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ID	682	NAME	Bombolitin 1   Blast NCBI-PROT
LENGTH	17	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\IKITTMLAKLGKVLAHV.pdb REMARK YASARA Written on: Mon May 19 16:58:19 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 286 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 17 ILE LYS ILE THR THR MET LEU ALA LYS LEU GLY LYS VAL SEQRES 2 17 LEU ALA HIS VAL ATOM 1 N ILE 1 -11.271 -22.517 18.036 1.00 -0.42 N ATOM 2 1H ILE 1 -10.988 -23.480 17.925 1.00 -0.42 H ATOM 3 2H ILE 1 -10.506 -21.906 17.784 1.00 -0.42 H ATOM 4 3H ILE 1 -11.517 -22.344 19.003 1.00 0.27 H ATOM 5 CA ILE 1 -12.451 -22.228 17.162 1.00 -0.06 C ATOM 6 HA ILE 1 -12.159 -22.374 16.123 1.00 0.09 H ATOM 7 C ILE 1 -12.856 -20.772 17.332 1.00 0.60 C ATOM 8 O ILE 1 -12.262 -20.114 18.168 1.00 -0.57 O ATOM 9 CB ILE 1 -13.629 -23.199 17.479 1.00 0.13 C ATOM 10 HB ILE 1 -14.473 -22.920 16.847 1.00 0.02 H ATOM 11 CG1 ILE 1 -14.073 -23.078 18.951 1.00 -0.04 C ATOM 12 1HG1 ILE 1 -13.284 -23.471 19.592 1.00 0.02 H ATOM 13 2HG1 ILE 1 -14.209 -22.025 19.192 1.00 0.02 H ATOM 14 CG2 ILE 1 -13.235 -24.656 17.117 1.00 -0.32 C ATOM 15 1HG2 ILE 1 -12.841 -24.711 16.099 1.00 0.09 H ATOM 16 2HG2 ILE 1 -12.497 -25.059 17.815 1.00 0.09 H ATOM 17 3HG2 ILE 1 -14.119 -25.298 17.156 1.00 0.09 H ATOM 18 CD1 ILE 1 -15.375 -23.809 19.299 1.00 -0.07 C ATOM 19 1HD1 ILE 1 -15.257 -24.886 19.168 1.00 0.02 H ATOM 20 2HD1 ILE 1 -15.630 -23.617 20.342 1.00 0.02 H ATOM 21 3HD1 ILE 1 -16.190 -23.455 18.666 1.00 0.02 H ATOM 22 N LYS 2 -13.809 -20.233 16.576 1.00 -0.35 N ATOM 23 H LYS 2 -14.342 -20.799 15.931 1.00 0.28 H ATOM 24 CA LYS 2 -14.046 -18.779 16.610 1.00 -0.24 C ATOM 25 HA LYS 2 -13.090 -18.303 16.369 1.00 0.14 H ATOM 26 C LYS 2 -14.441 -18.172 17.958 1.00 0.73 C ATOM 27 O LYS 2 -14.062 -17.047 18.237 1.00 -0.59 O ATOM 28 CB LYS 2 -15.038 -18.334 15.520 1.00 -0.01 C ATOM 29 1HB LYS 2 -15.057 -17.243 15.524 1.00 0.04 H ATOM 30 2HB LYS 2 -14.649 -18.659 14.555 1.00 0.04 H ATOM 31 CG LYS 2 -16.484 -18.838 15.662 1.00 0.02 C ATOM 32 1HG LYS 2 -16.511 -19.914 15.492 1.00 0.01 H ATOM 33 2HG LYS 2 -16.826 -18.639 16.677 1.00 0.01 H ATOM 34 CD LYS 2 -17.463 -18.142 14.699 1.00 -0.05 C ATOM 35 1HD LYS 2 -18.477 -18.438 14.975 1.00 0.06 H ATOM 36 2HD LYS 2 -17.376 -17.063 14.833 1.00 0.06 H ATOM 37 CE LYS 2 -17.244 -18.482 13.216 1.00 -0.01 C ATOM 38 1HE LYS 2 -16.234 -18.187 12.924 1.00 0.11 H ATOM 39 2HE LYS 2 -17.345 -19.561 13.080 1.00 0.11 H ATOM 40 NZ LYS 2 -18.240 -17.775 12.327 1.00 -0.38 N ATOM 41 1HZ LYS 2 -19.182 -18.049 12.574 1.00 0.17 H ATOM 42 2HZ LYS 2 -18.149 -16.773 12.432 1.00 0.17 H ATOM 43 3HZ LYS 2 -18.072 -18.018 11.358 1.00 0.17 H ATOM 44 N ILE 3 -15.127 -18.895 18.831 1.00 -0.42 N ATOM 45 H ILE 3 -15.454 -19.816 18.603 1.00 0.27 H ATOM 46 CA ILE 3 -15.442 -18.330 20.147 1.00 -0.06 C ATOM 47 HA ILE 3 -15.789 -17.307 19.995 1.00 0.09 H ATOM 48 C ILE 3 -14.190 -18.235 21.025 1.00 0.60 C ATOM 49 O ILE 3 -14.097 -17.374 21.884 1.00 -0.57 O ATOM 50 CB ILE 3 -16.593 -19.092 20.867 1.00 0.13 C ATOM 51 HB ILE 3 -16.822 -18.554 21.789 1.00 0.02 H ATOM 52 CG1 ILE 3 -16.184 -20.531 21.238 1.00 -0.04 C ATOM 53 1HG1 ILE 3 -16.056 -21.100 20.320 1.00 0.02 H ATOM 54 2HG1 ILE 3 -15.230 -20.506 21.760 1.00 0.02 H ATOM 55 CG2 ILE 3 -17.861 -19.078 19.971 1.00 -0.32 C ATOM 56 1HG2 ILE 3 -17.740 -19.720 19.101 1.00 0.09 H ATOM 57 2HG2 ILE 3 -18.720 -19.428 20.548 1.00 0.09 H ATOM 58 3HG2 ILE 3 -18.076 -18.058 19.648 1.00 0.09 H ATOM 59 CD1 ILE 3 -17.172 -21.284 22.135 1.00 -0.07 C ATOM 60 1HD1 ILE 3 -18.112 -21.454 21.610 1.00 0.02 H ATOM 61 2HD1 ILE 3 -16.747 -22.249 22.412 1.00 0.02 H ATOM 62 3HD1 ILE 3 -17.363 -20.709 23.043 1.00 0.02 H ATOM 63 N THR 4 -13.184 -19.057 20.760 1.00 -0.42 N ATOM 64 H THR 4 -13.262 -19.750 20.033 1.00 0.27 H ATOM 65 CA THR 4 -11.922 -18.979 21.488 1.00 -0.04 C ATOM 66 HA THR 4 -12.121 -18.885 22.557 1.00 0.10 H ATOM 67 C THR 4 -11.147 -17.757 21.013 1.00 0.60 C ATOM 68 O THR 4 -10.451 -17.111 21.782 1.00 -0.57 O ATOM 69 CB THR 4 -11.070 -20.233 21.226 1.00 0.37 C ATOM 70 HB THR 4 -10.431 -20.060 20.360 1.00 0.00 H ATOM 71 OG1 THR 4 -11.940 -21.337 20.943 1.00 -0.68 O ATOM 72 HG1 THR 4 -12.308 -21.629 21.786 1.00 0.41 H ATOM 73 CG2 THR 4 -10.222 -20.603 22.423 1.00 -0.24 C ATOM 74 1HG2 THR 4 -10.852 -20.791 23.294 1.00 0.06 H ATOM 75 2HG2 THR 4 -9.643 -21.500 22.199 1.00 0.06 H ATOM 76 3HG2 THR 4 -9.531 -19.788 22.652 1.00 0.06 H ATOM 77 N THR 5 -11.314 -17.406 19.747 1.00 -0.42 N ATOM 78 H THR 5 -11.871 -17.977 19.127 1.00 0.27 H ATOM 79 CA THR 5 -10.702 -16.200 19.199 1.00 -0.04 C ATOM 80 HA THR 5 -9.634 -16.217 19.413 1.00 0.10 H ATOM 81 C THR 5 -11.323 -14.964 19.847 1.00 0.60 C ATOM 82 O THR 5 -10.626 -14.011 20.196 1.00 -0.57 O ATOM 83 CB THR 5 -10.920 -16.153 17.672 1.00 0.37 C ATOM 84 HB THR 5 -11.965 -15.932 17.465 1.00 0.00 H ATOM 85 OG1 THR 5 -10.609 -17.438 17.124 1.00 -0.68 O ATOM 86 HG1 THR 5 -9.659 -17.471 16.982 1.00 0.41 H ATOM 87 CG2 THR 5 -10.041 -15.125 16.988 1.00 -0.24 C ATOM 88 1HG2 THR 5 -10.301 -14.125 17.337 1.00 0.06 H ATOM 89 2HG2 THR 5 -8.990 -15.321 17.205 1.00 0.06 H ATOM 90 3HG2 THR 5 -10.202 -15.175 15.911 1.00 0.06 H ATOM 91 N MET 6 -12.631 -14.997 20.065 1.00 -0.42 N ATOM 92 H MET 6 -13.178 -15.786 19.744 1.00 0.27 H ATOM 93 CA MET 6 -13.304 -13.896 20.752 1.00 -0.02 C ATOM 94 HA MET 6 -12.979 -12.959 20.302 1.00 0.09 H ATOM 95 C MET 6 -12.925 -13.847 22.227 1.00 0.60 C ATOM 96 O MET 6 -12.728 -12.772 22.773 1.00 -0.57 O ATOM 97 CB MET 6 -14.824 -14.000 20.618 1.00 0.03 C ATOM 98 1HB MET 6 -15.157 -14.948 21.040 1.00 0.02 H ATOM 99 2HB MET 6 -15.273 -13.190 21.192 1.00 0.02 H ATOM 100 CG MET 6 -15.320 -13.898 19.182 1.00 0.00 C ATOM 101 1HG MET 6 -14.914 -14.723 18.600 1.00 0.04 H ATOM 102 2HG MET 6 -16.408 -13.971 19.180 1.00 0.04 H ATOM 103 SD MET 6 -14.831 -12.340 18.403 1.00 -0.27 S ATOM 104 CE MET 6 -15.584 -12.500 16.783 1.00 -0.05 C ATOM 105 1HE MET 6 -16.664 -12.607 16.892 1.00 0.07 H ATOM 106 2HE MET 6 -15.372 -11.608 16.194 1.00 0.07 H ATOM 107 3HE MET 6 -15.179 -13.375 16.274 1.00 0.07 H ATOM 108 N LEU 7 -12.746 -14.992 22.868 1.00 -0.42 N ATOM 109 H LEU 7 -12.960 -15.870 22.406 1.00 0.27 H ATOM 110 CA LEU 7 -12.273 -15.017 24.251 1.00 -0.05 C ATOM 111 HA LEU 7 -12.938 -14.406 24.859 1.00 0.09 H ATOM 112 C LEU 7 -10.866 -14.428 24.346 1.00 0.60 C ATOM 113 O LEU 7 -10.572 -13.632 25.233 1.00 -0.57 O ATOM 114 CB LEU 7 -12.282 -16.456 24.778 1.00 -0.11 C ATOM 115 1HB LEU 7 -13.283 -16.861 24.631 1.00 0.05 H ATOM 116 2HB LEU 7 -11.594 -17.039 24.170 1.00 0.05 H ATOM 117 CG LEU 7 -11.892 -16.668 26.249 1.00 0.35 C ATOM 118 HG LEU 7 -10.888 -16.276 26.404 1.00 -0.04 H ATOM 119 CD1 LEU 7 -12.840 -15.964 27.221 1.00 -0.41 C ATOM 120 1HD1 LEU 7 -12.774 -14.884 27.088 1.00 0.10 H ATOM 121 2HD1 LEU 7 -13.868 -16.289 27.053 1.00 0.10 H ATOM 122 3HD1 LEU 7 -12.554 -16.196 28.247 1.00 0.10 H ATOM 123 CD2 LEU 7 -11.867 -18.165 26.550 1.00 -0.41 C ATOM 124 1HD2 LEU 7 -12.858 -18.598 26.406 1.00 0.10 H ATOM 125 2HD2 LEU 7 -11.153 -18.662 25.893 1.00 0.10 H ATOM 126 3HD2 LEU 7 -11.553 -18.325 27.582 1.00 0.10 H ATOM 127 N ALA 8 -10.007 -14.758 23.392 1.00 -0.42 N ATOM 128 H ALA 8 -10.280 -15.437 22.687 1.00 0.27 H ATOM 129 CA ALA 8 -8.665 -14.189 23.345 1.00 0.03 C ATOM 130 HA ALA 8 -8.183 -14.370 24.306 1.00 0.08 H ATOM 131 C ALA 8 -8.715 -12.674 23.119 1.00 0.60 C ATOM 132 O ALA 8 -7.904 -11.937 23.681 1.00 -0.57 O ATOM 133 CB ALA 8 -7.847 -14.880 22.246 1.00 -0.18 C ATOM 134 1HB ALA 8 -6.830 -14.491 22.246 1.00 0.06 H ATOM 135 2HB ALA 8 -7.817 -15.955 22.434 1.00 0.06 H ATOM 136 3HB ALA 8 -8.303 -14.703 21.271 1.00 0.06 H ATOM 137 N LYS 9 -9.665 -12.207 22.317 1.00 -0.35 N ATOM 138 H LYS 9 -10.274 -12.872 21.842 1.00 0.28 H ATOM 139 CA LYS 9 -9.868 -10.770 22.095 1.00 -0.24 C ATOM 140 HA LYS 9 -8.926 -10.328 21.779 1.00 0.14 H ATOM 141 C LYS 9 -10.302 -10.089 23.390 1.00 0.73 C ATOM 142 O LYS 9 -9.750 -9.053 23.757 1.00 -0.59 O ATOM 143 CB LYS 9 -10.937 -10.550 21.012 1.00 -0.01 C ATOM 144 1HB LYS 9 -10.699 -11.175 20.154 1.00 0.04 H ATOM 145 2HB LYS 9 -11.891 -10.887 21.406 1.00 0.04 H ATOM 146 CG LYS 9 -11.130 -9.100 20.550 1.00 0.02 C ATOM 147 1HG LYS 9 -12.109 -9.017 20.077 1.00 0.01 H ATOM 148 2HG LYS 9 -11.126 -8.448 21.423 1.00 0.01 H ATOM 149 CD LYS 9 -10.080 -8.599 19.556 1.00 -0.05 C ATOM 150 1HD LYS 9 -10.172 -7.514 19.486 1.00 0.06 H ATOM 151 2HD LYS 9 -9.081 -8.841 19.921 1.00 0.06 H ATOM 152 CE LYS 9 -10.290 -9.199 18.161 1.00 -0.01 C ATOM 153 1HE LYS 9 -10.181 -10.284 18.215 1.00 0.11 H ATOM 154 2HE LYS 9 -11.308 -8.973 17.834 1.00 0.11 H ATOM 155 NZ LYS 9 -9.319 -8.650 17.150 1.00 -0.38 N ATOM 156 1HZ LYS 9 -9.499 -9.062 16.244 1.00 0.17 H ATOM 157 2HZ LYS 9 -9.426 -7.646 17.082 1.00 0.17 H ATOM 158 3HZ LYS 9 -8.372 -8.864 17.429 1.00 0.17 H ATOM 159 N LEU 10 -11.250 -10.683 24.100 1.00 -0.42 N ATOM 160 H LEU 10 -11.674 -11.540 23.749 1.00 0.27 H ATOM 161 CA LEU 10 -11.737 -10.130 25.365 1.00 -0.05 C ATOM 162 HA LEU 10 -12.044 -9.096 25.210 1.00 0.09 H ATOM 163 C LEU 10 -10.635 -10.129 26.411 1.00 0.60 C ATOM 164 O LEU 10 -10.528 -9.197 27.195 1.00 -0.57 O ATOM 165 CB LEU 10 -12.927 -10.941 25.889 1.00 -0.11 C ATOM 166 1HB LEU 10 -12.631 -11.989 25.910 1.00 0.05 H ATOM 167 2HB LEU 10 -13.113 -10.633 26.918 1.00 0.05 H ATOM 168 CG LEU 10 -14.257 -10.832 25.126 1.00 0.35 C ATOM 169 HG LEU 10 -14.077 -11.024 24.072 1.00 -0.04 H ATOM 170 CD1 LEU 10 -15.231 -11.888 25.643 1.00 -0.41 C ATOM 171 1HD1 LEU 10 -15.439 -11.729 26.702 1.00 0.10 H ATOM 172 2HD1 LEU 10 -16.163 -11.832 25.081 1.00 0.10 H ATOM 173 3HD1 LEU 10 -14.804 -12.881 25.502 1.00 0.10 H ATOM 174 CD2 LEU 10 -14.885 -9.443 25.258 1.00 -0.41 C ATOM 175 1HD2 LEU 10 -15.054 -9.201 26.309 1.00 0.10 H ATOM 176 2HD2 LEU 10 -14.230 -8.693 24.817 1.00 0.10 H ATOM 177 3HD2 LEU 10 -15.838 -9.420 24.728 1.00 0.10 H ATOM 178 N GLY 11 -9.758 -11.119 26.373 1.00 -0.42 N ATOM 179 H GLY 11 -9.894 -11.888 25.720 1.00 0.27 H ATOM 180 CA GLY 11 -8.618 -11.153 27.274 1.00 -0.03 C ATOM 181 1HA GLY 11 -8.984 -11.156 28.299 1.00 0.07 H ATOM 182 2HA GLY 11 -8.063 -12.075 27.105 1.00 0.07 H ATOM 183 C GLY 11 -7.673 -9.976 27.116 1.00 0.60 C ATOM 184 O GLY 11 -6.993 -9.587 28.063 1.00 -0.57 O ATOM 185 N LYS 12 -7.645 -9.346 25.947 1.00 -0.35 N ATOM 186 H LYS 12 -8.239 -9.664 25.188 1.00 0.28 H ATOM 187 CA LYS 12 -6.782 -8.176 25.753 1.00 -0.24 C ATOM 188 HA LYS 12 -5.807 -8.394 26.190 1.00 0.14 H ATOM 189 C LYS 12 -7.341 -6.961 26.478 1.00 0.73 C ATOM 190 O LYS 12 -6.591 -6.044 26.799 1.00 -0.59 O ATOM 191 CB LYS 12 -6.594 -7.830 24.268 1.00 -0.01 C ATOM 192 1HB LYS 12 -7.530 -7.423 23.886 1.00 0.04 H ATOM 193 2HB LYS 12 -5.836 -7.049 24.200 1.00 0.04 H ATOM 194 CG LYS 12 -6.183 -8.991 23.360 1.00 0.02 C ATOM 195 1HG LYS 12 -7.002 -9.699 23.329 1.00 0.01 H ATOM 196 2HG LYS 12 -6.036 -8.608 22.350 1.00 0.01 H ATOM 197 CD LYS 12 -4.918 -9.732 23.802 1.00 -0.05 C ATOM 198 1HD LYS 12 -4.074 -9.041 23.812 1.00 0.06 H ATOM 199 2HD LYS 12 -5.066 -10.134 24.805 1.00 0.06 H ATOM 200 CE LYS 12 -4.629 -10.896 22.862 1.00 -0.01 C ATOM 201 1HE LYS 12 -5.517 -11.531 22.810 1.00 0.11 H ATOM 202 2HE LYS 12 -4.419 -10.505 21.864 1.00 0.11 H ATOM 203 NZ LYS 12 -3.465 -11.716 23.342 1.00 -0.38 N ATOM 204 1HZ LYS 12 -2.637 -11.139 23.405 1.00 0.17 H ATOM 205 2HZ LYS 12 -3.672 -12.099 24.255 1.00 0.17 H ATOM 206 3HZ LYS 12 -3.291 -12.477 22.699 1.00 0.17 H ATOM 207 N VAL 13 -8.643 -6.956 26.719 1.00 -0.42 N ATOM 208 H VAL 13 -9.211 -7.733 26.402 1.00 0.27 H ATOM 209 CA VAL 13 -9.313 -5.879 27.451 1.00 -0.09 C ATOM 210 HA VAL 13 -8.801 -4.938 27.258 1.00 0.10 H ATOM 211 C VAL 13 -9.257 -6.189 28.947 1.00 0.60 C ATOM 212 O VAL 13 -8.929 -5.323 29.757 1.00 -0.57 O ATOM 213 CB VAL 13 -10.800 -5.747 27.001 1.00 0.30 C ATOM 214 HB VAL 13 -11.323 -6.671 27.240 1.00 -0.03 H ATOM 215 CG1 VAL 13 -11.506 -4.591 27.722 1.00 -0.32 C ATOM 216 1HG1 VAL 13 -11.526 -4.779 28.798 1.00 0.08 H ATOM 217 2HG1 VAL 13 -10.989 -3.649 27.535 1.00 0.08 H ATOM 218 3HG1 VAL 13 -12.536 -4.512 27.375 1.00 0.08 H ATOM 219 CG2 VAL 13 -10.883 -5.539 25.476 1.00 -0.32 C ATOM 220 1HG2 VAL 13 -11.923 -5.389 25.186 1.00 0.08 H ATOM 221 2HG2 VAL 13 -10.302 -4.665 25.181 1.00 0.08 H ATOM 222 3HG2 VAL 13 -10.510 -6.419 24.952 1.00 0.08 H ATOM 223 N LEU 14 -9.508 -7.452 29.277 1.00 -0.42 N ATOM 224 H LEU 14 -9.743 -8.107 28.538 1.00 0.27 H ATOM 225 CA LEU 14 -9.558 -7.963 30.652 1.00 -0.05 C ATOM 226 HA LEU 14 -10.327 -7.415 31.191 1.00 0.09 H ATOM 227 C LEU 14 -8.248 -7.810 31.422 1.00 0.60 C ATOM 228 O LEU 14 -8.202 -7.764 32.642 1.00 -0.57 O ATOM 229 CB LEU 14 -9.963 -9.440 30.605 1.00 -0.11 C ATOM 230 1HB LEU 14 -10.824 -9.522 29.943 1.00 0.05 H ATOM 231 2HB LEU 14 -9.141 -9.989 30.151 1.00 0.05 H ATOM 232 CG LEU 14 -10.327 -10.150 31.920 1.00 0.35 C ATOM 233 HG LEU 14 -9.470 -10.114 32.589 1.00 -0.04 H ATOM 234 CD1 LEU 14 -11.524 -9.514 32.627 1.00 -0.41 C ATOM 235 1HD1 LEU 14 -12.390 -9.487 31.968 1.00 0.10 H ATOM 236 2HD1 LEU 14 -11.765 -10.073 33.529 1.00 0.10 H ATOM 237 3HD1 LEU 14 -11.274 -8.489 32.923 1.00 0.10 H ATOM 238 CD2 LEU 14 -10.633 -11.621 31.623 1.00 -0.41 C ATOM 239 1HD2 LEU 14 -11.492 -11.699 30.955 1.00 0.10 H ATOM 240 2HD2 LEU 14 -9.766 -12.090 31.160 1.00 0.10 H ATOM 241 3HD2 LEU 14 -10.854 -12.140 32.556 1.00 0.10 H ATOM 242 N ALA 15 -7.162 -7.639 30.685 1.00 -0.42 N ATOM 243 H ALA 15 -7.243 -7.716 29.685 1.00 0.27 H ATOM 244 CA ALA 15 -5.866 -7.315 31.271 1.00 0.03 C ATOM 245 HA ALA 15 -5.670 -8.026 32.075 1.00 0.08 H ATOM 246 C ALA 15 -5.793 -5.897 31.882 1.00 0.60 C ATOM 247 O ALA 15 -4.705 -5.457 32.271 1.00 -0.57 O ATOM 248 CB ALA 15 -4.791 -7.492 30.186 1.00 -0.18 C ATOM 249 1HB ALA 15 -4.963 -6.784 29.377 1.00 0.06 H ATOM 250 2HB ALA 15 -3.805 -7.318 30.621 1.00 0.06 H ATOM 251 3HB ALA 15 -4.832 -8.510 29.796 1.00 0.06 H ATOM 252 N HIS 16 -6.898 -5.158 31.911 1.00 -0.35 N ATOM 253 H HIS 16 -7.764 -5.560 31.567 1.00 0.28 H ATOM 254 CA HIS 16 -6.924 -3.784 32.433 1.00 -0.14 C ATOM 255 HA HIS 16 -6.041 -3.635 33.052 1.00 0.12 H ATOM 256 C HIS 16 -8.136 -3.406 33.277 1.00 0.73 C ATOM 257 O HIS 16 -7.991 -2.614 34.206 1.00 -0.59 O ATOM 258 CB HIS 16 -6.888 -2.782 31.274 1.00 -0.04 C ATOM 259 1HB HIS 16 -7.901 -2.668 30.888 1.00 0.08 H ATOM 260 2HB HIS 16 -6.560 -1.813 31.652 1.00 0.08 H ATOM 261 CG HIS 16 -6.017 -3.210 30.138 1.00 -0.00 C ATOM 262 ND1 HIS 16 -4.630 -3.263 30.200 1.00 -0.15 N ATOM 263 HD1 HIS 16 -4.080 -3.041 31.023 1.00 0.14 H ATOM 264 CD2 HIS 16 -6.329 -3.677 28.907 1.00 -0.11 C ATOM 265 HD2 HIS 16 -7.335 -3.809 28.525 1.00 0.23 H ATOM 266 CE1 HIS 16 -4.162 -3.736 29.053 1.00 -0.02 C ATOM 267 HE1 HIS 16 -3.116 -3.901 28.822 1.00 0.27 H ATOM 268 NE2 HIS 16 -5.175 -4.006 28.263 1.00 -0.17 N ATOM 269 HE2 HIS 16 -5.138 -4.446 27.345 1.00 0.14 H ATOM 270 N VAL 17 -9.312 -3.887 32.897 1.00 -0.42 N ATOM 271 H VAL 17 -9.381 -4.591 32.170 1.00 0.27 H ATOM 272 CA VAL 17 -10.599 -3.516 33.488 1.00 -0.09 C ATOM 273 HA VAL 17 -10.491 -3.283 34.546 1.00 0.10 H ATOM 274 C VAL 17 -11.411 -4.789 33.337 1.00 0.60 C ATOM 275 O VAL 17 -12.528 -4.919 33.870 1.00 -0.57 O ATOM 276 OXT VAL 17 -10.866 -5.645 32.606 1.00 -0.57 O ATOM 277 CB VAL 17 -11.316 -2.349 32.742 1.00 0.30 C ATOM 278 HB VAL 17 -12.328 -2.267 33.141 1.00 -0.03 H ATOM 279 CG1 VAL 17 -10.601 -1.014 32.990 1.00 -0.32 C ATOM 280 1HG1 VAL 17 -10.515 -0.847 34.065 1.00 0.08 H ATOM 281 2HG1 VAL 17 -9.602 -1.034 32.558 1.00 0.08 H ATOM 282 3HG1 VAL 17 -11.175 -0.201 32.549 1.00 0.08 H ATOM 283 CG2 VAL 17 -11.405 -2.609 31.222 1.00 -0.32 C ATOM 284 1HG2 VAL 17 -10.412 -2.672 30.783 1.00 0.08 H ATOM 285 2HG2 VAL 17 -11.930 -3.551 31.047 1.00 0.08 H ATOM 286 3HG2 VAL 17 -11.965 -1.806 30.746 1.00 0.08 H TER 287 VAL 17 END
SEQUENCE	IKITTMLAKLGKVLAHV
HELICITY	94.10	INSTAB. INDEX	-20.55	FLEXIBILITY	9.39
a HYD. MOM.	58.45	b HYD. MOM.	23.58	c HYD. MOM	4.69
a MEAN HYD. MOM.	3.44	b MEAN HYD. MOM.	1.39	c MEAN HYD. MOM.	0.28
CHARGE pH5	3.91	CHARGE pH7	3.09	CHARGE pH9	2.74
Δ CHARGE pH5-pH9	1.17	ISOELECTRIC POINT	10.30	BOMAN INDEX	-0.77
ΔG	6	CPP	-0,37	MLP	-7,14
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	Apidae	GENUS	Bombus	SPECIES	Megabombus pennsylvanicus
DATE	1984
TITLE PAPER	Bombolitins, a new class of mast cell degranulating peptides from the venom of the bumblebee Megabombus pennsylvanicus.