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ID	413	NAME	Eumenine mastoparan-EF   Blast NCBI-PROT
LENGTH	14	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\FDVMGIIKKIAGAL.pdb REMARK YASARA Written on: Wed May 14 17:28:07 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 222 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 14 PHE ASP VAL MET GLY ILE ILE LYS LYS ILE ALA GLY ALA SEQRES 2 14 LEU ATOM 1 N PHE 1 -8.248 -10.881 23.179 1.00 -0.42 N ATOM 2 1H PHE 1 -7.797 -10.131 23.687 1.00 -0.42 H ATOM 3 2H PHE 1 -8.538 -10.534 22.274 1.00 -0.42 H ATOM 4 3H PHE 1 -9.061 -11.181 23.696 1.00 0.27 H ATOM 5 CA PHE 1 -7.304 -12.016 23.011 1.00 -0.00 C ATOM 6 HA PHE 1 -6.470 -11.677 22.400 1.00 0.10 H ATOM 7 C PHE 1 -8.001 -13.159 22.307 1.00 0.60 C ATOM 8 O PHE 1 -9.217 -13.244 22.358 1.00 -0.57 O ATOM 9 CB PHE 1 -6.766 -12.492 24.360 1.00 -0.03 C ATOM 10 1HB PHE 1 -7.603 -12.780 24.996 1.00 0.03 H ATOM 11 2HB PHE 1 -6.144 -13.371 24.192 1.00 0.03 H ATOM 12 CG PHE 1 -5.934 -11.462 25.073 1.00 0.01 C ATOM 13 CD1 PHE 1 -6.394 -10.872 26.263 1.00 -0.13 C ATOM 14 HD1 PHE 1 -7.358 -11.146 26.669 1.00 0.13 H ATOM 15 CD2 PHE 1 -4.684 -11.073 24.555 1.00 -0.13 C ATOM 16 HD2 PHE 1 -4.315 -11.510 23.639 1.00 0.13 H ATOM 17 CE1 PHE 1 -5.618 -9.902 26.937 1.00 -0.17 C ATOM 18 HE1 PHE 1 -5.985 -9.458 27.851 1.00 0.14 H ATOM 19 CE2 PHE 1 -3.902 -10.091 25.212 1.00 -0.17 C ATOM 20 HE2 PHE 1 -2.954 -9.784 24.795 1.00 0.14 H ATOM 21 CZ PHE 1 -4.371 -9.505 26.407 1.00 -0.11 C ATOM 22 HZ PHE 1 -3.783 -8.751 26.910 1.00 0.13 H ATOM 23 N ASP 2 -7.273 -14.031 21.620 1.00 -0.52 N ATOM 24 H ASP 2 -6.282 -14.121 21.792 1.00 0.29 H ATOM 25 CA ASP 2 -7.827 -14.767 20.473 1.00 0.04 C ATOM 26 HA ASP 2 -8.438 -14.043 19.938 1.00 0.09 H ATOM 27 C ASP 2 -8.735 -15.971 20.722 1.00 0.54 C ATOM 28 O ASP 2 -8.951 -16.782 19.835 1.00 -0.58 O ATOM 29 CB ASP 2 -6.684 -15.203 19.542 1.00 -0.03 C ATOM 30 1HB ASP 2 -5.822 -14.563 19.727 1.00 -0.01 H ATOM 31 2HB ASP 2 -6.399 -16.230 19.771 1.00 -0.01 H ATOM 32 CG ASP 2 -7.058 -15.083 18.070 1.00 0.80 C ATOM 33 OD1 ASP 2 -7.834 -14.155 17.747 1.00 -0.55 O ATOM 34 OD2 ASP 2 -6.561 -15.834 17.211 1.00 -0.55 O ATOM 35 N VAL 3 -9.326 -16.060 21.904 1.00 -0.42 N ATOM 36 H VAL 3 -9.198 -15.310 22.570 1.00 0.27 H ATOM 37 CA VAL 3 -10.183 -17.188 22.288 1.00 -0.09 C ATOM 38 HA VAL 3 -9.633 -18.113 22.105 1.00 0.10 H ATOM 39 C VAL 3 -11.474 -17.288 21.470 1.00 0.60 C ATOM 40 O VAL 3 -12.141 -18.310 21.473 1.00 -0.57 O ATOM 41 CB VAL 3 -10.524 -17.122 23.807 1.00 0.30 C ATOM 42 HB VAL 3 -11.167 -17.966 24.055 1.00 -0.03 H ATOM 43 CG1 VAL 3 -9.240 -17.239 24.648 1.00 -0.32 C ATOM 44 1HG1 VAL 3 -9.503 -17.294 25.706 1.00 0.08 H ATOM 45 2HG1 VAL 3 -8.710 -18.154 24.379 1.00 0.08 H ATOM 46 3HG1 VAL 3 -8.586 -16.383 24.488 1.00 0.08 H ATOM 47 CG2 VAL 3 -11.257 -15.815 24.184 1.00 -0.32 C ATOM 48 1HG2 VAL 3 -10.636 -14.942 23.989 1.00 0.08 H ATOM 49 2HG2 VAL 3 -12.184 -15.734 23.620 1.00 0.08 H ATOM 50 3HG2 VAL 3 -11.511 -15.837 25.245 1.00 0.08 H ATOM 51 N MET 4 -11.794 -16.229 20.738 1.00 -0.42 N ATOM 52 H MET 4 -11.221 -15.410 20.821 1.00 0.27 H ATOM 53 CA MET 4 -12.925 -16.211 19.803 1.00 -0.02 C ATOM 54 HA MET 4 -13.345 -17.214 19.711 1.00 0.09 H ATOM 55 C MET 4 -12.449 -15.779 18.413 1.00 0.60 C ATOM 56 O MET 4 -13.208 -15.248 17.613 1.00 -0.57 O ATOM 57 CB MET 4 -14.025 -15.282 20.331 1.00 0.03 C ATOM 58 1HB MET 4 -13.596 -14.298 20.510 1.00 0.02 H ATOM 59 2HB MET 4 -14.806 -15.192 19.576 1.00 0.02 H ATOM 60 CG MET 4 -14.683 -15.782 21.611 1.00 0.00 C ATOM 61 1HG MET 4 -15.111 -16.766 21.413 1.00 0.04 H ATOM 62 2HG MET 4 -13.933 -15.884 22.392 1.00 0.04 H ATOM 63 SD MET 4 -15.997 -14.690 22.201 1.00 -0.27 S ATOM 64 CE MET 4 -15.085 -13.323 22.930 1.00 -0.05 C ATOM 65 1HE MET 4 -14.503 -12.819 22.162 1.00 0.07 H ATOM 66 2HE MET 4 -15.787 -12.616 23.372 1.00 0.07 H ATOM 67 3HE MET 4 -14.420 -13.699 23.708 1.00 0.07 H ATOM 68 N GLY 5 -11.159 -15.943 18.143 1.00 -0.42 N ATOM 69 H GLY 5 -10.552 -16.421 18.810 1.00 0.27 H ATOM 70 CA GLY 5 -10.580 -15.512 16.875 1.00 -0.03 C ATOM 71 1HA GLY 5 -9.567 -15.909 16.822 1.00 0.07 H ATOM 72 2HA GLY 5 -11.162 -15.943 16.059 1.00 0.07 H ATOM 73 C GLY 5 -10.504 -14.006 16.663 1.00 0.60 C ATOM 74 O GLY 5 -10.259 -13.519 15.558 1.00 -0.57 O ATOM 75 N ILE 6 -10.727 -13.262 17.734 1.00 -0.42 N ATOM 76 H ILE 6 -10.853 -13.727 18.612 1.00 0.27 H ATOM 77 CA ILE 6 -10.898 -11.812 17.692 1.00 -0.06 C ATOM 78 HA ILE 6 -11.453 -11.597 16.779 1.00 0.09 H ATOM 79 C ILE 6 -9.698 -10.855 17.640 1.00 0.60 C ATOM 80 O ILE 6 -9.945 -9.663 17.471 1.00 -0.57 O ATOM 81 CB ILE 6 -11.810 -11.378 18.877 1.00 0.13 C ATOM 82 HB ILE 6 -11.839 -10.293 18.916 1.00 0.02 H ATOM 83 CG1 ILE 6 -11.249 -11.890 20.216 1.00 -0.04 C ATOM 84 1HG1 ILE 6 -11.400 -12.967 20.277 1.00 0.02 H ATOM 85 2HG1 ILE 6 -10.176 -11.700 20.237 1.00 0.02 H ATOM 86 CG2 ILE 6 -13.256 -11.874 18.637 1.00 -0.32 C ATOM 87 1HG2 ILE 6 -13.296 -12.960 18.663 1.00 0.09 H ATOM 88 2HG2 ILE 6 -13.927 -11.483 19.403 1.00 0.09 H ATOM 89 3HG2 ILE 6 -13.610 -11.553 17.658 1.00 0.09 H ATOM 90 CD1 ILE 6 -11.866 -11.251 21.469 1.00 -0.07 C ATOM 91 1HD1 ILE 6 -11.430 -11.705 22.358 1.00 0.02 H ATOM 92 2HD1 ILE 6 -11.655 -10.183 21.486 1.00 0.02 H ATOM 93 3HD1 ILE 6 -12.943 -11.407 21.488 1.00 0.02 H ATOM 94 N ILE 7 -8.441 -11.290 17.706 1.00 -0.42 N ATOM 95 H ILE 7 -8.242 -12.291 17.796 1.00 0.27 H ATOM 96 CA ILE 7 -7.311 -10.328 17.670 1.00 -0.06 C ATOM 97 HA ILE 7 -7.559 -9.518 18.351 1.00 0.09 H ATOM 98 C ILE 7 -7.085 -9.692 16.307 1.00 0.60 C ATOM 99 O ILE 7 -6.292 -8.777 16.129 1.00 -0.57 O ATOM 100 CB ILE 7 -5.940 -10.921 18.128 1.00 0.13 C ATOM 101 HB ILE 7 -5.231 -10.095 18.196 1.00 0.02 H ATOM 102 CG1 ILE 7 -5.366 -11.922 17.098 1.00 -0.04 C ATOM 103 1HG1 ILE 7 -6.056 -12.746 16.976 1.00 0.02 H ATOM 104 2HG1 ILE 7 -5.279 -11.427 16.132 1.00 0.02 H ATOM 105 CG2 ILE 7 -6.085 -11.501 19.535 1.00 -0.32 C ATOM 106 1HG2 ILE 7 -6.514 -10.753 20.199 1.00 0.09 H ATOM 107 2HG2 ILE 7 -6.737 -12.362 19.504 1.00 0.09 H ATOM 108 3HG2 ILE 7 -5.108 -11.785 19.925 1.00 0.09 H ATOM 109 CD1 ILE 7 -3.986 -12.502 17.430 1.00 -0.07 C ATOM 110 1HD1 ILE 7 -3.639 -13.106 16.591 1.00 0.02 H ATOM 111 2HD1 ILE 7 -3.275 -11.692 17.603 1.00 0.02 H ATOM 112 3HD1 ILE 7 -4.044 -13.136 18.315 1.00 0.02 H ATOM 113 N LYS 8 -7.812 -10.215 15.335 1.00 -0.35 N ATOM 114 H LYS 8 -8.479 -10.928 15.586 1.00 0.28 H ATOM 115 CA LYS 8 -7.690 -9.856 13.925 1.00 -0.24 C ATOM 116 HA LYS 8 -6.633 -9.762 13.671 1.00 0.14 H ATOM 117 C LYS 8 -8.351 -8.511 13.626 1.00 0.73 C ATOM 118 O LYS 8 -8.400 -8.063 12.488 1.00 -0.59 O ATOM 119 CB LYS 8 -8.286 -11.012 13.115 1.00 -0.01 C ATOM 120 1HB LYS 8 -9.345 -11.101 13.360 1.00 0.04 H ATOM 121 2HB LYS 8 -8.182 -10.804 12.050 1.00 0.04 H ATOM 122 CG LYS 8 -7.582 -12.339 13.452 1.00 0.02 C ATOM 123 1HG LYS 8 -6.526 -12.257 13.194 1.00 0.01 H ATOM 124 2HG LYS 8 -7.659 -12.519 14.521 1.00 0.01 H ATOM 125 CD LYS 8 -8.171 -13.550 12.751 1.00 -0.05 C ATOM 126 1HD LYS 8 -9.239 -13.604 12.966 1.00 0.06 H ATOM 127 2HD LYS 8 -8.028 -13.451 11.674 1.00 0.06 H ATOM 128 CE LYS 8 -7.492 -14.833 13.250 1.00 -0.01 C ATOM 129 1HE LYS 8 -7.877 -15.678 12.677 1.00 0.11 H ATOM 130 2HE LYS 8 -6.417 -14.757 13.077 1.00 0.11 H ATOM 131 NZ LYS 8 -7.740 -15.078 14.718 1.00 -0.38 N ATOM 132 1HZ LYS 8 -8.732 -15.063 14.912 1.00 0.17 H ATOM 133 2HZ LYS 8 -7.350 -15.963 15.019 1.00 0.17 H ATOM 134 3HZ LYS 8 -7.306 -14.358 15.282 1.00 0.17 H ATOM 135 N LYS 9 -8.833 -7.863 14.677 1.00 -0.35 N ATOM 136 H LYS 9 -8.754 -8.292 15.594 1.00 0.28 H ATOM 137 CA LYS 9 -9.344 -6.496 14.652 1.00 -0.24 C ATOM 138 HA LYS 9 -8.892 -5.941 13.829 1.00 0.14 H ATOM 139 C LYS 9 -8.838 -5.946 15.980 1.00 0.73 C ATOM 140 O LYS 9 -8.702 -6.700 16.938 1.00 -0.59 O ATOM 141 CB LYS 9 -10.874 -6.470 14.546 1.00 -0.01 C ATOM 142 1HB LYS 9 -11.221 -5.463 14.776 1.00 0.04 H ATOM 143 2HB LYS 9 -11.152 -6.703 13.517 1.00 0.04 H ATOM 144 CG LYS 9 -11.579 -7.472 15.454 1.00 0.02 C ATOM 145 1HG LYS 9 -11.316 -8.484 15.146 1.00 0.01 H ATOM 146 2HG LYS 9 -11.248 -7.316 16.479 1.00 0.01 H ATOM 147 CD LYS 9 -13.090 -7.333 15.393 1.00 -0.05 C ATOM 148 1HD LYS 9 -13.374 -6.375 15.829 1.00 0.06 H ATOM 149 2HD LYS 9 -13.415 -7.363 14.351 1.00 0.06 H ATOM 150 CE LYS 9 -13.770 -8.467 16.152 1.00 -0.01 C ATOM 151 1HE LYS 9 -14.852 -8.326 16.102 1.00 0.11 H ATOM 152 2HE LYS 9 -13.520 -9.415 15.671 1.00 0.11 H ATOM 153 NZ LYS 9 -13.334 -8.515 17.581 1.00 -0.38 N ATOM 154 1HZ LYS 9 -13.407 -7.592 18.003 1.00 0.17 H ATOM 155 2HZ LYS 9 -13.894 -9.173 18.102 1.00 0.17 H ATOM 156 3HZ LYS 9 -12.359 -8.788 17.630 1.00 0.17 H ATOM 157 N ILE 10 -8.536 -4.657 16.030 1.00 -0.42 N ATOM 158 H ILE 10 -8.680 -4.082 15.216 1.00 0.27 H ATOM 159 CA ILE 10 -7.908 -4.054 17.214 1.00 -0.06 C ATOM 160 HA ILE 10 -7.011 -4.627 17.452 1.00 0.09 H ATOM 161 C ILE 10 -8.841 -4.140 18.423 1.00 0.60 C ATOM 162 O ILE 10 -8.420 -4.465 19.533 1.00 -0.57 O ATOM 163 CB ILE 10 -7.502 -2.570 16.937 1.00 0.13 C ATOM 164 HB ILE 10 -8.411 -2.004 16.730 1.00 0.02 H ATOM 165 CG1 ILE 10 -6.595 -2.462 15.689 1.00 -0.04 C ATOM 166 1HG1 ILE 10 -7.151 -2.807 14.818 1.00 0.02 H ATOM 167 2HG1 ILE 10 -6.379 -1.405 15.528 1.00 0.02 H ATOM 168 CG2 ILE 10 -6.815 -1.928 18.166 1.00 -0.32 C ATOM 169 1HG2 ILE 10 -6.469 -0.922 17.918 1.00 0.09 H ATOM 170 2HG2 ILE 10 -7.521 -1.853 18.995 1.00 0.09 H ATOM 171 3HG2 ILE 10 -5.963 -2.530 18.488 1.00 0.09 H ATOM 172 CD1 ILE 10 -5.245 -3.219 15.724 1.00 -0.07 C ATOM 173 1HD1 ILE 10 -4.712 -3.041 14.789 1.00 0.02 H ATOM 174 2HD1 ILE 10 -4.629 -2.861 16.548 1.00 0.02 H ATOM 175 3HD1 ILE 10 -5.409 -4.292 15.832 1.00 0.02 H ATOM 176 N ALA 11 -10.127 -3.920 18.188 1.00 -0.42 N ATOM 177 H ALA 11 -10.418 -3.648 17.268 1.00 0.27 H ATOM 178 CA ALA 11 -11.151 -4.128 19.208 1.00 0.03 C ATOM 179 HA ALA 11 -10.799 -3.737 20.165 1.00 0.08 H ATOM 180 C ALA 11 -11.376 -5.641 19.340 1.00 0.60 C ATOM 181 O ALA 11 -12.267 -6.197 18.698 1.00 -0.57 O ATOM 182 CB ALA 11 -12.446 -3.399 18.809 1.00 -0.18 C ATOM 183 1HB ALA 11 -12.799 -3.757 17.840 1.00 0.06 H ATOM 184 2HB ALA 11 -13.216 -3.591 19.559 1.00 0.06 H ATOM 185 3HB ALA 11 -12.264 -2.325 18.758 1.00 0.06 H ATOM 186 N GLY 12 -10.525 -6.294 20.116 1.00 -0.42 N ATOM 187 H GLY 12 -9.841 -5.765 20.642 1.00 0.27 H ATOM 188 CA GLY 12 -10.488 -7.745 20.211 1.00 -0.03 C ATOM 189 1HA GLY 12 -11.054 -8.053 21.089 1.00 0.07 H ATOM 190 2HA GLY 12 -10.937 -8.180 19.322 1.00 0.07 H ATOM 191 C GLY 12 -9.073 -8.279 20.344 1.00 0.60 C ATOM 192 O GLY 12 -8.870 -9.455 20.664 1.00 -0.57 O ATOM 193 N ALA 13 -8.084 -7.415 20.136 1.00 -0.42 N ATOM 194 H ALA 13 -8.285 -6.487 19.783 1.00 0.27 H ATOM 195 CA ALA 13 -6.694 -7.761 20.424 1.00 0.03 C ATOM 196 HA ALA 13 -6.434 -8.674 19.901 1.00 0.08 H ATOM 197 C ALA 13 -6.573 -8.007 21.932 1.00 0.60 C ATOM 198 O ALA 13 -6.001 -9.006 22.377 1.00 -0.57 O ATOM 199 CB ALA 13 -5.761 -6.638 19.954 1.00 -0.18 C ATOM 200 1HB ALA 13 -6.023 -5.699 20.442 1.00 0.06 H ATOM 201 2HB ALA 13 -4.731 -6.896 20.201 1.00 0.06 H ATOM 202 3HB ALA 13 -5.849 -6.523 18.872 1.00 0.06 H ATOM 203 N LEU 14 -7.202 -7.112 22.678 1.00 -0.42 N ATOM 204 H LEU 14 -7.644 -6.339 22.220 1.00 0.27 H ATOM 205 CA LEU 14 -7.410 -7.232 24.120 1.00 -0.05 C ATOM 206 HA LEU 14 -6.560 -7.722 24.595 1.00 0.09 H ATOM 207 C LEU 14 -8.652 -8.092 24.308 1.00 0.60 C ATOM 208 O LEU 14 -9.560 -7.940 23.465 1.00 -0.57 O ATOM 209 OXT LEU 14 -8.660 -8.988 25.174 1.00 -0.57 O ATOM 210 CB LEU 14 -7.630 -5.834 24.713 1.00 -0.11 C ATOM 211 1HB LEU 14 -6.754 -5.230 24.485 1.00 0.05 H ATOM 212 2HB LEU 14 -8.487 -5.396 24.203 1.00 0.05 H ATOM 213 CG LEU 14 -7.897 -5.735 26.221 1.00 0.35 C ATOM 214 HG LEU 14 -8.778 -6.325 26.465 1.00 -0.04 H ATOM 215 CD1 LEU 14 -6.722 -6.243 27.047 1.00 -0.41 C ATOM 216 1HD1 LEU 14 -6.588 -7.306 26.859 1.00 0.10 H ATOM 217 2HD1 LEU 14 -5.811 -5.708 26.783 1.00 0.10 H ATOM 218 3HD1 LEU 14 -6.933 -6.107 28.107 1.00 0.10 H ATOM 219 CD2 LEU 14 -8.181 -4.280 26.576 1.00 -0.41 C ATOM 220 1HD2 LEU 14 -7.316 -3.658 26.347 1.00 0.10 H ATOM 221 2HD2 LEU 14 -9.043 -3.928 26.010 1.00 0.10 H ATOM 222 3HD2 LEU 14 -8.410 -4.205 27.639 1.00 0.10 H TER 223 LEU 14 END
SEQUENCE	FDVMGIIKKIAGAL
HELICITY	92.90	INSTAB. INDEX	-6.16	FLEXIBILITY	12.52
a HYD. MOM.	44.10	b HYD. MOM.	22.51	c HYD. MOM	3.51
a MEAN HYD. MOM.	3.15	b MEAN HYD. MOM.	1.61	c MEAN HYD. MOM.	0.25
CHARGE pH5	1.07	CHARGE pH7	1.00	CHARGE pH9	0.77
Δ CHARGE pH5-pH9	0.30	ISOELECTRIC POINT	8.59	BOMAN INDEX	-1.05
ΔG	5	CPP	-0,37	MLP	-0,69
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	Arthropoda	CLASS	Insecta	ORDER	Hymenoptera
FAMILY	Vespidae	GENUS	Eumenes	SPECIES	Eumenes fraterculus
DATE	2011
TITLE PAPER	Chemical and biological characterization of four new linear cationic ?-helical peptides from the venoms of two solitary eumenine wasps