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ID	303	NAME	Temporin-1Ce   Blast NCBI-PROT
LENGTH	13	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\risultati_grimd_abalone\pdb_final\FLPFLATLLSKVL.pdb REMARK YASARA Written on: Wed May 14 16:50:20 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 225 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 PHE LEU PRO PHE LEU ALA THR LEU LEU SER LYS VAL LEU ATOM 1 N PHE 1 -3.437 -1.191 19.722 1.00 -0.42 N ATOM 2 1H PHE 1 -3.624 -0.197 19.740 1.00 -0.42 H ATOM 3 2H PHE 1 -3.258 -1.512 20.663 1.00 -0.42 H ATOM 4 3H PHE 1 -2.628 -1.365 19.144 1.00 0.27 H ATOM 5 CA PHE 1 -4.620 -1.906 19.166 1.00 -0.00 C ATOM 6 HA PHE 1 -5.484 -1.674 19.789 1.00 0.10 H ATOM 7 C PHE 1 -4.439 -3.422 19.190 1.00 0.60 C ATOM 8 O PHE 1 -5.377 -4.110 19.551 1.00 -0.57 O ATOM 9 CB PHE 1 -4.927 -1.432 17.744 1.00 -0.03 C ATOM 10 1HB PHE 1 -5.111 -0.357 17.773 1.00 0.03 H ATOM 11 2HB PHE 1 -4.061 -1.616 17.108 1.00 0.03 H ATOM 12 CG PHE 1 -6.131 -2.103 17.137 1.00 0.01 C ATOM 13 CD1 PHE 1 -7.415 -1.885 17.675 1.00 -0.13 C ATOM 14 HD1 PHE 1 -7.552 -1.212 18.509 1.00 0.13 H ATOM 15 CD2 PHE 1 -5.989 -2.966 16.035 1.00 -0.13 C ATOM 16 HD2 PHE 1 -5.014 -3.142 15.602 1.00 0.13 H ATOM 17 CE1 PHE 1 -8.549 -2.533 17.128 1.00 -0.17 C ATOM 18 HE1 PHE 1 -9.530 -2.361 17.550 1.00 0.14 H ATOM 19 CE2 PHE 1 -7.119 -3.602 15.464 1.00 -0.17 C ATOM 20 HE2 PHE 1 -7.004 -4.245 14.603 1.00 0.14 H ATOM 21 CZ PHE 1 -8.400 -3.395 16.022 1.00 -0.11 C ATOM 22 HZ PHE 1 -9.264 -3.888 15.597 1.00 0.13 H ATOM 23 N LEU 2 -3.277 -3.974 18.853 1.00 -0.42 N ATOM 24 H LEU 2 -2.469 -3.421 18.619 1.00 0.27 H ATOM 25 CA LEU 2 -3.134 -5.435 18.732 1.00 -0.05 C ATOM 26 HA LEU 2 -3.717 -5.722 17.856 1.00 0.09 H ATOM 27 C LEU 2 -3.651 -6.352 19.860 1.00 0.60 C ATOM 28 O LEU 2 -4.321 -7.329 19.544 1.00 -0.57 O ATOM 29 CB LEU 2 -1.666 -5.768 18.431 1.00 -0.11 C ATOM 30 1HB LEU 2 -1.340 -5.136 17.605 1.00 0.05 H ATOM 31 2HB LEU 2 -1.075 -5.499 19.306 1.00 0.05 H ATOM 32 CG LEU 2 -1.320 -7.225 18.071 1.00 0.35 C ATOM 33 HG LEU 2 -1.616 -7.869 18.897 1.00 -0.04 H ATOM 34 CD1 LEU 2 -2.028 -7.708 16.804 1.00 -0.41 C ATOM 35 1HD1 LEU 2 -1.797 -7.055 15.961 1.00 0.10 H ATOM 36 2HD1 LEU 2 -1.700 -8.721 16.566 1.00 0.10 H ATOM 37 3HD1 LEU 2 -3.105 -7.737 16.965 1.00 0.10 H ATOM 38 CD2 LEU 2 0.189 -7.352 17.892 1.00 -0.41 C ATOM 39 1HD2 LEU 2 0.446 -8.392 17.683 1.00 0.10 H ATOM 40 2HD2 LEU 2 0.533 -6.732 17.062 1.00 0.10 H ATOM 41 3HD2 LEU 2 0.704 -7.053 18.806 1.00 0.10 H ATOM 42 N PRO 3 -3.425 -6.049 21.159 1.00 -0.25 N ATOM 43 CA PRO 3 -4.045 -7.033 22.064 1.00 -0.03 C ATOM 44 HA PRO 3 -3.742 -8.043 21.785 1.00 0.06 H ATOM 45 C PRO 3 -5.578 -6.992 22.127 1.00 0.59 C ATOM 46 O PRO 3 -6.207 -7.995 22.427 1.00 -0.57 O ATOM 47 CB PRO 3 -3.425 -6.683 23.418 1.00 -0.01 C ATOM 48 1HB PRO 3 -4.101 -6.935 24.236 1.00 0.03 H ATOM 49 2HB PRO 3 -2.473 -7.201 23.538 1.00 0.03 H ATOM 50 CG PRO 3 -3.195 -5.222 23.338 1.00 0.02 C ATOM 51 1HG PRO 3 -4.132 -4.686 23.494 1.00 0.02 H ATOM 52 2HG PRO 3 -2.447 -4.904 24.065 1.00 0.02 H ATOM 53 CD PRO 3 -2.697 -5.018 21.925 1.00 0.02 C ATOM 54 1HD PRO 3 -2.943 -4.016 21.578 1.00 0.04 H ATOM 55 2HD PRO 3 -1.622 -5.197 21.870 1.00 0.04 H ATOM 56 N PHE 4 -6.190 -5.864 21.783 1.00 -0.42 N ATOM 57 H PHE 4 -5.650 -5.057 21.525 1.00 0.27 H ATOM 58 CA PHE 4 -7.647 -5.783 21.691 1.00 -0.00 C ATOM 59 HA PHE 4 -8.107 -6.219 22.579 1.00 0.10 H ATOM 60 C PHE 4 -8.098 -6.577 20.475 1.00 0.60 C ATOM 61 O PHE 4 -9.095 -7.274 20.517 1.00 -0.57 O ATOM 62 CB PHE 4 -8.105 -4.330 21.540 1.00 -0.03 C ATOM 63 1HB PHE 4 -7.789 -3.767 22.417 1.00 0.03 H ATOM 64 2HB PHE 4 -7.630 -3.898 20.663 1.00 0.03 H ATOM 65 CG PHE 4 -9.592 -4.185 21.371 1.00 0.01 C ATOM 66 CD1 PHE 4 -10.438 -4.128 22.492 1.00 -0.13 C ATOM 67 HD1 PHE 4 -10.020 -4.186 23.487 1.00 0.13 H ATOM 68 CD2 PHE 4 -10.157 -4.119 20.082 1.00 -0.13 C ATOM 69 HD2 PHE 4 -9.521 -4.181 19.211 1.00 0.13 H ATOM 70 CE1 PHE 4 -11.842 -4.002 22.334 1.00 -0.17 C ATOM 71 HE1 PHE 4 -12.481 -3.953 23.203 1.00 0.14 H ATOM 72 CE2 PHE 4 -11.555 -3.988 19.907 1.00 -0.17 C ATOM 73 HE2 PHE 4 -11.975 -3.937 18.914 1.00 0.14 H ATOM 74 CZ PHE 4 -12.400 -3.932 21.037 1.00 -0.11 C ATOM 75 HZ PHE 4 -13.468 -3.826 20.910 1.00 0.13 H ATOM 76 N LEU 5 -7.336 -6.504 19.392 1.00 -0.42 N ATOM 77 H LEU 5 -6.520 -5.911 19.390 1.00 0.27 H ATOM 78 CA LEU 5 -7.658 -7.290 18.205 1.00 -0.05 C ATOM 79 HA LEU 5 -8.678 -7.061 17.897 1.00 0.09 H ATOM 80 C LEU 5 -7.587 -8.776 18.534 1.00 0.60 C ATOM 81 O LEU 5 -8.444 -9.539 18.118 1.00 -0.57 O ATOM 82 CB LEU 5 -6.693 -6.964 17.061 1.00 -0.11 C ATOM 83 1HB LEU 5 -6.727 -5.893 16.886 1.00 0.05 H ATOM 84 2HB LEU 5 -5.687 -7.217 17.387 1.00 0.05 H ATOM 85 CG LEU 5 -6.934 -7.688 15.725 1.00 0.35 C ATOM 86 HG LEU 5 -6.874 -8.760 15.897 1.00 -0.04 H ATOM 87 CD1 LEU 5 -8.299 -7.380 15.109 1.00 -0.41 C ATOM 88 1HD1 LEU 5 -9.089 -7.768 15.753 1.00 0.10 H ATOM 89 2HD1 LEU 5 -8.430 -6.306 14.982 1.00 0.10 H ATOM 90 3HD1 LEU 5 -8.385 -7.871 14.140 1.00 0.10 H ATOM 91 CD2 LEU 5 -5.827 -7.310 14.743 1.00 -0.41 C ATOM 92 1HD2 LEU 5 -4.858 -7.596 15.150 1.00 0.10 H ATOM 93 2HD2 LEU 5 -5.974 -7.848 13.805 1.00 0.10 H ATOM 94 3HD2 LEU 5 -5.840 -6.240 14.544 1.00 0.10 H ATOM 95 N ALA 6 -6.599 -9.187 19.315 1.00 -0.42 N ATOM 96 H ALA 6 -5.901 -8.528 19.634 1.00 0.27 H ATOM 97 CA ALA 6 -6.485 -10.589 19.700 1.00 0.03 C ATOM 98 HA ALA 6 -6.457 -11.187 18.788 1.00 0.08 H ATOM 99 C ALA 6 -7.694 -11.059 20.521 1.00 0.60 C ATOM 100 O ALA 6 -8.227 -12.137 20.268 1.00 -0.57 O ATOM 101 CB ALA 6 -5.179 -10.810 20.473 1.00 -0.18 C ATOM 102 1HB ALA 6 -5.193 -10.239 21.402 1.00 0.06 H ATOM 103 2HB ALA 6 -5.076 -11.870 20.708 1.00 0.06 H ATOM 104 3HB ALA 6 -4.331 -10.495 19.864 1.00 0.06 H ATOM 105 N THR 7 -8.149 -10.263 21.480 1.00 -0.42 N ATOM 106 H THR 7 -7.702 -9.373 21.677 1.00 0.27 H ATOM 107 CA THR 7 -9.296 -10.669 22.293 1.00 -0.04 C ATOM 108 HA THR 7 -9.168 -11.715 22.566 1.00 0.10 H ATOM 109 C THR 7 -10.608 -10.558 21.522 1.00 0.60 C ATOM 110 O THR 7 -11.558 -11.294 21.784 1.00 -0.57 O ATOM 111 CB THR 7 -9.402 -9.850 23.592 1.00 0.37 C ATOM 112 HB THR 7 -10.314 -10.127 24.121 1.00 0.00 H ATOM 113 OG1 THR 7 -9.423 -8.455 23.285 1.00 -0.68 O ATOM 114 HG1 THR 7 -9.431 -7.969 24.111 1.00 0.41 H ATOM 115 CG2 THR 7 -8.207 -10.090 24.502 1.00 -0.24 C ATOM 116 1HG2 THR 7 -8.115 -11.155 24.716 1.00 0.06 H ATOM 117 2HG2 THR 7 -7.293 -9.736 24.025 1.00 0.06 H ATOM 118 3HG2 THR 7 -8.351 -9.552 25.438 1.00 0.06 H ATOM 119 N LEU 8 -10.660 -9.670 20.540 1.00 -0.42 N ATOM 120 H LEU 8 -9.889 -9.018 20.418 1.00 0.27 H ATOM 121 CA LEU 8 -11.805 -9.579 19.640 1.00 -0.05 C ATOM 122 HA LEU 8 -12.718 -9.536 20.229 1.00 0.09 H ATOM 123 C LEU 8 -11.867 -10.812 18.747 1.00 0.60 C ATOM 124 O LEU 8 -12.940 -11.359 18.521 1.00 -0.57 O ATOM 125 CB LEU 8 -11.692 -8.316 18.779 1.00 -0.11 C ATOM 126 1HB LEU 8 -11.603 -7.462 19.450 1.00 0.05 H ATOM 127 2HB LEU 8 -10.770 -8.385 18.207 1.00 0.05 H ATOM 128 CG LEU 8 -12.824 -8.021 17.783 1.00 0.35 C ATOM 129 HG LEU 8 -12.902 -8.853 17.085 1.00 -0.04 H ATOM 130 CD1 LEU 8 -14.182 -7.839 18.470 1.00 -0.41 C ATOM 131 1HD1 LEU 8 -14.112 -7.061 19.231 1.00 0.10 H ATOM 132 2HD1 LEU 8 -14.930 -7.558 17.728 1.00 0.10 H ATOM 133 3HD1 LEU 8 -14.485 -8.781 18.927 1.00 0.10 H ATOM 134 CD2 LEU 8 -12.472 -6.766 16.989 1.00 -0.41 C ATOM 135 1HD2 LEU 8 -12.379 -5.910 17.657 1.00 0.10 H ATOM 136 2HD2 LEU 8 -11.528 -6.917 16.465 1.00 0.10 H ATOM 137 3HD2 LEU 8 -13.249 -6.568 16.251 1.00 0.10 H ATOM 138 N LEU 9 -10.724 -11.273 18.261 1.00 -0.42 N ATOM 139 H LEU 9 -9.858 -10.772 18.447 1.00 0.27 H ATOM 140 CA LEU 9 -10.684 -12.480 17.439 1.00 -0.05 C ATOM 141 HA LEU 9 -11.413 -12.380 16.638 1.00 0.09 H ATOM 142 C LEU 9 -11.077 -13.705 18.252 1.00 0.60 C ATOM 143 O LEU 9 -11.859 -14.511 17.779 1.00 -0.57 O ATOM 144 CB LEU 9 -9.294 -12.684 16.828 1.00 -0.11 C ATOM 145 1HB LEU 9 -8.559 -12.566 17.623 1.00 0.05 H ATOM 146 2HB LEU 9 -9.232 -13.711 16.468 1.00 0.05 H ATOM 147 CG LEU 9 -8.914 -11.754 15.665 1.00 0.35 C ATOM 148 HG LEU 9 -9.110 -10.725 15.955 1.00 -0.04 H ATOM 149 CD1 LEU 9 -7.422 -11.884 15.362 1.00 -0.41 C ATOM 150 1HD1 LEU 9 -7.151 -11.207 14.552 1.00 0.10 H ATOM 151 2HD1 LEU 9 -6.849 -11.609 16.249 1.00 0.10 H ATOM 152 3HD1 LEU 9 -7.182 -12.909 15.077 1.00 0.10 H ATOM 153 CD2 LEU 9 -9.721 -12.051 14.397 1.00 -0.41 C ATOM 154 1HD2 LEU 9 -9.399 -11.392 13.592 1.00 0.10 H ATOM 155 2HD2 LEU 9 -9.578 -13.090 14.095 1.00 0.10 H ATOM 156 3HD2 LEU 9 -10.781 -11.877 14.583 1.00 0.10 H ATOM 157 N SER 10 -10.624 -13.817 19.493 1.00 -0.42 N ATOM 158 H SER 10 -9.985 -13.121 19.868 1.00 0.27 H ATOM 159 CA SER 10 -10.999 -14.953 20.343 1.00 -0.03 C ATOM 160 HA SER 10 -10.908 -15.873 19.763 1.00 0.08 H ATOM 161 C SER 10 -12.438 -14.878 20.852 1.00 0.60 C ATOM 162 O SER 10 -12.907 -15.741 21.586 1.00 -0.57 O ATOM 163 CB SER 10 -10.049 -15.052 21.535 1.00 0.21 C ATOM 164 1HB SER 10 -10.304 -15.936 22.122 1.00 0.04 H ATOM 165 2HB SER 10 -9.028 -15.155 21.167 1.00 0.04 H ATOM 166 OG SER 10 -10.129 -13.899 22.356 1.00 -0.65 O ATOM 167 HG SER 10 -11.056 -13.727 22.552 1.00 0.43 H ATOM 168 N LYS 11 -13.144 -13.812 20.499 1.00 -0.35 N ATOM 169 H LYS 11 -12.696 -13.085 19.955 1.00 0.28 H ATOM 170 CA LYS 11 -14.562 -13.674 20.828 1.00 -0.24 C ATOM 171 HA LYS 11 -14.773 -14.210 21.753 1.00 0.14 H ATOM 172 C LYS 11 -15.414 -14.277 19.709 1.00 0.73 C ATOM 173 O LYS 11 -16.614 -14.475 19.889 1.00 -0.59 O ATOM 174 CB LYS 11 -14.877 -12.186 21.018 1.00 -0.01 C ATOM 175 1HB LYS 11 -14.090 -11.755 21.634 1.00 0.04 H ATOM 176 2HB LYS 11 -14.853 -11.703 20.045 1.00 0.04 H ATOM 177 CG LYS 11 -16.204 -11.857 21.675 1.00 0.02 C ATOM 178 1HG LYS 11 -17.021 -12.266 21.083 1.00 0.01 H ATOM 179 2HG LYS 11 -16.230 -12.288 22.676 1.00 0.01 H ATOM 180 CD LYS 11 -16.370 -10.351 21.765 1.00 -0.05 C ATOM 181 1HD LYS 11 -15.534 -9.933 22.328 1.00 0.06 H ATOM 182 2HD LYS 11 -16.368 -9.935 20.757 1.00 0.06 H ATOM 183 CE LYS 11 -17.679 -9.998 22.456 1.00 -0.01 C ATOM 184 1HE LYS 11 -18.505 -10.454 21.904 1.00 0.11 H ATOM 185 2HE LYS 11 -17.667 -10.408 23.469 1.00 0.11 H ATOM 186 NZ LYS 11 -17.873 -8.510 22.516 1.00 -0.38 N ATOM 187 1HZ LYS 11 -17.895 -8.130 21.579 1.00 0.17 H ATOM 188 2HZ LYS 11 -18.746 -8.296 22.980 1.00 0.17 H ATOM 189 3HZ LYS 11 -17.111 -8.086 23.027 1.00 0.17 H ATOM 190 N VAL 12 -14.814 -14.506 18.547 1.00 -0.42 N ATOM 191 H VAL 12 -13.819 -14.340 18.448 1.00 0.27 H ATOM 192 CA VAL 12 -15.553 -14.954 17.358 1.00 -0.09 C ATOM 193 HA VAL 12 -16.569 -15.207 17.655 1.00 0.10 H ATOM 194 C VAL 12 -14.977 -16.202 16.681 1.00 0.60 C ATOM 195 O VAL 12 -15.547 -16.684 15.699 1.00 -0.57 O ATOM 196 CB VAL 12 -15.654 -13.807 16.299 1.00 0.30 C ATOM 197 HB VAL 12 -16.247 -14.166 15.459 1.00 -0.03 H ATOM 198 CG1 VAL 12 -16.372 -12.574 16.890 1.00 -0.32 C ATOM 199 1HG1 VAL 12 -15.752 -12.111 17.658 1.00 0.08 H ATOM 200 2HG1 VAL 12 -16.562 -11.852 16.097 1.00 0.08 H ATOM 201 3HG1 VAL 12 -17.322 -12.883 17.326 1.00 0.08 H ATOM 202 CG2 VAL 12 -14.276 -13.374 15.766 1.00 -0.32 C ATOM 203 1HG2 VAL 12 -13.746 -14.237 15.360 1.00 0.08 H ATOM 204 2HG2 VAL 12 -14.403 -12.638 14.975 1.00 0.08 H ATOM 205 3HG2 VAL 12 -13.681 -12.939 16.567 1.00 0.08 H ATOM 206 N LEU 13 -13.856 -16.709 17.176 1.00 -0.42 N ATOM 207 H LEU 13 -13.426 -16.322 18.008 1.00 0.27 H ATOM 208 CA LEU 13 -13.139 -17.838 16.589 1.00 -0.05 C ATOM 209 HA LEU 13 -13.828 -18.527 16.106 1.00 0.09 H ATOM 210 C LEU 13 -12.458 -18.533 17.759 1.00 0.60 C ATOM 211 O LEU 13 -12.284 -19.768 17.747 1.00 -0.57 O ATOM 212 OXT LEU 13 -12.123 -17.778 18.697 1.00 -0.57 O ATOM 213 CB LEU 13 -12.098 -17.307 15.593 1.00 -0.11 C ATOM 214 1HB LEU 13 -12.627 -16.731 14.837 1.00 0.05 H ATOM 215 2HB LEU 13 -11.452 -16.623 16.142 1.00 0.05 H ATOM 216 CG LEU 13 -11.193 -18.319 14.879 1.00 0.35 C ATOM 217 HG LEU 13 -10.622 -18.872 15.623 1.00 -0.04 H ATOM 218 CD1 LEU 13 -11.988 -19.313 14.038 1.00 -0.41 C ATOM 219 1HD1 LEU 13 -12.598 -19.927 14.703 1.00 0.10 H ATOM 220 2HD1 LEU 13 -12.637 -18.783 13.342 1.00 0.10 H ATOM 221 3HD1 LEU 13 -11.309 -19.966 13.495 1.00 0.10 H ATOM 222 CD2 LEU 13 -10.210 -17.560 13.990 1.00 -0.41 C ATOM 223 1HD2 LEU 13 -10.750 -16.996 13.230 1.00 0.10 H ATOM 224 2HD2 LEU 13 -9.625 -16.876 14.604 1.00 0.10 H ATOM 225 3HD2 LEU 13 -9.534 -18.267 13.511 1.00 0.10 H TER 226 LEU 13 END
SEQUENCE	FLPFLATLLSKVL
HELICITY	92.30	INSTAB. INDEX	32.33	FLEXIBILITY	9.67
a HYD. MOM.	50.65	b HYD. MOM.	21.67	c HYD. MOM	3.45
a MEAN HYD. MOM.	3.90	b MEAN HYD. MOM.	1.67	c MEAN HYD. MOM.	0.27
CHARGE pH5	1.00	CHARGE pH7	1.00	CHARGE pH9	0.80
Δ CHARGE pH5-pH9	0.20	ISOELECTRIC POINT	8.75	BOMAN INDEX	-1.91
ΔG	-5,98	CPP	-0,13	MLP	-0,96
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	100	MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Rana	SPECIES	Rana clamitans
DATE	2000
TITLE PAPER	Purification and characterization of antimicrobial peptides from the skin of the North American green frog Rana clamitans.