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ID	324	NAME	Temporin-A   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\FLPLIGRVLSGIL.pdb REMARK YASARA Written on: Wed May 14 16:13:26 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 216 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 PHE LEU PRO LEU ILE GLY ARG VAL LEU SER GLY ILE LEU ATOM 1 N PHE 1 -0.940 -8.346 16.378 1.00 -0.42 N ATOM 2 1H PHE 1 -0.061 -8.544 15.920 1.00 -0.42 H ATOM 3 2H PHE 1 -0.841 -7.512 16.940 1.00 -0.42 H ATOM 4 3H PHE 1 -1.188 -9.128 16.968 1.00 0.27 H ATOM 5 CA PHE 1 -1.997 -8.137 15.349 1.00 -0.00 C ATOM 6 HA PHE 1 -1.680 -7.321 14.698 1.00 0.10 H ATOM 7 C PHE 1 -3.338 -7.744 15.976 1.00 0.60 C ATOM 8 O PHE 1 -4.087 -7.019 15.344 1.00 -0.57 O ATOM 9 CB PHE 1 -2.170 -9.391 14.482 1.00 -0.03 C ATOM 10 1HB PHE 1 -2.651 -9.099 13.548 1.00 0.03 H ATOM 11 2HB PHE 1 -1.188 -9.800 14.245 1.00 0.03 H ATOM 12 CG PHE 1 -3.015 -10.457 15.125 1.00 0.01 C ATOM 13 CD1 PHE 1 -4.389 -10.532 14.830 1.00 -0.13 C ATOM 14 HD1 PHE 1 -4.823 -9.866 14.097 1.00 0.13 H ATOM 15 CD2 PHE 1 -2.462 -11.362 16.052 1.00 -0.13 C ATOM 16 HD2 PHE 1 -1.401 -11.359 16.254 1.00 0.13 H ATOM 17 CE1 PHE 1 -5.221 -11.462 15.490 1.00 -0.17 C ATOM 18 HE1 PHE 1 -6.273 -11.506 15.253 1.00 0.14 H ATOM 19 CE2 PHE 1 -3.287 -12.297 16.725 1.00 -0.17 C ATOM 20 HE2 PHE 1 -2.859 -12.986 17.442 1.00 0.14 H ATOM 21 CZ PHE 1 -4.671 -12.341 16.448 1.00 -0.11 C ATOM 22 HZ PHE 1 -5.304 -13.055 16.958 1.00 0.13 H ATOM 23 N LEU 2 -3.667 -8.179 17.192 1.00 -0.42 N ATOM 24 H LEU 2 -3.019 -8.695 17.763 1.00 0.27 H ATOM 25 CA LEU 2 -5.028 -8.035 17.734 1.00 -0.05 C ATOM 26 HA LEU 2 -5.664 -8.707 17.156 1.00 0.09 H ATOM 27 C LEU 2 -5.725 -6.661 17.668 1.00 0.60 C ATOM 28 O LEU 2 -6.891 -6.610 17.274 1.00 -0.57 O ATOM 29 CB LEU 2 -5.016 -8.540 19.186 1.00 -0.11 C ATOM 30 1HB LEU 2 -4.542 -9.522 19.195 1.00 0.05 H ATOM 31 2HB LEU 2 -4.378 -7.868 19.758 1.00 0.05 H ATOM 32 CG LEU 2 -6.346 -8.658 19.949 1.00 0.35 C ATOM 33 HG LEU 2 -6.859 -7.700 19.902 1.00 -0.04 H ATOM 34 CD1 LEU 2 -7.264 -9.729 19.371 1.00 -0.41 C ATOM 35 1HD1 LEU 2 -7.538 -9.470 18.354 1.00 0.10 H ATOM 36 2HD1 LEU 2 -6.769 -10.701 19.382 1.00 0.10 H ATOM 37 3HD1 LEU 2 -8.175 -9.791 19.971 1.00 0.10 H ATOM 38 CD2 LEU 2 -6.061 -8.963 21.411 1.00 -0.41 C ATOM 39 1HD2 LEU 2 -5.559 -9.928 21.512 1.00 0.10 H ATOM 40 2HD2 LEU 2 -5.437 -8.184 21.848 1.00 0.10 H ATOM 41 3HD2 LEU 2 -7.000 -9.000 21.967 1.00 0.10 H ATOM 42 N PRO 3 -5.051 -5.540 18.006 1.00 -0.25 N ATOM 43 CA PRO 3 -5.880 -4.332 17.877 1.00 -0.03 C ATOM 44 HA PRO 3 -6.828 -4.469 18.393 1.00 0.06 H ATOM 45 C PRO 3 -6.182 -3.876 16.448 1.00 0.59 C ATOM 46 O PRO 3 -7.135 -3.140 16.245 1.00 -0.57 O ATOM 47 CB PRO 3 -5.056 -3.279 18.621 1.00 -0.01 C ATOM 48 1HB PRO 3 -5.248 -2.281 18.226 1.00 0.03 H ATOM 49 2HB PRO 3 -5.274 -3.316 19.688 1.00 0.03 H ATOM 50 CG PRO 3 -3.659 -3.692 18.379 1.00 0.02 C ATOM 51 1HG PRO 3 -3.353 -3.405 17.372 1.00 0.02 H ATOM 52 2HG PRO 3 -2.989 -3.256 19.120 1.00 0.02 H ATOM 53 CD PRO 3 -3.705 -5.195 18.510 1.00 0.02 C ATOM 54 1HD PRO 3 -2.925 -5.652 17.904 1.00 0.04 H ATOM 55 2HD PRO 3 -3.609 -5.490 19.556 1.00 0.04 H ATOM 56 N LEU 4 -5.413 -4.324 15.462 1.00 -0.42 N ATOM 57 H LEU 4 -4.663 -4.968 15.660 1.00 0.27 H ATOM 58 CA LEU 4 -5.625 -3.927 14.067 1.00 -0.05 C ATOM 59 HA LEU 4 -5.655 -2.839 13.997 1.00 0.09 H ATOM 60 C LEU 4 -6.948 -4.481 13.553 1.00 0.60 C ATOM 61 O LEU 4 -7.657 -3.844 12.792 1.00 -0.57 O ATOM 62 CB LEU 4 -4.477 -4.462 13.200 1.00 -0.11 C ATOM 63 1HB LEU 4 -3.540 -4.128 13.644 1.00 0.05 H ATOM 64 2HB LEU 4 -4.503 -5.549 13.250 1.00 0.05 H ATOM 65 CG LEU 4 -4.458 -4.080 11.710 1.00 0.35 C ATOM 66 HG LEU 4 -5.381 -4.425 11.249 1.00 -0.04 H ATOM 67 CD1 LEU 4 -4.339 -2.573 11.488 1.00 -0.41 C ATOM 68 1HD1 LEU 4 -5.228 -2.072 11.874 1.00 0.10 H ATOM 69 2HD1 LEU 4 -3.452 -2.180 11.984 1.00 0.10 H ATOM 70 3HD1 LEU 4 -4.276 -2.364 10.419 1.00 0.10 H ATOM 71 CD2 LEU 4 -3.291 -4.792 11.027 1.00 -0.41 C ATOM 72 1HD2 LEU 4 -3.397 -5.871 11.141 1.00 0.10 H ATOM 73 2HD2 LEU 4 -3.300 -4.559 9.961 1.00 0.10 H ATOM 74 3HD2 LEU 4 -2.342 -4.465 11.453 1.00 0.10 H ATOM 75 N ILE 5 -7.302 -5.660 14.043 1.00 -0.42 N ATOM 76 H ILE 5 -6.696 -6.117 14.704 1.00 0.27 H ATOM 77 CA ILE 5 -8.550 -6.328 13.670 1.00 -0.06 C ATOM 78 HA ILE 5 -8.882 -5.899 12.724 1.00 0.09 H ATOM 79 C ILE 5 -9.662 -5.983 14.669 1.00 0.60 C ATOM 80 O ILE 5 -10.599 -6.743 14.895 1.00 -0.57 O ATOM 81 CB ILE 5 -8.321 -7.855 13.396 1.00 0.13 C ATOM 82 HB ILE 5 -9.274 -8.312 13.126 1.00 0.02 H ATOM 83 CG1 ILE 5 -7.696 -8.642 14.570 1.00 -0.04 C ATOM 84 1HG1 ILE 5 -7.232 -9.530 14.145 1.00 0.02 H ATOM 85 2HG1 ILE 5 -6.902 -8.055 15.026 1.00 0.02 H ATOM 86 CG2 ILE 5 -7.356 -8.013 12.192 1.00 -0.32 C ATOM 87 1HG2 ILE 5 -7.740 -7.449 11.339 1.00 0.09 H ATOM 88 2HG2 ILE 5 -6.360 -7.643 12.438 1.00 0.09 H ATOM 89 3HG2 ILE 5 -7.292 -9.063 11.900 1.00 0.09 H ATOM 90 CD1 ILE 5 -8.643 -9.128 15.657 1.00 -0.07 C ATOM 91 1HD1 ILE 5 -9.514 -9.601 15.202 1.00 0.02 H ATOM 92 2HD1 ILE 5 -8.129 -9.860 16.277 1.00 0.02 H ATOM 93 3HD1 ILE 5 -8.962 -8.290 16.273 1.00 0.02 H ATOM 94 N GLY 6 -9.542 -4.813 15.285 1.00 -0.42 N ATOM 95 H GLY 6 -8.742 -4.220 15.087 1.00 0.27 H ATOM 96 CA GLY 6 -10.578 -4.293 16.168 1.00 -0.03 C ATOM 97 1HA GLY 6 -10.326 -3.264 16.426 1.00 0.07 H ATOM 98 2HA GLY 6 -11.524 -4.283 15.626 1.00 0.07 H ATOM 99 C GLY 6 -10.786 -5.069 17.451 1.00 0.60 C ATOM 100 O GLY 6 -11.813 -4.932 18.104 1.00 -0.57 O ATOM 101 N ARG 7 -9.817 -5.919 17.778 1.00 -0.35 N ATOM 102 H ARG 7 -8.999 -5.950 17.181 1.00 0.28 H ATOM 103 CA ARG 7 -9.869 -6.853 18.913 1.00 -0.26 C ATOM 104 HA ARG 7 -8.986 -7.485 18.849 1.00 0.16 H ATOM 105 C ARG 7 -11.093 -7.770 18.893 1.00 0.73 C ATOM 106 O ARG 7 -11.495 -8.262 19.940 1.00 -0.59 O ATOM 107 CB ARG 7 -9.827 -6.123 20.266 1.00 -0.00 C ATOM 108 1HB ARG 7 -10.786 -5.624 20.413 1.00 0.03 H ATOM 109 2HB ARG 7 -9.710 -6.864 21.057 1.00 0.03 H ATOM 110 CG ARG 7 -8.736 -5.080 20.428 1.00 0.04 C ATOM 111 1HG ARG 7 -7.759 -5.539 20.284 1.00 0.03 H ATOM 112 2HG ARG 7 -8.880 -4.286 19.695 1.00 0.03 H ATOM 113 CD ARG 7 -8.819 -4.481 21.822 1.00 0.05 C ATOM 114 1HD ARG 7 -9.848 -4.161 22.000 1.00 0.07 H ATOM 115 2HD ARG 7 -8.561 -5.251 22.552 1.00 0.07 H ATOM 116 NE ARG 7 -7.930 -3.321 21.995 1.00 -0.53 N ATOM 117 HE ARG 7 -7.415 -3.029 21.181 1.00 0.35 H ATOM 118 CZ ARG 7 -7.773 -2.616 23.109 1.00 0.81 C ATOM 119 NH1 ARG 7 -6.965 -1.592 23.096 1.00 -0.86 N ATOM 120 1HH1 ARG 7 -6.481 -1.335 22.253 1.00 0.32 H ATOM 121 2HH1 ARG 7 -6.830 -1.044 23.930 1.00 0.32 H ATOM 122 NH2 ARG 7 -8.385 -2.890 24.233 1.00 -0.86 N ATOM 123 1HH2 ARG 7 -9.025 -3.666 24.275 1.00 0.32 H ATOM 124 2HH2 ARG 7 -8.230 -2.327 25.052 1.00 0.32 H ATOM 125 N VAL 8 -11.691 -8.036 17.738 1.00 -0.42 N ATOM 126 H VAL 8 -11.333 -7.657 16.868 1.00 0.27 H ATOM 127 CA VAL 8 -12.946 -8.799 17.715 1.00 -0.09 C ATOM 128 HA VAL 8 -13.621 -8.326 18.430 1.00 0.10 H ATOM 129 C VAL 8 -12.794 -10.246 18.174 1.00 0.60 C ATOM 130 O VAL 8 -13.744 -10.858 18.642 1.00 -0.57 O ATOM 131 CB VAL 8 -13.643 -8.757 16.325 1.00 0.30 C ATOM 132 HB VAL 8 -14.590 -9.291 16.406 1.00 -0.03 H ATOM 133 CG1 VAL 8 -13.952 -7.307 15.927 1.00 -0.32 C ATOM 134 1HG1 VAL 8 -14.543 -7.298 15.011 1.00 0.08 H ATOM 135 2HG1 VAL 8 -14.527 -6.820 16.717 1.00 0.08 H ATOM 136 3HG1 VAL 8 -13.034 -6.744 15.758 1.00 0.08 H ATOM 137 CG2 VAL 8 -12.804 -9.441 15.230 1.00 -0.32 C ATOM 138 1HG2 VAL 8 -13.341 -9.391 14.282 1.00 0.08 H ATOM 139 2HG2 VAL 8 -11.844 -8.942 15.110 1.00 0.08 H ATOM 140 3HG2 VAL 8 -12.646 -10.490 15.476 1.00 0.08 H ATOM 141 N LEU 9 -11.577 -10.770 18.146 1.00 -0.42 N ATOM 142 H LEU 9 -10.815 -10.224 17.785 1.00 0.27 H ATOM 143 CA LEU 9 -11.316 -12.123 18.643 1.00 -0.05 C ATOM 144 HA LEU 9 -12.117 -12.777 18.301 1.00 0.09 H ATOM 145 C LEU 9 -11.307 -12.191 20.169 1.00 0.60 C ATOM 146 O LEU 9 -11.217 -13.266 20.743 1.00 -0.57 O ATOM 147 CB LEU 9 -9.989 -12.652 18.095 1.00 -0.11 C ATOM 148 1HB LEU 9 -9.193 -11.999 18.450 1.00 0.05 H ATOM 149 2HB LEU 9 -9.821 -13.641 18.523 1.00 0.05 H ATOM 150 CG LEU 9 -9.868 -12.780 16.569 1.00 0.35 C ATOM 151 HG LEU 9 -10.022 -11.799 16.123 1.00 -0.04 H ATOM 152 CD1 LEU 9 -8.458 -13.241 16.224 1.00 -0.41 C ATOM 153 1HD1 LEU 9 -7.731 -12.558 16.657 1.00 0.10 H ATOM 154 2HD1 LEU 9 -8.285 -14.246 16.615 1.00 0.10 H ATOM 155 3HD1 LEU 9 -8.332 -13.255 15.141 1.00 0.10 H ATOM 156 CD2 LEU 9 -10.886 -13.747 15.961 1.00 -0.41 C ATOM 157 1HD2 LEU 9 -10.716 -13.835 14.887 1.00 0.10 H ATOM 158 2HD2 LEU 9 -10.792 -14.732 16.421 1.00 0.10 H ATOM 159 3HD2 LEU 9 -11.897 -13.372 16.118 1.00 0.10 H ATOM 160 N SER 10 -11.429 -11.045 20.821 1.00 -0.42 N ATOM 161 H SER 10 -11.444 -10.167 20.310 1.00 0.27 H ATOM 162 CA SER 10 -11.587 -10.977 22.271 1.00 -0.03 C ATOM 163 HA SER 10 -11.324 -11.935 22.712 1.00 0.08 H ATOM 164 C SER 10 -13.027 -10.647 22.653 1.00 0.60 C ATOM 165 O SER 10 -13.337 -10.503 23.825 1.00 -0.57 O ATOM 166 CB SER 10 -10.654 -9.909 22.835 1.00 0.21 C ATOM 167 1HB SER 10 -10.965 -8.929 22.472 1.00 0.04 H ATOM 168 2HB SER 10 -10.704 -9.921 23.925 1.00 0.04 H ATOM 169 OG SER 10 -9.324 -10.163 22.410 1.00 -0.65 O ATOM 170 HG SER 10 -9.118 -11.080 22.618 1.00 0.43 H ATOM 171 N GLY 11 -13.894 -10.510 21.656 1.00 -0.42 N ATOM 172 H GLY 11 -13.593 -10.653 20.698 1.00 0.27 H ATOM 173 CA GLY 11 -15.289 -10.143 21.875 1.00 -0.03 C ATOM 174 1HA GLY 11 -15.429 -9.785 22.895 1.00 0.07 H ATOM 175 2HA GLY 11 -15.556 -9.344 21.184 1.00 0.07 H ATOM 176 C GLY 11 -16.223 -11.311 21.633 1.00 0.60 C ATOM 177 O GLY 11 -17.422 -11.146 21.436 1.00 -0.57 O ATOM 178 N ILE 12 -15.629 -12.493 21.587 1.00 -0.42 N ATOM 179 H ILE 12 -14.638 -12.541 21.754 1.00 0.27 H ATOM 180 CA ILE 12 -16.317 -13.751 21.284 1.00 -0.06 C ATOM 181 HA ILE 12 -17.394 -13.588 21.256 1.00 0.09 H ATOM 182 C ILE 12 -16.023 -14.752 22.403 1.00 0.60 C ATOM 183 O ILE 12 -16.103 -15.968 22.213 1.00 -0.57 O ATOM 184 CB ILE 12 -15.861 -14.304 19.896 1.00 0.13 C ATOM 185 HB ILE 12 -16.339 -15.271 19.738 1.00 0.02 H ATOM 186 CG1 ILE 12 -14.329 -14.492 19.853 1.00 -0.04 C ATOM 187 1HG1 ILE 12 -13.856 -13.512 19.875 1.00 0.02 H ATOM 188 2HG1 ILE 12 -14.017 -15.034 20.744 1.00 0.02 H ATOM 189 CG2 ILE 12 -16.334 -13.351 18.765 1.00 -0.32 C ATOM 190 1HG2 ILE 12 -17.404 -13.164 18.871 1.00 0.09 H ATOM 191 2HG2 ILE 12 -15.806 -12.399 18.822 1.00 0.09 H ATOM 192 3HG2 ILE 12 -16.155 -13.805 17.793 1.00 0.09 H ATOM 193 CD1 ILE 12 -13.787 -15.255 18.639 1.00 -0.07 C ATOM 194 1HD1 ILE 12 -14.272 -16.230 18.572 1.00 0.02 H ATOM 195 2HD1 ILE 12 -13.970 -14.690 17.725 1.00 0.02 H ATOM 196 3HD1 ILE 12 -12.713 -15.399 18.759 1.00 0.02 H ATOM 197 N LEU 13 -15.611 -14.212 23.541 1.00 -0.42 N ATOM 198 H LEU 13 -15.700 -13.218 23.687 1.00 0.27 H ATOM 199 CA LEU 13 -15.095 -14.980 24.671 1.00 -0.05 C ATOM 200 HA LEU 13 -15.181 -16.048 24.478 1.00 0.09 H ATOM 201 C LEU 13 -15.944 -14.617 25.879 1.00 0.60 C ATOM 202 O LEU 13 -15.925 -15.337 26.896 1.00 -0.57 O ATOM 203 OXT LEU 13 -16.596 -13.555 25.774 1.00 -0.57 O ATOM 204 CB LEU 13 -13.631 -14.601 24.937 1.00 -0.11 C ATOM 205 1HB LEU 13 -13.620 -13.553 25.236 1.00 0.05 H ATOM 206 2HB LEU 13 -13.297 -15.187 25.793 1.00 0.05 H ATOM 207 CG LEU 13 -12.607 -14.774 23.807 1.00 0.35 C ATOM 208 HG LEU 13 -12.905 -14.146 22.968 1.00 -0.04 H ATOM 209 CD1 LEU 13 -11.245 -14.298 24.298 1.00 -0.41 C ATOM 210 1HD1 LEU 13 -10.535 -14.331 23.472 1.00 0.10 H ATOM 211 2HD1 LEU 13 -11.326 -13.272 24.657 1.00 0.10 H ATOM 212 3HD1 LEU 13 -10.896 -14.935 25.110 1.00 0.10 H ATOM 213 CD2 LEU 13 -12.500 -16.213 23.316 1.00 -0.41 C ATOM 214 1HD2 LEU 13 -12.239 -16.873 24.141 1.00 0.10 H ATOM 215 2HD2 LEU 13 -13.461 -16.524 22.900 1.00 0.10 H ATOM 216 3HD2 LEU 13 -11.748 -16.276 22.532 1.00 0.10 H TER 217 LEU 13 END
SEQUENCE	FLPLIGRVLSGIL
HELICITY	92.30	INSTAB. INDEX	32.33	FLEXIBILITY	12.53
a HYD. MOM.	53.40	b HYD. MOM.	24.41	c HYD. MOM	4.64
a MEAN HYD. MOM.	4.11	b MEAN HYD. MOM.	1.88	c MEAN HYD. MOM.	0.36
CHARGE pH5	1.00	CHARGE pH7	1.00	CHARGE pH9	0.83
Δ CHARGE pH5-pH9	0.17	ISOELECTRIC POINT	9.75	BOMAN INDEX	-1.55
ΔG	-4,70	CPP	-0,52	MLP	1
MOLECULAR VOLUME		POLARITY
MIC E. coli	12	MIC P. aeruginosa	200	MIC S. typhimurium
MIC S. aureus	2	MIC M. luteus		MIC B. subtilis
MIC C. albicans	3	OTHER
MIC OTHER gram+	B. megateriurn Bml I = 1.2; S. pyogenes/3 hem. group A = 2
MIC OTHER gram-	Y. Pseudotuberculosis = 2.0
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Rana	SPECIES	Rana temporaria
DATE	1996
TITLE PAPER	Temporins, antimicrobial peptides from the European red frog Rana temporaria.