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ID	1217	NAME	Brevinin-1TOa   Blast NCBI-PROT
LENGTH	23	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\pdb_HM_final\GIGSILGVIAKGLPTLISWIKNR.pdb REMARK YASARA Written on: Wed May 14 13:05:12 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 365 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 21.10550 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 21.10550 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 30.41600 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 19.14650 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 30.41600 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 19.14650 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 21.10550 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 30.41600 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 19.14650 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 21.10550 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 30.41600 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 19.14650 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 COMPND MOL_ID: 1; COMPND 2 MOLECULE: MELITTIN; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: `NOTE:` This template has been downloaded from PDB_REDO (www.cmbi.ru.nl/pdb_redo), since re-refinement improved the structure quality Z-score by 0.778.; SEQRES 1 A 23 GLY ILE GLY SER ILE LEU GLY VAL ILE ALA LYS GLY LEU SEQRES 2 A 23 PRO THR LEU ILE SER TRP ILE LYS ASN ARG CRYST1 60.832 38.293 42.211 90.00 90.00 90.00 C 2 2 21 16 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.016439 0.000000 0.000000 0.00000 SCALE2 0.000000 0.026114 0.000000 0.00000 SCALE3 0.000000 0.000000 0.023691 0.00000 MTRIX1 1 -0.996310 -0.033870 -0.078870 71.25100 MTRIX2 1 0.048050 -0.981470 -0.185470 2.71100 MTRIX3 1 -0.071130 -0.188580 0.979480 2.05300 ATOM 1 N GLY A 1 5.438 26.359 43.855 1.00-19.26 N ATOM 2 1H GLY A 1 5.410 25.514 44.408 1.00-19.26 H ATOM 3 2H GLY A 1 4.877 26.237 43.022 1.00-19.26 H ATOM 4 3H GLY A 1 5.062 27.127 44.393 1.00-19.26 H ATOM 5 CA GLY A 1 6.844 26.664 43.468 1.00-19.26 C ATOM 6 1HA GLY A 1 7.434 26.828 44.369 1.00-19.26 H ATOM 7 2HA GLY A 1 7.255 25.822 42.913 1.00-19.26 H ATOM 8 C GLY A 1 6.898 27.899 42.609 1.00-19.26 C ATOM 9 O GLY A 1 5.832 28.358 42.242 1.00-19.26 O ATOM 10 N ILE A 2 8.061 28.442 42.267 1.00 -3.42 N ATOM 11 H ILE A 2 8.935 28.014 42.542 1.00 -3.42 H ATOM 12 CA ILE A 2 8.123 29.713 41.528 1.00 -3.42 C ATOM 13 HA ILE A 2 7.602 30.473 42.112 1.00 -3.42 H ATOM 14 C ILE A 2 7.404 29.618 40.179 1.00 -3.42 C ATOM 15 O ILE A 2 6.597 30.477 39.847 1.00 -3.42 O ATOM 16 CB ILE A 2 9.601 30.188 41.326 1.00 -3.42 C ATOM 17 HB ILE A 2 10.129 29.438 40.737 1.00 -3.42 H ATOM 18 CG1 ILE A 2 10.305 30.320 42.696 1.00 -3.42 C ATOM 19 1HG1 ILE A 2 9.834 31.133 43.250 1.00 -3.42 H ATOM 20 2HG1 ILE A 2 10.162 29.404 43.265 1.00 -3.42 H ATOM 21 CG2 ILE A 2 9.650 31.539 40.561 1.00 -3.42 C ATOM 22 1HG2 ILE A 2 10.683 31.847 40.394 1.00 -3.42 H ATOM 23 2HG2 ILE A 2 9.137 32.319 41.129 1.00 -3.42 H ATOM 24 3HG2 ILE A 2 9.175 31.447 39.583 1.00 -3.42 H ATOM 25 CD1 ILE A 2 11.819 30.583 42.644 1.00 -3.42 C ATOM 26 1HD1 ILE A 2 12.227 30.548 43.655 1.00 -3.42 H ATOM 27 2HD1 ILE A 2 12.021 31.569 42.225 1.00 -3.42 H ATOM 28 3HD1 ILE A 2 12.313 29.822 42.037 1.00 -3.42 H ATOM 29 N GLY A 3 7.615 28.539 39.436 1.00 -7.43 N ATOM 30 H GLY A 3 8.274 27.839 39.730 1.00 -7.43 H ATOM 31 CA GLY A 3 6.932 28.378 38.160 1.00 -7.43 C ATOM 32 1HA GLY A 3 7.222 29.203 37.507 1.00 -7.43 H ATOM 33 2HA GLY A 3 7.262 27.448 37.697 1.00 -7.43 H ATOM 34 C GLY A 3 5.414 28.364 38.227 1.00 -7.43 C ATOM 35 O GLY A 3 4.756 28.896 37.345 1.00 -7.43 O ATOM 36 N SER A 4 4.824 27.812 39.280 1.00 -3.92 N ATOM 37 H SER A 4 5.367 27.409 40.023 1.00 -3.92 H ATOM 38 CA SER A 4 3.364 27.803 39.376 1.00 -3.92 C ATOM 39 HA SER A 4 2.954 27.543 38.398 1.00 -3.92 H ATOM 40 C SER A 4 2.839 29.188 39.743 1.00 -3.92 C ATOM 41 O SER A 4 1.746 29.557 39.340 1.00 -3.92 O ATOM 42 CB SER A 4 2.879 26.758 40.386 1.00 -3.92 C ATOM 43 1HB SER A 4 1.788 26.740 40.387 1.00 -3.92 H ATOM 44 2HB SER A 4 3.245 25.778 40.079 1.00 -3.92 H ATOM 45 OG SER A 4 3.347 27.032 41.699 1.00 -3.92 O ATOM 46 HG SER A 4 2.783 27.724 42.067 1.00 -3.92 H ATOM 47 N ILE A 5 3.623 29.968 40.476 1.00 18.80 N ATOM 48 H ILE A 5 4.523 29.628 40.789 1.00 18.80 H ATOM 49 CA ILE A 5 3.232 31.337 40.826 1.00 18.80 C ATOM 50 HA ILE A 5 2.207 31.341 41.196 1.00 18.80 H ATOM 51 C ILE A 5 3.283 32.154 39.538 1.00 18.80 C ATOM 52 O ILE A 5 2.375 32.922 39.242 1.00 18.80 O ATOM 53 CB ILE A 5 4.169 31.954 41.912 1.00 18.80 C ATOM 54 HB ILE A 5 5.196 31.907 41.552 1.00 18.80 H ATOM 55 CG1 ILE A 5 4.064 31.138 43.218 1.00 18.80 C ATOM 56 1HG1 ILE A 5 3.096 31.342 43.675 1.00 18.80 H ATOM 57 2HG1 ILE A 5 4.097 30.079 42.982 1.00 18.80 H ATOM 58 CG2 ILE A 5 3.811 33.439 42.184 1.00 18.80 C ATOM 59 1HG2 ILE A 5 4.479 33.864 42.934 1.00 18.80 H ATOM 60 2HG2 ILE A 5 2.780 33.524 42.533 1.00 18.80 H ATOM 61 3HG2 ILE A 5 3.921 34.026 41.272 1.00 18.80 H ATOM 62 CD1 ILE A 5 5.166 31.413 44.254 1.00 18.80 C ATOM 63 1HD1 ILE A 5 5.044 30.735 45.099 1.00 18.80 H ATOM 64 2HD1 ILE A 5 5.094 32.438 44.619 1.00 18.80 H ATOM 65 3HD1 ILE A 5 6.147 31.256 43.806 1.00 18.80 H ATOM 66 N LEU A 6 4.311 31.937 38.730 1.00 -5.88 N ATOM 67 H LEU A 6 5.049 31.299 39.010 1.00 -5.88 H ATOM 68 CA LEU A 6 4.410 32.608 37.437 1.00 -5.88 C ATOM 69 HA LEU A 6 4.343 33.682 37.600 1.00 -5.88 H ATOM 70 C LEU A 6 3.250 32.201 36.529 1.00 -5.88 C ATOM 71 O LEU A 6 2.722 33.022 35.793 1.00 -5.88 O ATOM 72 CB LEU A 6 5.754 32.282 36.779 1.00 -5.88 C ATOM 73 1HB LEU A 6 6.543 32.517 37.493 1.00 -5.88 H ATOM 74 2HB LEU A 6 5.784 31.211 36.589 1.00 -5.88 H ATOM 75 CG LEU A 6 6.079 32.999 35.457 1.00 -5.88 C ATOM 76 HG LEU A 6 5.310 32.751 34.728 1.00 -5.88 H ATOM 77 CD1 LEU A 6 6.131 34.523 35.604 1.00 -5.88 C ATOM 78 1HD1 LEU A 6 6.426 34.973 34.655 1.00 -5.88 H ATOM 79 2HD1 LEU A 6 6.847 34.807 36.375 1.00 -5.88 H ATOM 80 3HD1 LEU A 6 5.144 34.905 35.865 1.00 -5.88 H ATOM 81 CD2 LEU A 6 7.417 32.491 34.927 1.00 -5.88 C ATOM 82 1HD2 LEU A 6 7.631 32.959 33.965 1.00 -5.88 H ATOM 83 2HD2 LEU A 6 7.372 31.411 34.782 1.00 -5.88 H ATOM 84 3HD2 LEU A 6 8.219 32.730 35.627 1.00 -5.88 H ATOM 85 N GLY A 7 2.791 30.962 36.632 1.00 -1.22 N ATOM 86 H GLY A 7 3.284 30.292 37.211 1.00 -1.22 H ATOM 87 CA GLY A 7 1.595 30.544 35.917 1.00 -1.22 C ATOM 88 1HA GLY A 7 1.750 30.709 34.851 1.00 -1.22 H ATOM 89 2HA GLY A 7 1.432 29.481 36.089 1.00 -1.22 H ATOM 90 C GLY A 7 0.347 31.303 36.336 1.00 -1.22 C ATOM 91 O GLY A 7 -0.476 31.653 35.488 1.00 -1.22 O ATOM 92 N VAL A 8 0.203 31.617 37.616 1.00 -2.98 N ATOM 93 H VAL A 8 0.891 31.306 38.295 1.00 -2.98 H ATOM 94 CA VAL A 8 -0.922 32.436 38.074 1.00 -2.98 C ATOM 95 HA VAL A 8 -1.844 32.011 37.680 1.00 -2.98 H ATOM 96 C VAL A 8 -0.762 33.843 37.507 1.00 -2.98 C ATOM 97 O VAL A 8 -1.726 34.406 37.006 1.00 -2.98 O ATOM 98 CB VAL A 8 -1.032 32.493 39.631 1.00 -2.98 C ATOM 99 HB VAL A 8 -0.099 32.874 40.038 1.00 -2.98 H ATOM 100 CG1 VAL A 8 -2.174 33.420 40.091 1.00 -2.98 C ATOM 101 1HG1 VAL A 8 -2.246 33.405 41.179 1.00 -2.98 H ATOM 102 2HG1 VAL A 8 -3.124 33.094 39.665 1.00 -2.98 H ATOM 103 3HG1 VAL A 8 -1.973 34.446 39.779 1.00 -2.98 H ATOM 104 CG2 VAL A 8 -1.281 31.091 40.206 1.00 -2.98 C ATOM 105 1HG2 VAL A 8 -1.336 31.144 41.293 1.00 -2.98 H ATOM 106 2HG2 VAL A 8 -0.468 30.423 39.938 1.00 -2.98 H ATOM 107 3HG2 VAL A 8 -2.216 30.683 39.820 1.00 -2.98 H ATOM 108 N ILE A 9 0.435 34.407 37.520 1.00 10.87 N ATOM 109 H ILE A 9 1.224 33.904 37.921 1.00 10.87 H ATOM 110 CA ILE A 9 0.642 35.762 36.992 1.00 10.87 C ATOM 111 HA ILE A 9 -0.059 36.438 37.481 1.00 10.87 H ATOM 112 C ILE A 9 0.343 35.800 35.488 1.00 10.87 C ATOM 113 O ILE A 9 -0.302 36.720 34.997 1.00 10.87 O ATOM 114 CB ILE A 9 2.097 36.259 37.279 1.00 10.87 C ATOM 115 HB ILE A 9 2.795 35.545 36.844 1.00 10.87 H ATOM 116 CG1 ILE A 9 2.342 36.329 38.802 1.00 10.87 C ATOM 117 1HG1 ILE A 9 1.781 37.172 39.204 1.00 10.87 H ATOM 118 2HG1 ILE A 9 1.956 35.429 39.272 1.00 10.87 H ATOM 119 CG2 ILE A 9 2.360 37.654 36.647 1.00 10.87 C ATOM 120 1HG2 ILE A 9 3.381 37.976 36.847 1.00 10.87 H ATOM 121 2HG2 ILE A 9 1.664 38.391 37.051 1.00 10.87 H ATOM 122 3HG2 ILE A 9 2.233 37.606 35.565 1.00 10.87 H ATOM 123 CD1 ILE A 9 3.812 36.469 39.229 1.00 10.87 C ATOM 124 1HD1 ILE A 9 3.874 36.434 40.317 1.00 10.87 H ATOM 125 2HD1 ILE A 9 4.219 37.420 38.886 1.00 10.87 H ATOM 126 3HD1 ILE A 9 4.399 35.649 38.814 1.00 10.87 H ATOM 127 N ALA A 10 0.787 34.791 34.754 1.00 1.32 N ATOM 128 H ALA A 10 1.328 34.055 35.200 1.00 1.32 H ATOM 129 CA ALA A 10 0.601 34.743 33.307 1.00 1.32 C ATOM 130 HA ALA A 10 0.843 35.728 32.904 1.00 1.32 H ATOM 131 C ALA A 10 -0.818 34.400 32.840 1.00 1.32 C ATOM 132 O ALA A 10 -1.210 34.786 31.742 1.00 1.32 O ATOM 133 CB ALA A 10 1.596 33.733 32.718 1.00 1.32 C ATOM 134 1HB ALA A 10 2.613 34.019 32.995 1.00 1.32 H ATOM 135 2HB ALA A 10 1.511 33.731 31.631 1.00 1.32 H ATOM 136 3HB ALA A 10 1.387 32.735 33.104 1.00 1.32 H ATOM 137 N LYS A 11 -1.563 33.615 33.613 1.00 -0.95 N ATOM 138 H LYS A 11 -1.178 33.297 34.497 1.00 -0.95 H ATOM 139 CA LYS A 11 -2.883 33.129 33.171 1.00 -0.95 C ATOM 140 HA LYS A 11 -3.151 33.651 32.252 1.00 -0.95 H ATOM 141 C LYS A 11 -4.043 33.354 34.129 1.00 -0.95 C ATOM 142 O LYS A 11 -5.155 33.639 33.692 1.00 -0.95 O ATOM 143 CB LYS A 11 -2.803 31.632 32.850 1.00 -0.95 C ATOM 144 1HB LYS A 11 -2.533 31.092 33.757 1.00 -0.95 H ATOM 145 2HB LYS A 11 -3.790 31.298 32.530 1.00 -0.95 H ATOM 146 CG LYS A 11 -1.797 31.290 31.756 1.00 -0.95 C ATOM 147 1HG LYS A 11 -2.043 31.858 30.858 1.00 -0.95 H ATOM 148 2HG LYS A 11 -0.795 31.564 32.085 1.00 -0.95 H ATOM 149 CD LYS A 11 -1.808 29.809 31.425 1.00 -0.95 C ATOM 150 1HD LYS A 11 -1.595 29.239 32.330 1.00 -0.95 H ATOM 151 2HD LYS A 11 -2.794 29.535 31.048 1.00 -0.95 H ATOM 152 CE LYS A 11 -0.753 29.504 30.367 1.00 -0.95 C ATOM 153 1HE LYS A 11 -0.955 30.113 29.482 1.00 -0.95 H ATOM 154 2HE LYS A 11 0.229 29.781 30.758 1.00 -0.95 H ATOM 155 NZ LYS A 11 -0.746 28.051 29.982 1.00 -0.95 N ATOM 156 1HZ LYS A 11 -0.035 27.884 29.282 1.00 -0.95 H ATOM 157 2HZ LYS A 11 -1.648 27.792 29.605 1.00 -0.95 H ATOM 158 3HZ LYS A 11 -0.550 27.482 30.795 1.00 -0.95 H ATOM 159 N GLY A 12 -3.806 33.248 35.425 1.00 6.68 N ATOM 160 H GLY A 12 -2.873 33.055 35.762 1.00 6.68 H ATOM 161 CA GLY A 12 -4.881 33.447 36.385 1.00 6.68 C ATOM 162 1HA GLY A 12 -5.778 32.933 36.038 1.00 6.68 H ATOM 163 2HA GLY A 12 -4.589 33.041 37.352 1.00 6.68 H ATOM 164 C GLY A 12 -5.195 34.920 36.545 1.00 6.68 C ATOM 165 O GLY A 12 -6.349 35.322 36.571 1.00 6.68 O ATOM 166 N LEU A 13 -4.168 35.750 36.615 1.00 21.07 N ATOM 167 H LEU A 13 -3.219 35.379 36.597 1.00 21.07 H ATOM 168 CA LEU A 13 -4.361 37.190 36.744 1.00 21.07 C ATOM 169 HA LEU A 13 -5.018 37.351 37.597 1.00 21.07 H ATOM 170 C LEU A 13 -5.050 37.838 35.534 1.00 21.07 C ATOM 171 O LEU A 13 -6.020 38.566 35.738 1.00 21.07 O ATOM 172 CB LEU A 13 -3.018 37.865 37.053 1.00 21.07 C ATOM 173 1HB LEU A 13 -2.590 37.373 37.925 1.00 21.07 H ATOM 174 2HB LEU A 13 -2.350 37.683 36.216 1.00 21.07 H ATOM 175 CG LEU A 13 -3.020 39.379 37.310 1.00 21.07 C ATOM 176 HG LEU A 13 -3.412 39.877 36.426 1.00 21.07 H ATOM 177 CD1 LEU A 13 -3.878 39.784 38.511 1.00 21.07 C ATOM 178 1HD1 LEU A 13 -3.792 40.858 38.678 1.00 21.07 H ATOM 179 2HD1 LEU A 13 -3.551 39.253 39.405 1.00 21.07 H ATOM 180 3HD1 LEU A 13 -4.925 39.554 38.312 1.00 21.07 H ATOM 181 CD2 LEU A 13 -1.582 39.847 37.518 1.00 21.07 C ATOM 182 1HD2 LEU A 13 -1.562 40.930 37.641 1.00 21.07 H ATOM 183 2HD2 LEU A 13 -0.980 39.585 36.646 1.00 21.07 H ATOM 184 3HD2 LEU A 13 -1.154 39.376 38.404 1.00 21.07 H ATOM 185 N PRO A 14 -4.616 37.586 34.278 1.00 1.36 N ATOM 186 CA PRO A 14 -5.422 38.247 33.241 1.00 1.36 C ATOM 187 HA PRO A 14 -5.406 39.326 33.395 1.00 1.36 H ATOM 188 C PRO A 14 -6.869 37.769 33.144 1.00 1.36 C ATOM 189 O PRO A 14 -7.764 38.557 32.831 1.00 1.36 O ATOM 190 CB PRO A 14 -4.677 37.900 31.947 1.00 1.36 C ATOM 191 1HB PRO A 14 -5.117 37.017 31.483 1.00 1.36 H ATOM 192 2HB PRO A 14 -4.693 38.741 31.254 1.00 1.36 H ATOM 193 CG PRO A 14 -3.293 37.608 32.385 1.00 1.36 C ATOM 194 1HG PRO A 14 -2.766 37.007 31.644 1.00 1.36 H ATOM 195 2HG PRO A 14 -2.756 38.536 32.587 1.00 1.36 H ATOM 196 CD PRO A 14 -3.509 36.843 33.648 1.00 1.36 C ATOM 197 1HD PRO A 14 -3.813 35.824 33.428 1.00 1.36 H ATOM 198 2HD PRO A 14 -2.614 36.858 34.262 1.00 1.36 H ATOM 199 N THR A 15 -7.135 36.502 33.439 1.00-12.04 N ATOM 200 H THR A 15 -6.400 35.855 33.693 1.00-12.04 H ATOM 201 CA THR A 15 -8.518 36.037 33.412 1.00-12.04 C ATOM 202 HA THR A 15 -8.984 36.415 32.503 1.00-12.04 H ATOM 203 C THR A 15 -9.287 36.630 34.586 1.00-12.04 C ATOM 204 O THR A 15 -10.434 37.019 34.414 1.00-12.04 O ATOM 205 CB THR A 15 -8.651 34.501 33.394 1.00-12.04 C ATOM 206 HB THR A 15 -9.702 34.234 33.508 1.00-12.04 H ATOM 207 OG1 THR A 15 -7.889 33.927 34.455 1.00-12.04 O ATOM 208 HG1 THR A 15 -6.991 33.765 34.133 1.00-12.04 H ATOM 209 CG2 THR A 15 -8.131 33.915 32.092 1.00-12.04 C ATOM 210 1HG2 THR A 15 -8.227 32.830 32.125 1.00-12.04 H ATOM 211 2HG2 THR A 15 -7.083 34.175 31.946 1.00-12.04 H ATOM 212 3HG2 THR A 15 -8.718 34.297 31.256 1.00-12.04 H ATOM 213 N LEU A 16 -8.668 36.817 35.743 1.00 -4.20 N ATOM 214 H LEU A 16 -7.729 36.447 35.883 1.00 -4.20 H ATOM 215 CA LEU A 16 -9.318 37.531 36.843 1.00 -4.20 C ATOM 216 HA LEU A 16 -10.251 37.024 37.084 1.00 -4.20 H ATOM 217 C LEU A 16 -9.652 38.966 36.445 1.00 -4.20 C ATOM 218 O LEU A 16 -10.760 39.431 36.683 1.00 -4.20 O ATOM 219 CB LEU A 16 -8.414 37.536 38.081 1.00 -4.20 C ATOM 220 1HB LEU A 16 -8.181 36.502 38.333 1.00 -4.20 H ATOM 221 2HB LEU A 16 -7.482 38.029 37.812 1.00 -4.20 H ATOM 222 CG LEU A 16 -8.948 38.233 39.343 1.00 -4.20 C ATOM 223 HG LEU A 16 -9.153 39.273 39.102 1.00 -4.20 H ATOM 224 CD1 LEU A 16 -10.236 37.602 39.878 1.00 -4.20 C ATOM 225 1HD1 LEU A 16 -10.531 38.101 40.801 1.00 -4.20 H ATOM 226 2HD1 LEU A 16 -10.082 36.540 40.074 1.00 -4.20 H ATOM 227 3HD1 LEU A 16 -11.038 37.729 39.150 1.00 -4.20 H ATOM 228 CD2 LEU A 16 -7.872 38.205 40.423 1.00 -4.20 C ATOM 229 1HD2 LEU A 16 -8.226 38.738 41.306 1.00 -4.20 H ATOM 230 2HD2 LEU A 16 -6.971 38.700 40.060 1.00 -4.20 H ATOM 231 3HD2 LEU A 16 -7.634 37.176 40.696 1.00 -4.20 H ATOM 232 N ILE A 17 -8.730 39.651 35.783 1.00 -0.68 N ATOM 233 H ILE A 17 -7.822 39.221 35.610 1.00 -0.68 H ATOM 234 CA ILE A 17 -8.970 41.016 35.307 1.00 -0.68 C ATOM 235 HA ILE A 17 -9.263 41.637 36.151 1.00 -0.68 H ATOM 236 C ILE A 17 -10.139 41.020 34.317 1.00 -0.68 C ATOM 237 O ILE A 17 -10.958 41.942 34.331 1.00 -0.68 O ATOM 238 CB ILE A 17 -7.672 41.624 34.681 1.00 -0.68 C ATOM 239 HB ILE A 17 -7.285 40.925 33.941 1.00 -0.68 H ATOM 240 CG1 ILE A 17 -6.614 41.825 35.788 1.00 -0.68 C ATOM 241 1HG1 ILE A 17 -6.924 42.662 36.414 1.00 -0.68 H ATOM 242 2HG1 ILE A 17 -6.586 40.942 36.422 1.00 -0.68 H ATOM 243 CG2 ILE A 17 -7.947 42.982 33.977 1.00 -0.68 C ATOM 244 1HG2 ILE A 17 -7.022 43.383 33.563 1.00 -0.68 H ATOM 245 2HG2 ILE A 17 -8.363 43.693 34.694 1.00 -0.68 H ATOM 246 3HG2 ILE A 17 -8.649 42.833 33.159 1.00 -0.68 H ATOM 247 CD1 ILE A 17 -5.181 42.085 35.297 1.00 -0.68 C ATOM 248 1HD1 ILE A 17 -4.514 42.145 36.157 1.00 -0.68 H ATOM 249 2HD1 ILE A 17 -5.127 43.025 34.748 1.00 -0.68 H ATOM 250 3HD1 ILE A 17 -4.854 41.266 34.655 1.00 -0.68 H ATOM 251 N SER A 18 -10.275 39.994 33.488 1.00-24.78 N ATOM 252 H SER A 18 -9.567 39.263 33.458 1.00-24.78 H ATOM 253 CA SER A 18 -11.442 39.920 32.609 1.00-24.78 C ATOM 254 HA SER A 18 -11.570 40.902 32.157 1.00-24.78 H ATOM 255 C SER A 18 -12.730 39.613 33.378 1.00-24.78 C ATOM 256 O SER A 18 -13.773 40.167 33.056 1.00-24.78 O ATOM 257 CB SER A 18 -11.237 38.918 31.468 1.00-24.78 C ATOM 258 1HB SER A 18 -12.041 39.048 30.743 1.00-24.78 H ATOM 259 2HB SER A 18 -10.289 39.136 30.975 1.00-24.78 H ATOM 260 OG SER A 18 -11.237 37.565 31.890 1.00-24.78 O ATOM 261 HG SER A 18 -10.933 37.502 32.809 1.00-24.78 H ATOM 262 N TRP A 19 -12.679 38.795 34.421 1.00 -0.62 N ATOM 263 H TRP A 19 -11.801 38.347 34.670 1.00 -0.62 H ATOM 264 CA TRP A 19 -13.873 38.485 35.210 1.00 -0.62 C ATOM 265 HA TRP A 19 -14.679 38.220 34.528 1.00 -0.62 H ATOM 266 C TRP A 19 -14.374 39.649 36.045 1.00 -0.62 C ATOM 267 O TRP A 19 -15.569 39.764 36.257 1.00 -0.62 O ATOM 268 CB TRP A 19 -13.633 37.311 36.156 1.00 -0.62 C ATOM 269 1HB TRP A 19 -12.714 37.470 36.719 1.00 -0.62 H ATOM 270 2HB TRP A 19 -14.461 37.286 36.859 1.00 -0.62 H ATOM 271 CG TRP A 19 -13.588 35.985 35.462 1.00 -0.62 C ATOM 272 CD1 TRP A 19 -12.549 35.111 35.423 1.00 -0.62 C ATOM 273 HD1 TRP A 19 -11.585 35.295 35.884 1.00 -0.62 H ATOM 274 CD2 TRP A 19 -14.643 35.358 34.708 1.00 -0.62 C ATOM 275 NE1 TRP A 19 -12.868 33.981 34.721 1.00 -0.62 N ATOM 276 HE1 TRP A 19 -12.231 33.214 34.555 1.00 -0.62 H ATOM 277 CE2 TRP A 19 -14.157 34.089 34.279 1.00 -0.62 C ATOM 278 CE3 TRP A 19 -15.960 35.731 34.361 1.00 -0.62 C ATOM 279 HE3 TRP A 19 -16.354 36.697 34.643 1.00 -0.62 H ATOM 280 CZ2 TRP A 19 -14.953 33.186 33.545 1.00 -0.62 C ATOM 281 HZ2 TRP A 19 -14.560 32.231 33.229 1.00 -0.62 H ATOM 282 CZ3 TRP A 19 -16.763 34.829 33.624 1.00 -0.62 C ATOM 283 HZ3 TRP A 19 -17.772 35.111 33.352 1.00 -0.62 H ATOM 284 CH2 TRP A 19 -16.247 33.561 33.226 1.00 -0.62 C ATOM 285 HH2 TRP A 19 -16.873 32.888 32.655 1.00 -0.62 H ATOM 286 N ILE A 20 -13.489 40.545 36.455 1.00 5.00 N ATOM 287 H ILE A 20 -12.501 40.373 36.286 1.00 5.00 H ATOM 288 CA ILE A 20 -13.874 41.774 37.164 1.00 5.00 C ATOM 289 HA ILE A 20 -14.475 41.516 38.036 1.00 5.00 H ATOM 290 C ILE A 20 -14.758 42.639 36.247 1.00 5.00 C ATOM 291 O ILE A 20 -15.516 43.491 36.697 1.00 5.00 O ATOM 292 CB ILE A 20 -12.576 42.515 37.656 1.00 5.00 C ATOM 293 HB ILE A 20 -11.880 42.575 36.820 1.00 5.00 H ATOM 294 CG1 ILE A 20 -11.928 41.700 38.796 1.00 5.00 C ATOM 295 1HG1 ILE A 20 -12.538 41.819 39.692 1.00 5.00 H ATOM 296 2HG1 ILE A 20 -11.945 40.645 38.536 1.00 5.00 H ATOM 297 CG2 ILE A 20 -12.850 43.956 38.167 1.00 5.00 C ATOM 298 1HG2 ILE A 20 -11.933 44.422 38.523 1.00 5.00 H ATOM 299 2HG2 ILE A 20 -13.583 43.933 38.978 1.00 5.00 H ATOM 300 3HG2 ILE A 20 -13.249 44.568 37.358 1.00 5.00 H ATOM 301 CD1 ILE A 20 -10.475 42.067 39.144 1.00 5.00 C ATOM 302 1HD1 ILE A 20 -10.110 41.386 39.913 1.00 5.00 H ATOM 303 2HD1 ILE A 20 -10.420 43.086 39.525 1.00 5.00 H ATOM 304 3HD1 ILE A 20 -9.846 41.970 38.260 1.00 5.00 H ATOM 305 N LYS A 21 -14.695 42.387 34.947 1.00-20.84 N ATOM 306 H LYS A 21 -14.098 41.638 34.621 1.00-20.84 H ATOM 307 CA LYS A 21 -15.444 43.149 33.948 1.00-20.84 C ATOM 308 HA LYS A 21 -15.889 44.031 34.413 1.00-20.84 H ATOM 309 C LYS A 21 -16.572 42.333 33.318 1.00-20.84 C ATOM 310 O LYS A 21 -17.162 42.773 32.340 1.00-20.84 O ATOM 311 CB LYS A 21 -14.457 43.599 32.866 1.00-20.84 C ATOM 312 1HB LYS A 21 -14.058 42.709 32.382 1.00-20.84 H ATOM 313 2HB LYS A 21 -14.982 44.194 32.119 1.00-20.84 H ATOM 314 CG LYS A 21 -13.289 44.411 33.420 1.00-20.84 C ATOM 315 1HG LYS A 21 -13.661 45.348 33.836 1.00-20.84 H ATOM 316 2HG LYS A 21 -12.796 43.852 34.212 1.00-20.84 H ATOM 317 CD LYS A 21 -12.254 44.699 32.356 1.00-20.84 C ATOM 318 1HD LYS A 21 -11.945 43.758 31.899 1.00-20.84 H ATOM 319 2HD LYS A 21 -12.682 45.353 31.595 1.00-20.84 H ATOM 320 CE LYS A 21 -11.045 45.360 33.003 1.00-20.84 C ATOM 321 1HE LYS A 21 -11.362 46.292 33.478 1.00-20.84 H ATOM 322 2HE LYS A 21 -10.656 44.692 33.776 1.00-20.84 H ATOM 323 NZ LYS A 21 -9.965 45.643 32.002 1.00-20.84 N ATOM 324 1HZ LYS A 21 -9.176 46.077 32.463 1.00-20.84 H ATOM 325 2HZ LYS A 21 -10.316 46.265 31.286 1.00-20.84 H ATOM 326 3HZ LYS A 21 -9.664 44.778 31.574 1.00-20.84 H ATOM 327 N ASN A 22 -16.816 41.131 33.828 1.00-19.96 N ATOM 328 H ASN A 22 -16.324 40.838 34.664 1.00-19.96 H ATOM 329 CA ASN A 22 -17.776 40.190 33.230 1.00-19.96 C ATOM 330 HA ASN A 22 -18.546 40.753 32.700 1.00-19.96 H ATOM 331 C ASN A 22 -18.473 39.349 34.307 1.00-19.96 C ATOM 332 O ASN A 22 -18.671 38.140 34.140 1.00-19.96 O ATOM 333 CB ASN A 22 -17.066 39.263 32.225 1.00-19.96 C ATOM 334 1HB ASN A 22 -16.149 38.885 32.669 1.00-19.96 H ATOM 335 2HB ASN A 22 -17.710 38.421 31.983 1.00-19.96 H ATOM 336 CG ASN A 22 -16.756 39.944 30.917 1.00-19.96 C ATOM 337 OD1 ASN A 22 -17.612 40.096 30.062 1.00-19.96 O ATOM 338 ND2 ASN A 22 -15.523 40.318 30.727 1.00-19.96 N ATOM 339 1HD2 ASN A 22 -15.288 40.739 29.850 1.00-19.96 H ATOM 340 2HD2 ASN A 22 -14.847 40.199 31.471 1.00-19.96 H ATOM 341 N ARG A 23 -18.817 39.975 35.425 1.00 10.69 N ATOM 342 H ARG A 23 -18.668 40.978 35.530 1.00 10.69 H ATOM 343 CA ARG A 23 -19.546 39.356 36.534 1.00 10.69 C ATOM 344 HA ARG A 23 -20.266 38.624 36.176 1.00 10.69 H ATOM 345 C ARG A 23 -20.281 40.544 37.114 1.00 10.69 C ATOM 346 O ARG A 23 -21.160 40.382 37.978 1.00 10.69 O ATOM 347 OXT ARG A 23 -19.912 41.648 36.658 1.00 10.69 O ATOM 348 CB ARG A 23 -18.627 38.749 37.602 1.00 10.69 C ATOM 349 1HB ARG A 23 -17.883 39.490 37.894 1.00 10.69 H ATOM 350 2HB ARG A 23 -19.236 38.510 38.474 1.00 10.69 H ATOM 351 CG ARG A 23 -17.927 37.484 37.152 1.00 10.69 C ATOM 352 1HG ARG A 23 -18.675 36.790 36.772 1.00 10.69 H ATOM 353 2HG ARG A 23 -17.236 37.728 36.349 1.00 10.69 H ATOM 354 CD ARG A 23 -17.156 36.810 38.268 1.00 10.69 C ATOM 355 1HD ARG A 23 -16.425 37.515 38.666 1.00 10.69 H ATOM 356 2HD ARG A 23 -17.845 36.527 39.064 1.00 10.69 H ATOM 357 NE ARG A 23 -16.459 35.618 37.760 1.00 10.69 N ATOM 358 HE ARG A 23 -15.498 35.752 37.493 1.00 10.69 H ATOM 359 CZ ARG A 23 -16.976 34.409 37.592 1.00 10.69 C ATOM 360 NH1 ARG A 23 -16.218 33.471 37.100 1.00 10.69 N ATOM 361 1HH1 ARG A 23 -15.272 33.677 36.823 1.00 10.69 H ATOM 362 2HH1 ARG A 23 -16.583 32.545 36.969 1.00 10.69 H ATOM 363 NH2 ARG A 23 -18.214 34.097 37.884 1.00 10.69 N ATOM 364 1HH2 ARG A 23 -18.826 34.809 38.250 1.00 10.69 H ATOM 365 2HH2 ARG A 23 -18.556 33.167 37.730 1.00 10.69 H TER 366 ARG A 23 END
SEQUENCE	GIGSILGVIAKGLPTLISWIKNR
HELICITY	43.50	INSTAB. INDEX	15.24	FLEXIBILITY	13.87
a HYD. MOM.	81.51	b HYD. MOM.	34.33	c HYD. MOM	5.42
a MEAN HYD. MOM.	3.54	b MEAN HYD. MOM.	1.49	c MEAN HYD. MOM.	0.24
CHARGE pH5	3.00	CHARGE pH7	3.00	CHARGE pH9	2.77
Δ CHARGE pH5-pH9	0.23	ISOELECTRIC POINT	11.17	BOMAN INDEX	-0.40
ΔG	3	CPP	-0,21	MLP	-3,95
MOLECULAR VOLUME		POLARITY
MIC E. coli	20	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	5	MIC M. luteus		MIC B. subtilis
MIC C. albicans	20	OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Rana	SPECIES	Rana tagoi okiensis
DATE	2009
TITLE PAPER	Evidence from the primary structures of dermal antimicrobial peptides that Rana tagoi okiensis and Rana tagoi tagoi (Ranidae) are not conspecific subspecies