915 -1.393 -37.717 1.00 35.96 H ATOM 312 CZ TYR A 17 51.547 -1.891 -39.034 1.00 35.96 C ATOM 313 OH TYR A 17 51.692 -0.617 -39.519 1.00 35.96 O ATOM 314 HH TYR A 17 51.073 0.000 -39.127 1.00 35.96 H ATOM 315 N ARG A 18 51.279 -5.607 -34.761 1.00 2.04 N ATOM 316 H ARG A 18 51.233 -4.725 -35.262 1.00 2.04 H ATOM 317 CA ARG A 18 50.593 -5.688 -33.473 1.00 2.04 C ATOM 318 HA ARG A 18 50.480 -6.726 -33.174 1.00 2.04 H ATOM 319 C ARG A 18 49.214 -5.092 -33.664 1.00 2.04 C ATOM 320 O ARG A 18 49.050 -4.168 -34.451 1.00 2.04 O ATOM 321 CB ARG A 18 51.313 -4.916 -32.366 1.00 2.04 C ATOM 322 1HB ARG A 18 51.510 -3.901 -32.714 1.00 2.04 H ATOM 323 2HB ARG A 18 50.639 -4.856 -31.512 1.00 2.04 H ATOM 324 CG ARG A 18 52.608 -5.539 -31.878 1.00 2.04 C ATOM 325 1HG ARG A 18 52.410 -6.551 -31.525 1.00 2.04 H ATOM 326 2HG ARG A 18 53.335 -5.571 -32.690 1.00 2.04 H ATOM 327 CD ARG A 18 53.153 -4.697 -30.730 1.00 2.04 C ATOM 328 1HD ARG A 18 53.296 -3.678 -31.091 1.00 2.04 H ATOM 329 2HD ARG A 18 52.414 -4.672 -29.928 1.00 2.04 H ATOM 330 NE ARG A 18 54.431 -5.189 -30.195 1.00 2.04 N ATOM 331 HE ARG A 18 55.262 -4.785 -30.596 1.00 2.04 H ATOM 332 CZ ARG A 18 54.591 -6.075 -29.219 1.00 2.04 C ATOM 333 NH1 ARG A 18 55.805 -6.340 -28.825 1.00 2.04 N ATOM 334 1HH1 ARG A 18 56.592 -5.872 -29.243 1.00 2.04 H ATOM 335 2HH1 ARG A 18 55.962 -7.012 -28.091 1.00 2.04 H ATOM 336 NH2 ARG A 18 53.612 -6.694 -28.608 1.00 2.04 N ATOM 337 1HH2 ARG A 18 52.644 -6.489 -28.853 1.00 2.04 H ATOM 338 2HH2 ARG A 18 53.802 -7.362 -27.883 1.00 2.04 H ATOM 339 N ARG A 19 48.246 -5.597 -32.918 1.00 -3.56 N ATOM 340 H ARG A 19 48.470 -6.376 -32.294 1.00 -3.56 H ATOM 341 CA ARG A 19 46.884 -5.070 -32.898 1.00 -3.56 C ATOM 342 HA ARG A 19 46.801 -4.211 -33.565 1.00 -3.56 H ATOM 343 C ARG A 19 46.610 -4.634 -31.474 1.00 -3.56 C ATOM 344 O ARG A 19 46.485 -5.473 -30.587 1.00 -3.56 O ATOM 345 CB ARG A 19 45.886 -6.149 -33.328 1.00 -3.56 C ATOM 346 1HB ARG A 19 46.164 -6.487 -34.325 1.00 -3.56 H ATOM 347 2HB ARG A 19 45.969 -6.992 -32.643 1.00 -3.56 H ATOM 348 CG ARG A 19 44.431 -5.686 -33.367 1.00 -3.56 C ATOM 349 1HG ARG A 19 44.103 -5.423 -32.361 1.00 -3.56 H ATOM 350 2HG ARG A 19 44.356 -4.806 -34.007 1.00 -3.56 H ATOM 351 CD ARG A 19 43.523 -6.781 -33.926 1.00 -3.56 C ATOM 352 1HD ARG A 19 42.517 -6.380 -34.054 1.00 -3.56 H ATOM 353 2HD ARG A 19 43.900 -7.073 -34.908 1.00 -3.56 H ATOM 354 NE ARG A 19 43.475 -7.974 -33.061 1.00 -3.56 N ATOM 355 HE ARG A 19 44.179 -8.673 -33.232 1.00 -3.56 H ATOM 356 CZ ARG A 19 42.605 -8.213 -32.088 1.00 -3.56 C ATOM 357 NH1 ARG A 19 42.733 -9.309 -31.393 1.00 -3.56 N ATOM 358 1HH1 ARG A 19 43.468 -9.962 -31.603 1.00 -3.56 H ATOM 359 2HH1 ARG A 19 42.095 -9.496 -30.634 1.00 -3.56 H ATOM 360 NH2 ARG A 19 41.608 -7.421 -31.788 1.00 -3.56 N ATOM 361 1HH2 ARG A 19 41.474 -6.570 -32.309 1.00 -3.56 H ATOM 362 2HH2 ARG A 19 40.992 -7.646 -31.023 1.00 -3.56 H ATOM 363 N CYS A 20 46.543 -3.334 -31.253 1.00 -0.92 N ATOM 364 H CYS A 20 46.700 -2.682 -32.003 1.00 -0.92 H ATOM 365 CA CYS A 20 46.154 -2.814 -29.951 1.00 -0.92 C ATOM 366 HA CYS A 20 46.536 -3.447 -29.165 1.00 -0.92 H ATOM 367 C CYS A 20 44.634 -2.840 -29.909 1.00 -0.92 C ATOM 368 O CYS A 20 43.987 -2.319 -30.815 1.00 -0.92 O ATOM 369 CB CYS A 20 46.694 -1.397 -29.764 1.00 -0.92 C ATOM 370 1HB CYS A 20 46.229 -0.753 -30.512 1.00 -0.92 H ATOM 371 2HB CYS A 20 46.407 -1.034 -28.777 1.00 -0.92 H ATOM 372 SG CYS A 20 48.506 -1.273 -29.944 1.00 -0.92 S ATOM 373 N TRP A 21 44.069 -3.468 -28.889 1.00 -9.92 N ATOM 374 H TRP A 21 44.640 -3.903 -28.165 1.00 -9.92 H ATOM 375 CA TRP A 21 42.623 -3.565 -28.726 1.00 -9.92 C ATOM 376 HA TRP A 21 42.150 -2.667 -29.117 1.00 -9.92 H ATOM 377 C TRP A 21 42.371 -3.658 -27.237 1.00 -9.92 C ATOM 378 O TRP A 21 43.366 -3.903 -26.534 1.00 -9.92 O ATOM 379 OXT TRP A 21 41.245 -3.400 -26.774 1.00 -9.92 O ATOM 380 CB TRP A 21 42.071 -4.792 -29.453 1.00 -9.92 C ATOM 381 1HB TRP A 21 40.985 -4.788 -29.364 1.00 -9.92 H ATOM 382 2HB TRP A 21 42.330 -4.713 -30.508 1.00 -9.92 H ATOM 383 CG TRP A 21 42.589 -6.101 -28.926 1.00 -9.92 C ATOM 384 CD1 TRP A 21 43.807 -6.657 -29.158 1.00 -9.92 C ATOM 385 HD1 TRP A 21 44.587 -6.178 -29.737 1.00 -9.92 H ATOM 386 CD2 TRP A 21 41.898 -7.041 -28.084 1.00 -9.92 C ATOM 387 NE1 TRP A 21 43.921 -7.881 -28.565 1.00 -9.92 N ATOM 388 HE1 TRP A 21 44.756 -8.452 -28.593 1.00 -9.92 H ATOM 389 CE2 TRP A 21 42.748 -8.174 -27.931 1.00 -9.92 C ATOM 390 CE3 TRP A 21 40.640 -7.049 -27.449 1.00 -9.92 C ATOM 391 HE3 TRP A 21 39.984 -6.192 -27.525 1.00 -9.92 H ATOM 392 CZ2 TRP A 21 42.364 -9.313 -27.196 1.00 -9.92 C ATOM 393 HZ2 TRP A 21 43.030 -10.159 -27.094 1.00 -9.92 H ATOM 394 CZ3 TRP A 21 40.251 -8.191 -26.700 1.00 -9.92 C ATOM 395 HZ3 TRP A 21 39.285 -8.210 -26.214 1.00 -9.92 H ATOM 396 CH2 TRP A 21 41.119 -9.317 -26.593 1.00 -9.92 C ATOM 397 HH2 TRP A 21 40.802 -10.181 -26.025 1.00 -9.92 H TER 398 TRP A 21 CONECT 60 57 372 CONECT 372 60 369 END
SEQUENCE	RWCVYAYVRIRGVLVRYRRCW
HELICITY	9.50	INSTAB. INDEX	63.76	FLEXIBILITY	9.00
a HYD. MOM.	47.54	b HYD. MOM.	15.50	c HYD. MOM	5.43
a MEAN HYD. MOM.	2.26	b MEAN HYD. MOM.	0.74	c MEAN HYD. MOM.	0.26
CHARGE pH5	6.00	CHARGE pH7	5.91	CHARGE pH9	3.91
Δ CHARGE pH5-pH9	2.09	ISOELECTRIC POINT	10.85	BOMAN INDEX	2.57
ΔG	2	CPP	-0,25	MLP	0,25
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Annelida	CLASS	Polychaeta	ORDER	Capitellida
FAMILY	Arenicolidae	GENUS	Arenicola	SPECIES	Arenicola marina
DATE	2004
TITLE PAPER	Purification and primary structure of two isoforms of arenicin, a novel antimicrobial peptide from marine polychaeta, Arenicola marina