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ID	444	NAME	Mastoparan-like peptide 12d   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\INLKAIAAMAKKLL.pdb REMARK YASARA Written on: Wed May 14 17:36:16 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 235 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 14 ILE ASN LEU LYS ALA ILE ALA ALA MET ALA LYS LYS LEU SEQRES 2 14 LEU ATOM 1 N ILE 1 -11.523 -13.006 8.685 1.00 -0.42 N ATOM 2 1H ILE 1 -11.249 -13.249 7.742 1.00 -0.42 H ATOM 3 2H ILE 1 -12.329 -13.557 8.945 1.00 -0.42 H ATOM 4 3H ILE 1 -11.758 -12.024 8.715 1.00 0.27 H ATOM 5 CA ILE 1 -10.391 -13.289 9.619 1.00 -0.06 C ATOM 6 HA ILE 1 -10.163 -14.352 9.530 1.00 0.09 H ATOM 7 C ILE 1 -10.784 -13.072 11.088 1.00 0.60 C ATOM 8 O ILE 1 -10.637 -13.995 11.875 1.00 -0.57 O ATOM 9 CB ILE 1 -9.094 -12.518 9.195 1.00 0.13 C ATOM 10 HB ILE 1 -8.836 -12.859 8.192 1.00 0.02 H ATOM 11 CG1 ILE 1 -7.934 -12.914 10.128 1.00 -0.04 C ATOM 12 1HG1 ILE 1 -8.106 -12.475 11.111 1.00 0.02 H ATOM 13 2HG1 ILE 1 -7.943 -13.999 10.238 1.00 0.02 H ATOM 14 CG2 ILE 1 -9.287 -10.969 9.114 1.00 -0.32 C ATOM 15 1HG2 ILE 1 -9.406 -10.533 10.109 1.00 0.09 H ATOM 16 2HG2 ILE 1 -8.394 -10.520 8.669 1.00 0.09 H ATOM 17 3HG2 ILE 1 -10.128 -10.695 8.478 1.00 0.09 H ATOM 18 CD1 ILE 1 -6.535 -12.502 9.655 1.00 -0.07 C ATOM 19 1HD1 ILE 1 -6.341 -12.899 8.657 1.00 0.02 H ATOM 20 2HD1 ILE 1 -6.441 -11.415 9.640 1.00 0.02 H ATOM 21 3HD1 ILE 1 -5.789 -12.904 10.343 1.00 0.02 H ATOM 22 N ASN 2 -11.301 -11.914 11.490 1.00 -0.42 N ATOM 23 H ASN 2 -11.531 -11.190 10.829 1.00 0.27 H ATOM 24 CA ASN 2 -11.413 -11.560 12.915 1.00 0.01 C ATOM 25 HA ASN 2 -10.433 -11.741 13.355 1.00 0.10 H ATOM 26 C ASN 2 -12.432 -12.309 13.792 1.00 0.60 C ATOM 27 O ASN 2 -12.621 -11.969 14.946 1.00 -0.57 O ATOM 28 CB ASN 2 -11.693 -10.051 13.019 1.00 -0.20 C ATOM 29 1HB ASN 2 -11.171 -9.534 12.216 1.00 0.08 H ATOM 30 2HB ASN 2 -12.763 -9.872 12.920 1.00 0.08 H ATOM 31 CG ASN 2 -11.211 -9.458 14.327 1.00 0.71 C ATOM 32 OD1 ASN 2 -10.197 -9.872 14.849 1.00 -0.59 O ATOM 33 ND2 ASN 2 -11.902 -8.478 14.835 1.00 -0.92 N ATOM 34 1HD2 ASN 2 -11.560 -8.055 15.687 1.00 0.42 H ATOM 35 2HD2 ASN 2 -12.743 -8.153 14.396 1.00 0.42 H ATOM 36 N LEU 3 -13.074 -13.340 13.256 1.00 -0.42 N ATOM 37 H LEU 3 -12.774 -13.673 12.357 1.00 0.27 H ATOM 38 CA LEU 3 -14.193 -14.027 13.913 1.00 -0.05 C ATOM 39 HA LEU 3 -15.021 -13.322 14.005 1.00 0.09 H ATOM 40 C LEU 3 -13.893 -14.541 15.321 1.00 0.60 C ATOM 41 O LEU 3 -14.741 -14.471 16.197 1.00 -0.57 O ATOM 42 CB LEU 3 -14.627 -15.200 13.022 1.00 -0.11 C ATOM 43 1HB LEU 3 -14.841 -14.802 12.031 1.00 0.05 H ATOM 44 2HB LEU 3 -13.777 -15.876 12.932 1.00 0.05 H ATOM 45 CG LEU 3 -15.837 -16.044 13.459 1.00 0.35 C ATOM 46 HG LEU 3 -15.625 -16.480 14.434 1.00 -0.04 H ATOM 47 CD1 LEU 3 -17.121 -15.229 13.563 1.00 -0.41 C ATOM 48 1HD1 LEU 3 -17.342 -14.731 12.617 1.00 0.10 H ATOM 49 2HD1 LEU 3 -17.957 -15.881 13.821 1.00 0.10 H ATOM 50 3HD1 LEU 3 -17.027 -14.481 14.352 1.00 0.10 H ATOM 51 CD2 LEU 3 -16.034 -17.190 12.467 1.00 -0.41 C ATOM 52 1HD2 LEU 3 -16.274 -16.794 11.477 1.00 0.10 H ATOM 53 2HD2 LEU 3 -15.133 -17.797 12.402 1.00 0.10 H ATOM 54 3HD2 LEU 3 -16.863 -17.819 12.794 1.00 0.10 H ATOM 55 N LYS 4 -12.683 -15.039 15.544 1.00 -0.35 N ATOM 56 H LYS 4 -12.040 -15.121 14.775 1.00 0.28 H ATOM 57 CA LYS 4 -12.265 -15.445 16.893 1.00 -0.24 C ATOM 58 HA LYS 4 -13.091 -15.283 17.587 1.00 0.14 H ATOM 59 C LYS 4 -11.113 -14.607 17.427 1.00 0.73 C ATOM 60 O LYS 4 -10.889 -14.553 18.629 1.00 -0.59 O ATOM 61 CB LYS 4 -11.929 -16.938 16.930 1.00 -0.01 C ATOM 62 1HB LYS 4 -11.182 -17.161 16.168 1.00 0.04 H ATOM 63 2HB LYS 4 -11.510 -17.172 17.910 1.00 0.04 H ATOM 64 CG LYS 4 -13.163 -17.813 16.718 1.00 0.02 C ATOM 65 1HG LYS 4 -13.909 -17.542 17.465 1.00 0.01 H ATOM 66 2HG LYS 4 -13.574 -17.628 15.726 1.00 0.01 H ATOM 67 CD LYS 4 -12.845 -19.297 16.862 1.00 -0.05 C ATOM 68 1HD LYS 4 -12.150 -19.597 16.077 1.00 0.06 H ATOM 69 2HD LYS 4 -12.370 -19.461 17.831 1.00 0.06 H ATOM 70 CE LYS 4 -14.112 -20.156 16.792 1.00 -0.01 C ATOM 71 1HE LYS 4 -13.835 -21.195 16.986 1.00 0.11 H ATOM 72 2HE LYS 4 -14.791 -19.834 17.586 1.00 0.11 H ATOM 73 NZ LYS 4 -14.831 -20.077 15.472 1.00 -0.38 N ATOM 74 1HZ LYS 4 -15.650 -20.671 15.491 1.00 0.17 H ATOM 75 2HZ LYS 4 -15.121 -19.124 15.297 1.00 0.17 H ATOM 76 3HZ LYS 4 -14.219 -20.383 14.727 1.00 0.17 H ATOM 77 N ALA 5 -10.423 -13.896 16.547 1.00 -0.42 N ATOM 78 H ALA 5 -10.654 -13.931 15.575 1.00 0.27 H ATOM 79 CA ALA 5 -9.333 -13.024 16.973 1.00 0.03 C ATOM 80 HA ALA 5 -8.687 -13.579 17.656 1.00 0.08 H ATOM 81 C ALA 5 -9.885 -11.813 17.739 1.00 0.60 C ATOM 82 O ALA 5 -9.193 -11.238 18.573 1.00 -0.57 O ATOM 83 CB ALA 5 -8.495 -12.600 15.766 1.00 -0.18 C ATOM 84 1HB ALA 5 -7.714 -11.911 16.094 1.00 0.06 H ATOM 85 2HB ALA 5 -8.027 -13.474 15.312 1.00 0.06 H ATOM 86 3HB ALA 5 -9.117 -12.096 15.033 1.00 0.06 H ATOM 87 N ILE 6 -11.159 -11.499 17.550 1.00 -0.42 N ATOM 88 H ILE 6 -11.689 -11.947 16.813 1.00 0.27 H ATOM 89 CA ILE 6 -11.834 -10.489 18.362 1.00 -0.06 C ATOM 90 HA ILE 6 -11.278 -9.558 18.255 1.00 0.09 H ATOM 91 C ILE 6 -11.826 -10.840 19.858 1.00 0.60 C ATOM 92 O ILE 6 -11.763 -9.948 20.696 1.00 -0.57 O ATOM 93 CB ILE 6 -13.274 -10.235 17.822 1.00 0.13 C ATOM 94 HB ILE 6 -13.192 -10.117 16.744 1.00 0.02 H ATOM 95 CG1 ILE 6 -13.818 -8.910 18.384 1.00 -0.04 C ATOM 96 1HG1 ILE 6 -14.038 -9.041 19.444 1.00 0.02 H ATOM 97 2HG1 ILE 6 -13.036 -8.155 18.294 1.00 0.02 H ATOM 98 CG2 ILE 6 -14.217 -11.439 18.081 1.00 -0.32 C ATOM 99 1HG2 ILE 6 -14.418 -11.548 19.148 1.00 0.09 H ATOM 100 2HG2 ILE 6 -15.164 -11.285 17.562 1.00 0.09 H ATOM 101 3HG2 ILE 6 -13.778 -12.359 17.697 1.00 0.09 H ATOM 102 CD1 ILE 6 -15.074 -8.373 17.689 1.00 -0.07 C ATOM 103 1HD1 ILE 6 -14.891 -8.264 16.619 1.00 0.02 H ATOM 104 2HD1 ILE 6 -15.913 -9.052 17.848 1.00 0.02 H ATOM 105 3HD1 ILE 6 -15.328 -7.399 18.107 1.00 0.02 H ATOM 106 N ALA 7 -11.793 -12.114 20.232 1.00 -0.42 N ATOM 107 H ALA 7 -11.807 -12.851 19.539 1.00 0.27 H ATOM 108 CA ALA 7 -11.713 -12.467 21.648 1.00 0.03 C ATOM 109 HA ALA 7 -12.468 -11.901 22.196 1.00 0.08 H ATOM 110 C ALA 7 -10.332 -12.087 22.196 1.00 0.60 C ATOM 111 O ALA 7 -10.188 -11.627 23.327 1.00 -0.57 O ATOM 112 CB ALA 7 -11.984 -13.964 21.833 1.00 -0.18 C ATOM 113 1HB ALA 7 -11.237 -14.552 21.297 1.00 0.06 H ATOM 114 2HB ALA 7 -11.938 -14.212 22.895 1.00 0.06 H ATOM 115 3HB ALA 7 -12.977 -14.208 21.455 1.00 0.06 H ATOM 116 N ALA 8 -9.310 -12.232 21.364 1.00 -0.42 N ATOM 117 H ALA 8 -9.477 -12.589 20.434 1.00 0.27 H ATOM 118 CA ALA 8 -7.951 -11.863 21.746 1.00 0.03 C ATOM 119 HA ALA 8 -7.748 -12.265 22.740 1.00 0.08 H ATOM 120 C ALA 8 -7.807 -10.338 21.809 1.00 0.60 C ATOM 121 O ALA 8 -6.938 -9.827 22.519 1.00 -0.57 O ATOM 122 CB ALA 8 -6.943 -12.471 20.760 1.00 -0.18 C ATOM 123 1HB ALA 8 -7.082 -12.044 19.766 1.00 0.06 H ATOM 124 2HB ALA 8 -5.929 -12.263 21.100 1.00 0.06 H ATOM 125 3HB ALA 8 -7.084 -13.552 20.710 1.00 0.06 H ATOM 126 N MET 9 -8.652 -9.614 21.086 1.00 -0.42 N ATOM 127 H MET 9 -9.283 -10.085 20.445 1.00 0.27 H ATOM 128 CA MET 9 -8.720 -8.154 21.206 1.00 -0.02 C ATOM 129 HA MET 9 -7.712 -7.754 21.240 1.00 0.09 H ATOM 130 C MET 9 -9.437 -7.757 22.495 1.00 0.60 C ATOM 131 O MET 9 -8.945 -6.917 23.241 1.00 -0.57 O ATOM 132 CB MET 9 -9.462 -7.525 20.021 1.00 0.03 C ATOM 133 1HB MET 9 -10.466 -7.936 19.976 1.00 0.02 H ATOM 134 2HB MET 9 -9.546 -6.454 20.202 1.00 0.02 H ATOM 135 CG MET 9 -8.800 -7.740 18.667 1.00 0.00 C ATOM 136 1HG MET 9 -7.821 -7.263 18.662 1.00 0.04 H ATOM 137 2HG MET 9 -8.671 -8.808 18.501 1.00 0.04 H ATOM 138 SD MET 9 -9.805 -7.075 17.318 1.00 -0.27 S ATOM 139 CE MET 9 -9.591 -5.290 17.482 1.00 -0.05 C ATOM 140 1HE MET 9 -9.986 -4.955 18.441 1.00 0.07 H ATOM 141 2HE MET 9 -8.532 -5.039 17.414 1.00 0.07 H ATOM 142 3HE MET 9 -10.129 -4.786 16.679 1.00 0.07 H ATOM 143 N ALA 10 -10.569 -8.387 22.780 1.00 -0.42 N ATOM 144 H ALA 10 -10.929 -9.082 22.129 1.00 0.27 H ATOM 145 CA ALA 10 -11.368 -8.085 23.968 1.00 0.03 C ATOM 146 HA ALA 10 -11.608 -7.020 23.967 1.00 0.08 H ATOM 147 C ALA 10 -10.610 -8.391 25.261 1.00 0.60 C ATOM 148 O ALA 10 -10.792 -7.738 26.281 1.00 -0.57 O ATOM 149 CB ALA 10 -12.677 -8.884 23.910 1.00 -0.18 C ATOM 150 1HB ALA 10 -13.220 -8.638 22.996 1.00 0.06 H ATOM 151 2HB ALA 10 -12.464 -9.954 23.926 1.00 0.06 H ATOM 152 3HB ALA 10 -13.295 -8.629 24.772 1.00 0.06 H ATOM 153 N LYS 11 -9.712 -9.364 25.190 1.00 -0.35 N ATOM 154 H LYS 11 -9.646 -9.900 24.330 1.00 0.28 H ATOM 155 CA LYS 11 -8.842 -9.717 26.313 1.00 -0.24 C ATOM 156 HA LYS 11 -9.470 -10.022 27.150 1.00 0.14 H ATOM 157 C LYS 11 -7.980 -8.557 26.813 1.00 0.73 C ATOM 158 O LYS 11 -7.605 -8.557 27.980 1.00 -0.59 O ATOM 159 CB LYS 11 -7.958 -10.907 25.894 1.00 -0.01 C ATOM 160 1HB LYS 11 -8.615 -11.689 25.514 1.00 0.04 H ATOM 161 2HB LYS 11 -7.304 -10.595 25.082 1.00 0.04 H ATOM 162 CG LYS 11 -7.101 -11.518 27.009 1.00 0.02 C ATOM 163 1HG LYS 11 -7.562 -11.283 27.967 1.00 0.01 H ATOM 164 2HG LYS 11 -7.084 -12.602 26.895 1.00 0.01 H ATOM 165 CD LYS 11 -5.651 -11.002 26.979 1.00 -0.05 C ATOM 166 1HD LYS 11 -5.111 -11.521 26.187 1.00 0.06 H ATOM 167 2HD LYS 11 -5.647 -9.936 26.755 1.00 0.06 H ATOM 168 CE LYS 11 -4.925 -11.206 28.308 1.00 -0.01 C ATOM 169 1HE LYS 11 -5.000 -12.251 28.613 1.00 0.11 H ATOM 170 2HE LYS 11 -3.871 -10.952 28.175 1.00 0.11 H ATOM 171 NZ LYS 11 -5.493 -10.321 29.374 1.00 -0.38 N ATOM 172 1HZ LYS 11 -4.929 -10.360 30.216 1.00 0.17 H ATOM 173 2HZ LYS 11 -5.465 -9.347 29.064 1.00 0.17 H ATOM 174 3HZ LYS 11 -6.450 -10.560 29.579 1.00 0.17 H ATOM 175 N LYS 12 -7.642 -7.594 25.960 1.00 -0.35 N ATOM 176 H LYS 12 -8.116 -7.543 25.063 1.00 0.28 H ATOM 177 CA LYS 12 -6.588 -6.603 26.245 1.00 -0.24 C ATOM 178 HA LYS 12 -5.767 -7.131 26.736 1.00 0.14 H ATOM 179 C LYS 12 -6.968 -5.455 27.183 1.00 0.73 C ATOM 180 O LYS 12 -6.424 -4.362 27.087 1.00 -0.59 O ATOM 181 CB LYS 12 -6.051 -6.008 24.938 1.00 -0.01 C ATOM 182 1HB LYS 12 -6.826 -5.385 24.490 1.00 0.04 H ATOM 183 2HB LYS 12 -5.192 -5.377 25.171 1.00 0.04 H ATOM 184 CG LYS 12 -5.617 -7.043 23.920 1.00 0.02 C ATOM 185 1HG LYS 12 -4.958 -7.767 24.400 1.00 0.01 H ATOM 186 2HG LYS 12 -6.497 -7.554 23.545 1.00 0.01 H ATOM 187 CD LYS 12 -4.889 -6.391 22.754 1.00 -0.05 C ATOM 188 1HD LYS 12 -5.442 -5.506 22.434 1.00 0.06 H ATOM 189 2HD LYS 12 -3.900 -6.078 23.092 1.00 0.06 H ATOM 190 CE LYS 12 -4.750 -7.334 21.560 1.00 -0.01 C ATOM 191 1HE LYS 12 -5.730 -7.446 21.094 1.00 0.11 H ATOM 192 2HE LYS 12 -4.077 -6.879 20.830 1.00 0.11 H ATOM 193 NZ LYS 12 -4.250 -8.697 21.935 1.00 -0.38 N ATOM 194 1HZ LYS 12 -3.410 -8.618 22.490 1.00 0.17 H ATOM 195 2HZ LYS 12 -4.970 -9.175 22.472 1.00 0.17 H ATOM 196 3HZ LYS 12 -4.061 -9.236 21.102 1.00 0.17 H ATOM 197 N LEU 13 -7.891 -5.717 28.092 1.00 -0.42 N ATOM 198 H LEU 13 -8.321 -6.631 28.093 1.00 0.27 H ATOM 199 CA LEU 13 -8.238 -4.798 29.175 1.00 -0.05 C ATOM 200 HA LEU 13 -7.950 -3.784 28.900 1.00 0.09 H ATOM 201 C LEU 13 -7.434 -5.188 30.420 1.00 0.60 C ATOM 202 O LEU 13 -7.584 -4.598 31.489 1.00 -0.57 O ATOM 203 CB LEU 13 -9.757 -4.832 29.413 1.00 -0.11 C ATOM 204 1HB LEU 13 -9.975 -4.180 30.259 1.00 0.05 H ATOM 205 2HB LEU 13 -10.204 -4.370 28.534 1.00 0.05 H ATOM 206 CG LEU 13 -10.512 -6.160 29.630 1.00 0.35 C ATOM 207 HG LEU 13 -10.265 -6.834 28.813 1.00 -0.04 H ATOM 208 CD1 LEU 13 -10.205 -6.882 30.941 1.00 -0.41 C ATOM 209 1HD1 LEU 13 -10.342 -6.203 31.784 1.00 0.10 H ATOM 210 2HD1 LEU 13 -10.857 -7.747 31.055 1.00 0.10 H ATOM 211 3HD1 LEU 13 -9.174 -7.228 30.928 1.00 0.10 H ATOM 212 CD2 LEU 13 -12.016 -5.882 29.562 1.00 -0.41 C ATOM 213 1HD2 LEU 13 -12.263 -5.446 28.593 1.00 0.10 H ATOM 214 2HD2 LEU 13 -12.567 -6.816 29.665 1.00 0.10 H ATOM 215 3HD2 LEU 13 -12.310 -5.196 30.357 1.00 0.10 H ATOM 216 N LEU 14 -6.603 -6.211 30.250 1.00 -0.42 N ATOM 217 H LEU 14 -6.513 -6.626 29.329 1.00 0.27 H ATOM 218 CA LEU 14 -5.723 -6.792 31.259 1.00 -0.05 C ATOM 219 HA LEU 14 -5.192 -6.013 31.805 1.00 0.09 H ATOM 220 C LEU 14 -4.761 -7.589 30.381 1.00 0.60 C ATOM 221 O LEU 14 -3.922 -8.376 30.856 1.00 -0.57 O ATOM 222 OXT LEU 14 -5.004 -7.523 29.150 1.00 -0.57 O ATOM 223 CB LEU 14 -6.533 -7.694 32.210 1.00 -0.11 C ATOM 224 1HB LEU 14 -7.344 -7.083 32.605 1.00 0.05 H ATOM 225 2HB LEU 14 -6.984 -8.479 31.607 1.00 0.05 H ATOM 226 CG LEU 14 -5.855 -8.360 33.416 1.00 0.35 C ATOM 227 HG LEU 14 -5.088 -9.045 33.064 1.00 -0.04 H ATOM 228 CD1 LEU 14 -5.206 -7.338 34.342 1.00 -0.41 C ATOM 229 1HD1 LEU 14 -4.802 -7.837 35.221 1.00 0.10 H ATOM 230 2HD1 LEU 14 -4.387 -6.847 33.816 1.00 0.10 H ATOM 231 3HD1 LEU 14 -5.937 -6.588 34.647 1.00 0.10 H ATOM 232 CD2 LEU 14 -6.896 -9.167 34.186 1.00 -0.41 C ATOM 233 1HD2 LEU 14 -7.679 -8.506 34.563 1.00 0.10 H ATOM 234 2HD2 LEU 14 -7.340 -9.916 33.532 1.00 0.10 H ATOM 235 3HD2 LEU 14 -6.418 -9.672 35.025 1.00 0.10 H TER 236 LEU 14 END
SEQUENCE	INLKAIAAMAKKLL
HELICITY	92.90	INSTAB. INDEX	5.97	FLEXIBILITY	10.27
a HYD. MOM.	37.84	b HYD. MOM.	13.58	c HYD. MOM	3.00
a MEAN HYD. MOM.	2.70	b MEAN HYD. MOM.	0.97	c MEAN HYD. MOM.	0.21
CHARGE pH5	3.00	CHARGE pH7	3.00	CHARGE pH9	2.74
Δ CHARGE pH5-pH9	0.26	ISOELECTRIC POINT	10.30	BOMAN INDEX	-0.78
ΔG	5	CPP	0,15	MLP	-6,81
MOLECULAR VOLUME		POLARITY
MIC E. coli	1	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	0,71	MIC M. luteus		MIC B. subtilis
MIC C. albicans	6	OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Arthropoda	CLASS	Insecta	ORDER	Hymenoptera
FAMILY	Vespidae	GENUS	Vespa	SPECIES	Vespa magnifica
DATE	2006
TITLE PAPER	The mastoparanogen from wasp.