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ID	2056	NAME	Nisin A   Blast NCBI-PROT
LENGTH	34	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\ITSISLCTPGCKTGALMGCNMKTATCHCSIHVSK.pdb REMARK YASARA Written on: Wed May 14 15:22:24 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 453 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: NISIN Z; COMPND 3 MOL_ID: 2; COMPND 4 MOLECULE: NAG-MUB-ALA-FGA-LYS-DAL-DAL PEPTIDE; SEQRES 1 A 32 ILE THR SER ILE SER LEU CYS THR PRO GLY CYS LYS THR SEQRES 2 A 32 GLY ALA LEU MET GLY CYS ASN MET LYS THR ALA THR CYS SEQRES 3 A 32 HIS CYS SER ILE HIS VAL CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 N ILE A 1 -39.417 -8.916 -33.681 1.00 30.20 N ATOM 2 1H ILE A 1 -40.067 -9.411 -34.273 1.00 30.20 H ATOM 3 2H ILE A 1 -38.824 -9.577 -33.197 1.00 30.20 H ATOM 4 3H ILE A 1 -38.833 -8.311 -34.242 1.00 30.20 H ATOM 5 CA ILE A 1 -40.161 -8.098 -32.677 1.00 30.20 C ATOM 6 HA ILE A 1 -40.766 -7.365 -33.208 1.00 30.20 H ATOM 7 C ILE A 1 -39.167 -7.325 -31.834 1.00 30.20 C ATOM 8 O ILE A 1 -37.988 -7.614 -31.932 1.00 30.20 O ATOM 9 CB ILE A 1 -41.129 -8.979 -31.806 1.00 30.20 C ATOM 10 HB ILE A 1 -41.461 -8.388 -30.954 1.00 30.20 H ATOM 11 CG1 ILE A 1 -40.492 -10.281 -31.266 1.00 30.20 C ATOM 12 1HG1 ILE A 1 -41.304 -10.902 -30.885 1.00 30.20 H ATOM 13 2HG1 ILE A 1 -40.032 -10.834 -32.084 1.00 30.20 H ATOM 14 CG2 ILE A 1 -42.385 -9.356 -32.627 1.00 30.20 C ATOM 15 1HG2 ILE A 1 -43.095 -9.890 -31.989 1.00 30.20 H ATOM 16 2HG2 ILE A 1 -42.132 -9.998 -33.473 1.00 30.20 H ATOM 17 3HG2 ILE A 1 -42.887 -8.455 -32.990 1.00 30.20 H ATOM 18 CD1 ILE A 1 -39.468 -10.144 -30.132 1.00 30.20 C ATOM 19 1HD1 ILE A 1 -39.224 -11.137 -29.750 1.00 30.20 H ATOM 20 2HD1 ILE A 1 -39.883 -9.555 -29.314 1.00 30.20 H ATOM 21 3HD1 ILE A 1 -38.550 -9.680 -30.490 1.00 30.20 H ATOM 22 N THR A 2 -39.609 -6.346 -31.057 1.00 45.37 N ATOM 23 H THR A 2 -40.597 -6.110 -31.022 1.00 45.37 H ATOM 24 CA THR A 2 -38.719 -5.508 -30.244 1.00 45.37 C ATOM 25 HA THR A 2 -37.669 -5.724 -30.447 1.00 45.37 H ATOM 26 C THR A 2 -38.994 -5.719 -28.761 1.00 45.37 C ATOM 27 O THR A 2 -38.562 -4.938 -27.922 1.00 45.37 O ATOM 28 CB THR A 2 -39.019 -4.027 -30.536 1.00 45.37 C ATOM 29 HB THR A 2 -38.456 -3.388 -29.856 1.00 45.37 H ATOM 30 OG1 THR A 2 -40.424 -3.830 -30.364 1.00 45.37 O ATOM 31 HG1 THR A 2 -40.587 -2.890 -30.216 1.00 45.37 H ATOM 32 CG2 THR A 2 -38.689 -3.653 -31.973 1.00 45.37 C ATOM 33 1HG2 THR A 2 -38.822 -2.578 -32.098 1.00 45.37 H ATOM 34 2HG2 THR A 2 -39.349 -4.173 -32.665 1.00 45.37 H ATOM 35 3HG2 THR A 2 -37.650 -3.904 -32.193 1.00 45.37 H ATOM 36 N SER A 3 -39.800 -6.738 -28.482 1.00 24.68 N ATOM 37 H SER A 3 -40.003 -7.380 -29.223 1.00 24.68 H ATOM 38 CA SER A 3 -40.442 -7.013 -27.186 1.00 24.68 C ATOM 39 HA SER A 3 -41.010 -7.929 -27.324 1.00 24.68 H ATOM 40 C SER A 3 -41.461 -5.966 -26.724 1.00 24.68 C ATOM 41 O SER A 3 -42.566 -6.333 -26.347 1.00 24.68 O ATOM 42 CB SER A 3 -39.409 -7.324 -26.103 1.00 24.68 C ATOM 43 1HB SER A 3 -38.858 -6.417 -25.850 1.00 24.68 H ATOM 44 2HB SER A 3 -39.917 -7.698 -25.213 1.00 24.68 H ATOM 45 OG SER A 3 -38.509 -8.304 -26.595 1.00 24.68 O ATOM 46 HG SER A 3 -37.846 -8.477 -25.920 1.00 24.68 H ATOM 47 N ILE A 4 -41.170 -4.685 -26.905 1.00-11.84 N ATOM 48 H ILE A 4 -40.222 -4.442 -27.186 1.00-11.84 H ATOM 49 CA ILE A 4 -42.141 -3.591 -26.775 1.00-11.84 C ATOM 50 HA ILE A 4 -42.846 -3.851 -25.985 1.00-11.84 H ATOM 51 C ILE A 4 -42.961 -3.471 -28.072 1.00-11.84 C ATOM 52 O ILE A 4 -42.907 -2.501 -28.822 1.00-11.84 O ATOM 53 CB ILE A 4 -41.445 -2.255 -26.359 1.00-11.84 C ATOM 54 HB ILE A 4 -42.172 -1.448 -26.457 1.00-11.84 H ATOM 55 CG1 ILE A 4 -40.219 -1.938 -27.246 1.00-11.84 C ATOM 56 1HG1 ILE A 4 -39.407 -2.614 -26.980 1.00-11.84 H ATOM 57 2HG1 ILE A 4 -40.479 -2.119 -28.286 1.00-11.84 H ATOM 58 CG2 ILE A 4 -41.016 -2.345 -24.873 1.00-11.84 C ATOM 59 1HG2 ILE A 4 -40.632 -1.382 -24.535 1.00-11.84 H ATOM 60 2HG2 ILE A 4 -40.243 -3.104 -24.742 1.00-11.84 H ATOM 61 3HG2 ILE A 4 -41.877 -2.603 -24.254 1.00-11.84 H ATOM 62 CD1 ILE A 4 -39.696 -0.501 -27.146 1.00-11.84 C ATOM 63 1HD1 ILE A 4 -38.878 -0.366 -27.854 1.00-11.84 H ATOM 64 2HD1 ILE A 4 -39.327 -0.301 -26.140 1.00-11.84 H ATOM 65 3HD1 ILE A 4 -40.496 0.201 -27.388 1.00-11.84 H ATOM 66 N SER A 5 -43.660 -4.553 -28.374 1.00 47.07 N ATOM 67 H SER A 5 -43.712 -5.306 -27.686 1.00 47.07 H ATOM 68 CA SER A 5 -44.380 -4.755 -29.627 1.00 47.07 C ATOM 69 HA SER A 5 -44.963 -3.879 -29.914 1.00 47.07 H ATOM 70 C SER A 5 -45.288 -5.931 -29.308 1.00 47.07 C ATOM 71 O SER A 5 -45.262 -6.414 -28.177 1.00 47.07 O ATOM 72 CB SER A 5 -43.388 -5.132 -30.730 1.00 47.07 C ATOM 73 1HB SER A 5 -43.918 -5.473 -31.620 1.00 47.07 H ATOM 74 2HB SER A 5 -42.802 -4.250 -30.985 1.00 47.07 H ATOM 75 OG SER A 5 -42.511 -6.141 -30.256 1.00 47.07 O ATOM 76 HG SER A 5 -42.260 -5.876 -29.361 1.00 47.07 H ATOM 77 N LEU A 6 -46.006 -6.458 -30.293 1.00 23.77 N ATOM 78 H LEU A 6 -46.012 -6.010 -31.195 1.00 23.77 H ATOM 79 CA LEU A 6 -46.747 -7.714 -30.141 1.00 23.77 C ATOM 80 HA LEU A 6 -47.284 -7.695 -29.192 1.00 23.77 H ATOM 81 C LEU A 6 -45.782 -8.909 -30.110 1.00 23.77 C ATOM 82 O LEU A 6 -45.663 -9.668 -31.072 1.00 23.77 O ATOM 83 CB LEU A 6 -47.755 -7.880 -31.287 1.00 23.77 C ATOM 84 1HB LEU A 6 -47.200 -7.867 -32.225 1.00 23.77 H ATOM 85 2HB LEU A 6 -48.210 -8.862 -31.191 1.00 23.77 H ATOM 86 CG LEU A 6 -48.897 -6.858 -31.404 1.00 23.77 C ATOM 87 HG LEU A 6 -48.467 -5.862 -31.496 1.00 23.77 H ATOM 88 CD1 LEU A 6 -49.701 -7.151 -32.668 1.00 23.77 C ATOM 89 1HD1 LEU A 6 -50.490 -6.405 -32.781 1.00 23.77 H ATOM 90 2HD1 LEU A 6 -50.154 -8.142 -32.613 1.00 23.77 H ATOM 91 3HD1 LEU A 6 -49.054 -7.099 -33.544 1.00 23.77 H ATOM 92 CD2 LEU A 6 -49.829 -6.876 -30.191 1.00 23.77 C ATOM 93 1HD2 LEU A 6 -50.641 -6.163 -30.343 1.00 23.77 H ATOM 94 2HD2 LEU A 6 -49.284 -6.580 -29.295 1.00 23.77 H ATOM 95 3HD2 LEU A 6 -50.253 -7.870 -30.048 1.00 23.77 H ATOM 96 N CYS A 7 -45.056 -9.043 -29.011 1.00 26.58 N ATOM 97 H CYS A 7 -45.208 -8.380 -28.252 1.00 26.58 H ATOM 98 CA CYS A 7 -43.987 -10.025 -28.880 1.00 26.58 C ATOM 99 HA CYS A 7 -43.265 -9.847 -29.674 1.00 26.58 H ATOM 100 C CYS A 7 -44.477 -11.461 -29.026 1.00 26.58 C ATOM 101 O CYS A 7 -44.020 -12.182 -29.909 1.00 26.58 O ATOM 102 CB CYS A 7 -43.293 -9.832 -27.529 1.00 26.58 C ATOM 103 1HB CYS A 7 -43.051 -8.775 -27.410 1.00 26.58 H ATOM 104 2HB CYS A 7 -43.977 -10.108 -26.725 1.00 26.58 H ATOM 105 SG CYS A 7 -41.771 -10.790 -27.348 1.00 26.58 S ATOM 106 HG CYS A 7 -42.325 -12.009 -27.346 1.00 26.58 H ATOM 107 N THR A 8 -45.425 -11.883 -28.205 1.00 43.62 N ATOM 108 H THR A 8 -45.816 -11.277 -27.495 1.00 43.62 H ATOM 109 CA THR A 8 -45.943 -13.246 -28.279 1.00 43.62 C ATOM 110 HA THR A 8 -45.096 -13.930 -28.234 1.00 43.62 H ATOM 111 C THR A 8 -46.696 -13.577 -29.574 1.00 43.62 C ATOM 112 O THR A 8 -46.396 -14.614 -30.177 1.00 43.62 O ATOM 113 CB THR A 8 -46.826 -13.513 -27.052 1.00 43.62 C ATOM 114 HB THR A 8 -47.703 -14.094 -27.337 1.00 43.62 H ATOM 115 OG1 THR A 8 -47.213 -12.248 -26.505 1.00 43.62 O ATOM 116 HG1 THR A 8 -47.724 -12.413 -25.705 1.00 43.62 H ATOM 117 CG2 THR A 8 -46.054 -14.237 -25.968 1.00 43.62 C ATOM 118 1HG2 THR A 8 -46.702 -14.402 -25.108 1.00 43.62 H ATOM 119 2HG2 THR A 8 -45.193 -13.642 -25.657 1.00 43.62 H ATOM 120 3HG2 THR A 8 -45.711 -15.204 -26.338 1.00 43.62 H ATOM 121 N PRO A 9 -47.619 -12.715 -30.064 1.00 14.32 N ATOM 122 CA PRO A 9 -48.114 -13.061 -31.406 1.00 14.32 C ATOM 123 HA PRO A 9 -48.636 -14.016 -31.365 1.00 14.32 H ATOM 124 C PRO A 9 -47.049 -13.120 -32.501 1.00 14.32 C ATOM 125 O PRO A 9 -47.132 -13.966 -33.387 1.00 14.32 O ATOM 126 CB PRO A 9 -49.109 -11.937 -31.715 1.00 14.32 C ATOM 127 1HB PRO A 9 -48.613 -11.133 -32.258 1.00 14.32 H ATOM 128 2HB PRO A 9 -49.956 -12.317 -32.286 1.00 14.32 H ATOM 129 CG PRO A 9 -49.547 -11.464 -30.390 1.00 14.32 C ATOM 130 1HG PRO A 9 -49.955 -10.455 -30.448 1.00 14.32 H ATOM 131 2HG PRO A 9 -50.281 -12.154 -29.972 1.00 14.32 H ATOM 132 CD PRO A 9 -48.290 -11.493 -29.577 1.00 14.32 C ATOM 133 1HD PRO A 9 -47.681 -10.617 -29.777 1.00 14.32 H ATOM 134 2HD PRO A 9 -48.530 -11.566 -28.517 1.00 14.32 H ATOM 135 N GLY A 10 -46.019 -12.286 -32.444 1.00 18.87 N ATOM 136 H GLY A 10 -45.959 -11.569 -31.725 1.00 18.87 H ATOM 137 CA GLY A 10 -44.961 -12.383 -33.436 1.00 18.87 C ATOM 138 1HA GLY A 10 -45.401 -12.336 -34.432 1.00 18.87 H ATOM 139 2HA GLY A 10 -44.271 -11.551 -33.314 1.00 18.87 H ATOM 140 C GLY A 10 -44.196 -13.686 -33.306 1.00 18.87 C ATOM 141 O GLY A 10 -43.925 -14.359 -34.295 1.00 18.87 O ATOM 142 N CYS A 11 -43.887 -14.096 -32.086 1.00 7.19 N ATOM 143 H CYS A 11 -44.149 -13.533 -31.281 1.00 7.19 H ATOM 144 CA CYS A 11 -43.144 -15.336 -31.875 1.00 7.19 C ATOM 145 HA CYS A 11 -42.284 -15.332 -32.546 1.00 7.19 H ATOM 146 C CYS A 11 -43.952 -16.596 -32.192 1.00 7.19 C ATOM 147 O CYS A 11 -43.380 -17.581 -32.658 1.00 7.19 O ATOM 148 CB CYS A 11 -42.621 -15.393 -30.440 1.00 7.19 C ATOM 149 1HB CYS A 11 -43.463 -15.366 -29.748 1.00 7.19 H ATOM 150 2HB CYS A 11 -42.093 -16.338 -30.306 1.00 7.19 H ATOM 151 SG CYS A 11 -41.481 -14.043 -30.044 1.00 7.19 S ATOM 152 HG CYS A 11 -42.400 -13.067 -30.042 1.00 7.19 H ATOM 153 N LYS A 12 -45.268 -16.577 -31.997 1.00 30.56 N ATOM 154 H LYS A 12 -45.703 -15.773 -31.546 1.00 30.56 H ATOM 155 CA LYS A 12 -46.096 -17.719 -32.408 1.00 30.56 C ATOM 156 HA LYS A 12 -45.558 -18.624 -32.134 1.00 30.56 H ATOM 157 C LYS A 12 -46.251 -17.753 -33.922 1.00 30.56 C ATOM 158 O LYS A 12 -46.412 -18.816 -34.500 1.00 30.56 O ATOM 159 CB LYS A 12 -47.455 -17.770 -31.677 1.00 30.56 C ATOM 160 1HB LYS A 12 -47.803 -18.803 -31.683 1.00 30.56 H ATOM 161 2HB LYS A 12 -47.283 -17.494 -30.637 1.00 30.56 H ATOM 162 CG LYS A 12 -48.594 -16.899 -32.229 1.00 30.56 C ATOM 163 1HG LYS A 12 -49.213 -16.558 -31.399 1.00 30.56 H ATOM 164 2HG LYS A 12 -48.169 -16.033 -32.713 1.00 30.56 H ATOM 165 CD LYS A 12 -49.491 -17.643 -33.229 1.00 30.56 C ATOM 166 1HD LYS A 12 -48.873 -18.162 -33.955 1.00 30.56 H ATOM 167 2HD LYS A 12 -50.083 -18.379 -32.688 1.00 30.56 H ATOM 168 CE LYS A 12 -50.416 -16.684 -33.977 1.00 30.56 C ATOM 169 1HE LYS A 12 -51.010 -16.129 -33.249 1.00 30.56 H ATOM 170 2HE LYS A 12 -49.802 -15.972 -34.537 1.00 30.56 H ATOM 171 NZ LYS A 12 -51.342 -17.395 -34.934 1.00 30.56 N ATOM 172 1HZ LYS A 12 -51.922 -16.724 -35.418 1.00 30.56 H ATOM 173 2HZ LYS A 12 -51.931 -18.046 -34.436 1.00 30.56 H ATOM 174 3HZ LYS A 12 -50.813 -17.911 -35.629 1.00 30.56 H ATOM 175 N THR A 13 -46.223 -16.602 -34.577 1.00 30.02 N ATOM 176 H THR A 13 -46.140 -15.729 -34.071 1.00 30.02 H ATOM 177 CA THR A 13 -46.299 -16.571 -36.036 1.00 30.02 C ATOM 178 HA THR A 13 -47.111 -17.208 -36.370 1.00 30.02 H ATOM 179 C THR A 13 -44.988 -17.146 -36.559 1.00 30.02 C ATOM 180 O THR A 13 -44.966 -17.919 -37.511 1.00 30.02 O ATOM 181 CB THR A 13 -46.562 -15.141 -36.546 1.00 30.02 C ATOM 182 HB THR A 13 -45.731 -14.492 -36.270 1.00 30.02 H ATOM 183 OG1 THR A 13 -47.765 -14.666 -35.933 1.00 30.02 O ATOM 184 HG1 THR A 13 -47.536 -14.298 -35.066 1.00 30.02 H ATOM 185 CG2 THR A 13 -46.772 -15.086 -38.045 1.00 30.02 C ATOM 186 1HG2 THR A 13 -46.984 -14.058 -38.337 1.00 30.02 H ATOM 187 2HG2 THR A 13 -47.613 -15.716 -38.329 1.00 30.02 H ATOM 188 3HG2 THR A 13 -45.873 -15.423 -38.563 1.00 30.02 H ATOM 189 N GLY A 14 -43.916 -16.830 -35.848 1.00 18.16 N ATOM 190 H GLY A 14 -43.994 -16.142 -35.109 1.00 18.16 H ATOM 191 CA GLY A 14 -42.630 -17.467 -36.057 1.00 18.16 C ATOM 192 1HA GLY A 14 -42.459 -17.589 -37.127 1.00 18.16 H ATOM 193 2HA GLY A 14 -41.854 -16.815 -35.659 1.00 18.16 H ATOM 194 C GLY A 14 -42.506 -18.828 -35.394 1.00 18.16 C ATOM 195 O GLY A 14 -43.468 -19.580 -35.234 1.00 18.16 O ATOM 196 N ALA A 15 -41.279 -19.154 -35.014 1.00 5.78 N ATOM 197 H ALA A 15 -40.561 -18.451 -35.046 1.00 5.78 H ATOM 198 CA ALA A 15 -40.883 -20.509 -34.633 1.00 5.78 C ATOM 199 HA ALA A 15 -41.027 -21.137 -35.513 1.00 5.78 H ATOM 200 C ALA A 15 -41.631 -21.225 -33.497 1.00 5.78 C ATOM 201 O ALA A 15 -41.538 -22.441 -33.412 1.00 5.78 O ATOM 202 CB ALA A 15 -39.376 -20.498 -34.326 1.00 5.78 C ATOM 203 1HB ALA A 15 -38.821 -20.108 -35.179 1.00 5.78 H ATOM 204 2HB ALA A 15 -39.043 -21.519 -34.128 1.00 5.78 H ATOM 205 3HB ALA A 15 -39.178 -19.886 -33.444 1.00 5.78 H ATOM 206 N LEU A 16 -42.356 -20.530 -32.630 1.00 3.15 N ATOM 207 H LEU A 16 -42.453 -19.525 -32.725 1.00 3.15 H ATOM 208 CA LEU A 16 -43.039 -21.229 -31.537 1.00 3.15 C ATOM 209 HA LEU A 16 -42.341 -21.937 -31.088 1.00 3.15 H ATOM 210 C LEU A 16 -44.247 -22.028 -32.020 1.00 3.15 C ATOM 211 O LEU A 16 -44.689 -22.946 -31.336 1.00 3.15 O ATOM 212 CB LEU A 16 -43.517 -20.264 -30.447 1.00 3.15 C ATOM 213 1HB LEU A 16 -44.247 -19.597 -30.892 1.00 3.15 H ATOM 214 2HB LEU A 16 -44.040 -20.862 -29.700 1.00 3.15 H ATOM 215 CG LEU A 16 -42.495 -19.399 -29.696 1.00 3.15 C ATOM 216 HG LEU A 16 -41.996 -18.745 -30.411 1.00 3.15 H ATOM 217 CD1 LEU A 16 -43.243 -18.532 -28.681 1.00 3.15 C ATOM 218 1HD1 LEU A 16 -42.540 -17.868 -28.177 1.00 3.15 H ATOM 219 2HD1 LEU A 16 -43.732 -19.164 -27.936 1.00 3.15 H ATOM 220 3HD1 LEU A 16 -43.996 -17.930 -29.189 1.00 3.15 H ATOM 221 CD2 LEU A 16 -41.430 -20.222 -28.973 1.00 3.15 C ATOM 222 1HD2 LEU A 16 -40.760 -19.561 -28.423 1.00 3.15 H ATOM 223 2HD2 LEU A 16 -40.840 -20.784 -29.698 1.00 3.15 H ATOM 224 3HD2 LEU A 16 -41.899 -20.920 -28.278 1.00 3.15 H ATOM 225 N MET A 17 -44.814 -21.651 -33.161 1.00 19.05 N ATOM 226 H MET A 17 -44.405 -20.887 -33.682 1.00 19.05 H ATOM 227 CA MET A 17 -46.029 -22.311 -33.656 1.00 19.05 C ATOM 228 HA MET A 17 -45.986 -23.359 -33.355 1.00 19.05 H ATOM 229 C MET A 17 -46.204 -22.297 -35.183 1.00 19.05 C ATOM 230 O MET A 17 -47.057 -22.998 -35.721 1.00 19.05 O ATOM 231 CB MET A 17 -47.229 -21.666 -32.934 1.00 19.05 C ATOM 232 1HB MET A 17 -47.021 -21.691 -31.866 1.00 19.05 H ATOM 233 2HB MET A 17 -47.290 -20.626 -33.220 1.00 19.05 H ATOM 234 CG MET A 17 -48.604 -22.274 -33.149 1.00 19.05 C ATOM 235 1HG MET A 17 -49.304 -21.738 -32.516 1.00 19.05 H ATOM 236 2HG MET A 17 -48.889 -22.104 -34.184 1.00 19.05 H ATOM 237 SD MET A 17 -48.771 -24.039 -32.811 1.00 19.05 S ATOM 238 CE MET A 17 -48.323 -24.162 -31.066 1.00 19.05 C ATOM 239 1HE MET A 17 -48.439 -25.195 -30.737 1.00 19.05 H ATOM 240 2HE MET A 17 -48.970 -23.519 -30.469 1.00 19.05 H ATOM 241 3HE MET A 17 -47.281 -23.864 -30.929 1.00 19.05 H ATOM 242 N GLY A 18 -45.429 -21.508 -35.917 1.00 0.28 N ATOM 243 H GLY A 18 -44.727 -20.912 -35.489 1.00 0.28 H ATOM 244 CA GLY A 18 -45.571 -21.458 -37.368 1.00 0.28 C ATOM 245 1HA GLY A 18 -44.793 -20.819 -37.784 1.00 0.28 H ATOM 246 2HA GLY A 18 -45.473 -22.463 -37.779 1.00 0.28 H ATOM 247 C GLY A 18 -46.927 -20.902 -37.756 1.00 0.28 C ATOM 248 O GLY A 18 -47.553 -21.338 -38.720 1.00 0.28 O ATOM 249 N CYS A 19 -47.425 -20.030 -36.887 1.00 32.62 N ATOM 250 H CYS A 19 -46.805 -19.730 -36.137 1.00 32.62 H ATOM 251 CA CYS A 19 -48.779 -19.469 -36.890 1.00 32.62 C ATOM 252 HA CYS A 19 -48.818 -18.784 -36.049 1.00 32.62 H ATOM 253 C CYS A 19 -49.939 -20.459 -36.691 1.00 32.62 C ATOM 254 O CYS A 19 -51.075 -20.033 -36.481 1.00 32.62 O ATOM 255 CB CYS A 19 -48.982 -18.623 -38.155 1.00 32.62 C ATOM 256 1HB CYS A 19 -48.015 -18.210 -38.446 1.00 32.62 H ATOM 257 2HB CYS A 19 -49.317 -19.280 -38.961 1.00 32.62 H ATOM 258 SG CYS A 19 -50.154 -17.250 -37.976 1.00 32.62 S ATOM 259 HG CYS A 19 -50.036 -16.792 -39.231 1.00 32.62 H ATOM 260 N ASN A 20 -49.652 -21.754 -36.708 1.00 38.08 N ATOM 261 H ASN A 20 -48.673 -22.031 -36.699 1.00 38.08 H ATOM 262 CA ASN A 20 -50.641 -22.819 -36.891 1.00 38.08 C ATOM 263 HA ASN A 20 -51.032 -22.726 -37.904 1.00 38.08 H ATOM 264 C ASN A 20 -51.863 -22.842 -35.969 1.00 38.08 C ATOM 265 O ASN A 20 -52.991 -22.860 -36.463 1.00 38.08 O ATOM 266 CB ASN A 20 -49.885 -24.149 -36.793 1.00 38.08 C ATOM 267 1HB ASN A 20 -49.059 -24.139 -37.502 1.00 38.08 H ATOM 268 2HB ASN A 20 -49.473 -24.260 -35.791 1.00 38.08 H ATOM 269 CG ASN A 20 -50.754 -25.338 -37.068 1.00 38.08 C ATOM 270 OD1 ASN A 20 -51.520 -25.760 -36.220 1.00 38.08 O ATOM 271 ND2 ASN A 20 -50.642 -25.895 -38.240 1.00 38.08 N ATOM 272 1HD2 ASN A 20 -51.199 -26.706 -38.444 1.00 38.08 H ATOM 273 2HD2 ASN A 20 -49.991 -25.526 -38.913 1.00 38.08 H ATOM 274 N MET A 21 -51.651 -22.860 -34.658 1.00 4.67 N ATOM 275 H MET A 21 -50.698 -22.907 -34.324 1.00 4.67 H ATOM 276 CA MET A 21 -52.726 -22.848 -33.652 1.00 4.67 C ATOM 277 HA MET A 21 -52.265 -23.070 -32.689 1.00 4.67 H ATOM 278 C MET A 21 -53.844 -23.884 -33.838 1.00 4.67 C ATOM 279 O MET A 21 -55.025 -23.573 -33.694 1.00 4.67 O ATOM 280 CB MET A 21 -53.358 -21.452 -33.530 1.00 4.67 C ATOM 281 1HB MET A 21 -53.825 -21.191 -34.479 1.00 4.67 H ATOM 282 2HB MET A 21 -54.138 -21.491 -32.770 1.00 4.67 H ATOM 283 CG MET A 21 -52.400 -20.339 -33.138 1.00 4.67 C ATOM 284 1HG MET A 21 -51.663 -20.216 -33.930 1.00 4.67 H ATOM 285 2HG MET A 21 -52.974 -19.417 -33.055 1.00 4.67 H ATOM 286 SD MET A 21 -51.521 -20.612 -31.579 1.00 4.67 S ATOM 287 CE MET A 21 -52.825 -20.695 -30.334 1.00 4.67 C ATOM 288 1HE MET A 21 -52.375 -20.816 -29.348 1.00 4.67 H ATOM 289 2HE MET A 21 -53.466 -21.557 -30.530 1.00 4.67 H ATOM 290 3HE MET A 21 -53.421 -19.783 -30.354 1.00 4.67 H ATOM 291 N LYS A 22 -53.506 -25.119 -34.187 1.00-16.47 N ATOM 292 H LYS A 22 -52.593 -25.300 -34.600 1.00-16.47 H ATOM 293 CA LYS A 22 -54.424 -26.245 -33.948 1.00-16.47 C ATOM 294 HA LYS A 22 -55.456 -25.895 -33.949 1.00-16.47 H ATOM 295 C LYS A 22 -54.159 -26.766 -32.546 1.00-16.47 C ATOM 296 O LYS A 22 -55.025 -27.365 -31.920 1.00-16.47 O ATOM 297 CB LYS A 22 -54.284 -27.347 -35.007 1.00-16.47 C ATOM 298 1HB LYS A 22 -53.243 -27.410 -35.317 1.00-16.47 H ATOM 299 2HB LYS A 22 -54.547 -28.296 -34.540 1.00-16.47 H ATOM 300 CG LYS A 22 -55.187 -27.185 -36.254 1.00-16.47 C ATOM 301 1HG LYS A 22 -55.000 -28.032 -36.914 1.00-16.47 H ATOM 302 2HG LYS A 22 -56.228 -27.234 -35.936 1.00-16.47 H ATOM 303 CD LYS A 22 -54.989 -25.892 -37.063 1.00-16.47 C ATOM 304 1HD LYS A 22 -53.995 -25.496 -36.866 1.00-16.47 H ATOM 305 2HD LYS A 22 -55.061 -26.123 -38.126 1.00-16.47 H ATOM 306 CE LYS A 22 -56.041 -24.831 -36.713 1.00-16.47 C ATOM 307 1HE LYS A 22 -57.012 -25.140 -37.104 1.00-16.47 H ATOM 308 2HE LYS A 22 -56.118 -24.758 -35.626 1.00-16.47 H ATOM 309 NZ LYS A 22 -55.677 -23.480 -37.246 1.00-16.47 N ATOM 310 1HZ LYS A 22 -56.355 -22.796 -36.943 1.00-16.47 H ATOM 311 2HZ LYS A 22 -55.635 -23.501 -38.253 1.00-16.47 H ATOM 312 3HZ LYS A 22 -54.762 -23.212 -36.885 1.00-16.47 H ATOM 313 N THR A 23 -52.991 -26.437 -32.022 1.00 4.25 N ATOM 314 H THR A 23 -52.257 -26.065 -32.596 1.00 4.25 H ATOM 315 CA THR A 23 -52.784 -26.461 -30.583 1.00 4.25 C ATOM 316 HA THR A 23 -53.164 -27.394 -30.177 1.00 4.25 H ATOM 317 C THR A 23 -53.565 -25.273 -30.029 1.00 4.25 C ATOM 318 O THR A 23 -53.418 -24.154 -30.523 1.00 4.25 O ATOM 319 CB THR A 23 -51.295 -26.305 -30.246 1.00 4.25 C ATOM 320 HB THR A 23 -50.970 -25.301 -30.516 1.00 4.25 H ATOM 321 OG1 THR A 23 -50.550 -27.250 -31.019 1.00 4.25 O ATOM 322 HG1 THR A 23 -50.707 -28.123 -30.654 1.00 4.25 H ATOM 323 CG2 THR A 23 -50.996 -26.567 -28.782 1.00 4.25 C ATOM 324 1HG2 THR A 23 -49.918 -26.548 -28.626 1.00 4.25 H ATOM 325 2HG2 THR A 23 -51.388 -27.540 -28.481 1.00 4.25 H ATOM 326 3HG2 THR A 23 -51.450 -25.789 -28.167 1.00 4.25 H ATOM 327 N ALA A 24 -54.415 -25.510 -29.044 1.00 13.01 N ATOM 328 H ALA A 24 -54.515 -26.454 -28.691 1.00 13.01 H ATOM 329 CA ALA A 24 -55.179 -24.441 -28.413 1.00 13.01 C ATOM 330 HA ALA A 24 -55.505 -23.730 -29.174 1.00 13.01 H ATOM 331 C ALA A 24 -54.263 -23.717 -27.415 1.00 13.01 C ATOM 332 O ALA A 24 -53.207 -24.228 -27.055 1.00 13.01 O ATOM 333 CB ALA A 24 -56.415 -25.035 -27.730 1.00 13.01 C ATOM 334 1HB ALA A 24 -57.045 -25.522 -28.474 1.00 13.01 H ATOM 335 2HB ALA A 24 -56.987 -24.249 -27.237 1.00 13.01 H ATOM 336 3HB ALA A 24 -56.110 -25.771 -26.987 1.00 13.01 H ATOM 337 N THR A 25 -54.671 -22.542 -26.950 1.00 -2.31 N ATOM 338 H THR A 25 -55.578 -22.187 -27.207 1.00 -2.31 H ATOM 339 CA THR A 25 -53.846 -21.723 -26.053 1.00 -2.31 C ATOM 340 HA THR A 25 -52.859 -21.587 -26.495 1.00 -2.31 H ATOM 341 C THR A 25 -53.638 -22.349 -24.675 1.00 -2.31 C ATOM 342 O THR A 25 -52.667 -22.054 -23.986 1.00 -2.31 O ATOM 343 CB THR A 25 -54.503 -20.349 -25.842 1.00 -2.31 C ATOM 344 HB THR A 25 -53.974 -19.803 -25.060 1.00 -2.31 H ATOM 345 OG1 THR A 25 -55.871 -20.548 -25.476 1.00 -2.31 O ATOM 346 HG1 THR A 25 -56.232 -19.699 -25.204 1.00 -2.31 H ATOM 347 CG2 THR A 25 -54.511 -19.524 -27.119 1.00 -2.31 C ATOM 348 1HG2 THR A 25 -54.947 -18.547 -26.911 1.00 -2.31 H ATOM 349 2HG2 THR A 25 -55.101 -20.019 -27.890 1.00 -2.31 H ATOM 350 3HG2 THR A 25 -53.489 -19.384 -27.471 1.00 -2.31 H ATOM 351 N CYS A 26 -54.525 -23.257 -24.306 1.00 1.69 N ATOM 352 H CYS A 26 -55.355 -23.403 -24.866 1.00 1.69 H ATOM 353 CA CYS A 26 -54.312 -24.200 -23.221 1.00 1.69 C ATOM 354 HA CYS A 26 -53.251 -24.402 -23.075 1.00 1.69 H ATOM 355 C CYS A 26 -55.024 -25.384 -23.851 1.00 1.69 C ATOM 356 O CYS A 26 -56.055 -25.165 -24.486 1.00 1.69 O ATOM 357 CB CYS A 26 -54.982 -23.742 -21.925 1.00 1.69 C ATOM 358 1HB CYS A 26 -54.555 -22.780 -21.638 1.00 1.69 H ATOM 359 2HB CYS A 26 -56.049 -23.611 -22.111 1.00 1.69 H ATOM 360 SG CYS A 26 -54.759 -24.913 -20.560 1.00 1.69 S ATOM 361 HG CYS A 26 -55.429 -24.208 -19.641 1.00 1.69 H ATOM 362 N HIS A 27 -54.467 -26.584 -23.773 1.00 2.10 N ATOM 363 H HIS A 27 -53.650 -26.715 -23.198 1.00 2.10 H ATOM 364 CA HIS A 27 -54.996 -27.708 -24.555 1.00 2.10 C ATOM 365 HA HIS A 27 -56.016 -27.475 -24.860 1.00 2.10 H ATOM 366 C HIS A 27 -55.038 -29.020 -23.786 1.00 2.10 C ATOM 367 O HIS A 27 -56.001 -29.775 -23.874 1.00 2.10 O ATOM 368 CB HIS A 27 -54.141 -27.871 -25.817 1.00 2.10 C ATOM 369 1HB HIS A 27 -53.843 -26.879 -26.157 1.00 2.10 H ATOM 370 2HB HIS A 27 -53.239 -28.433 -25.576 1.00 2.10 H ATOM 371 CG HIS A 27 -54.852 -28.539 -26.954 1.00 2.10 C ATOM 372 ND1 HIS A 27 -54.366 -28.500 -28.242 1.00 2.10 N ATOM 373 CD2 HIS A 27 -56.024 -29.234 -26.989 1.00 2.10 C ATOM 374 HD2 HIS A 27 -56.634 -29.445 -26.120 1.00 2.10 H ATOM 375 CE1 HIS A 27 -55.299 -29.134 -29.014 1.00 2.10 C ATOM 376 HE1 HIS A 27 -55.225 -29.236 -30.090 1.00 2.10 H ATOM 377 NE2 HIS A 27 -56.328 -29.613 -28.273 1.00 2.10 N ATOM 378 HE2 HIS A 27 -57.136 -30.123 -28.599 1.00 2.10 H ATOM 379 N CYS A 28 -54.004 -29.271 -23.002 1.00 -2.03 N ATOM 380 H CYS A 28 -53.230 -28.626 -22.939 1.00 -2.03 H ATOM 381 CA CYS A 28 -53.910 -30.446 -22.153 1.00 -2.03 C ATOM 382 HA CYS A 28 -54.891 -30.730 -21.769 1.00 -2.03 H ATOM 383 C CYS A 28 -53.019 -29.966 -21.017 1.00 -2.03 C ATOM 384 O CYS A 28 -52.461 -28.868 -21.111 1.00 -2.03 O ATOM 385 CB CYS A 28 -53.274 -31.610 -22.921 1.00 -2.03 C ATOM 386 1HB CYS A 28 -53.182 -32.469 -22.254 1.00 -2.03 H ATOM 387 2HB CYS A 28 -53.940 -31.879 -23.742 1.00 -2.03 H ATOM 388 SG CYS A 28 -51.644 -31.216 -23.609 1.00 -2.03 S ATOM 389 HG CYS A 28 -51.444 -32.391 -24.217 1.00 -2.03 H ATOM 390 N SER A 29 -52.882 -30.767 -19.974 1.00 8.70 N ATOM 391 H SER A 29 -53.342 -31.668 -19.949 1.00 8.70 H ATOM 392 CA SER A 29 -52.056 -30.452 -18.819 1.00 8.70 C ATOM 393 HA SER A 29 -51.187 -29.857 -19.102 1.00 8.70 H ATOM 394 C SER A 29 -51.619 -31.817 -18.315 1.00 8.70 C ATOM 395 O SER A 29 -52.165 -32.827 -18.763 1.00 8.70 O ATOM 396 CB SER A 29 -52.884 -29.722 -17.761 1.00 8.70 C ATOM 397 1HB SER A 29 -52.271 -29.545 -16.876 1.00 8.70 H ATOM 398 2HB SER A 29 -53.217 -28.765 -18.164 1.00 8.70 H ATOM 399 OG SER A 29 -54.017 -30.495 -17.410 1.00 8.70 O ATOM 400 HG SER A 29 -54.194 -30.369 -16.465 1.00 8.70 H ATOM 401 N ILE A 30 -50.650 -31.858 -17.412 1.00-27.55 N ATOM 402 H ILE A 30 -50.240 -31.004 -17.065 1.00-27.55 H ATOM 403 CA ILE A 30 -50.170 -33.106 -16.826 1.00-27.55 C ATOM 404 HA ILE A 30 -50.811 -33.939 -17.112 1.00-27.55 H ATOM 405 C ILE A 30 -50.300 -32.846 -15.334 1.00-27.55 C ATOM 406 O ILE A 30 -49.902 -31.778 -14.864 1.00-27.55 O ATOM 407 CB ILE A 30 -48.692 -33.420 -17.223 1.00-27.55 C ATOM 408 HB ILE A 30 -48.067 -32.582 -16.912 1.00-27.55 H ATOM 409 CG1 ILE A 30 -48.578 -33.572 -18.756 1.00-27.55 C ATOM 410 1HG1 ILE A 30 -49.129 -34.464 -19.057 1.00-27.55 H ATOM 411 2HG1 ILE A 30 -49.049 -32.714 -19.233 1.00-27.55 H ATOM 412 CG2 ILE A 30 -48.188 -34.705 -16.506 1.00-27.55 C ATOM 413 1HG2 ILE A 30 -47.142 -34.891 -16.752 1.00-27.55 H ATOM 414 2HG2 ILE A 30 -48.785 -35.568 -16.807 1.00-27.55 H ATOM 415 3HG2 ILE A 30 -48.257 -34.586 -15.423 1.00-27.55 H ATOM 416 CD1 ILE A 30 -47.148 -33.671 -19.313 1.00-27.55 C ATOM 417 1HD1 ILE A 30 -47.187 -33.666 -20.402 1.00-27.55 H ATOM 418 2HD1 ILE A 30 -46.676 -34.596 -18.983 1.00-27.55 H ATOM 419 3HD1 ILE A 30 -46.558 -32.818 -18.975 1.00-27.55 H ATOM 420 N HIS A 31 -50.873 -33.795 -14.612 1.00 -3.77 N ATOM 421 H HIS A 31 -51.156 -34.664 -15.043 1.00 -3.77 H ATOM 422 CA HIS A 31 -51.062 -33.707 -13.170 1.00 -3.77 C ATOM 423 HA HIS A 31 -50.384 -32.974 -12.734 1.00 -3.77 H ATOM 424 C HIS A 31 -50.717 -35.100 -12.676 1.00 -3.77 C ATOM 425 O HIS A 31 -50.611 -36.016 -13.500 1.00 -3.77 O ATOM 426 CB HIS A 31 -52.514 -33.361 -12.823 1.00 -3.77 C ATOM 427 1HB HIS A 31 -53.163 -34.145 -13.214 1.00 -3.77 H ATOM 428 2HB HIS A 31 -52.618 -33.337 -11.738 1.00 -3.77 H ATOM 429 CG HIS A 31 -52.968 -32.046 -13.377 1.00 -3.77 C ATOM 430 ND1 HIS A 31 -52.425 -30.831 -13.033 1.00 -3.77 N ATOM 431 HD1 HIS A 31 -51.656 -30.689 -12.397 1.00 -3.77 H ATOM 432 CD2 HIS A 31 -53.939 -31.754 -14.281 1.00 -3.77 C ATOM 433 HD2 HIS A 31 -54.566 -32.486 -14.769 1.00 -3.77 H ATOM 434 CE1 HIS A 31 -53.075 -29.880 -13.705 1.00 -3.77 C ATOM 435 HE1 HIS A 31 -52.860 -28.822 -13.631 1.00 -3.77 H ATOM 436 NE2 HIS A 31 -54.011 -30.391 -14.479 1.00 -3.77 N ATOM 437 N VAL A 32 -50.563 -35.248 -11.369 1.00-32.43 N ATOM 438 H VAL A 32 -50.704 -34.464 -10.737 1.00-32.43 H ATOM 439 CA VAL A 32 -50.329 -36.515 -10.684 1.00-32.43 C ATOM 440 HA VAL A 32 -50.683 -37.360 -11.272 1.00-32.43 H ATOM 441 C VAL A 32 -51.241 -36.262 -9.494 1.00-32.43 C ATOM 442 O VAL A 32 -51.896 -37.174 -8.957 1.00-32.43 O ATOM 443 OXT VAL A 32 -51.315 -35.048 -9.178 1.00-32.43 O ATOM 444 CB VAL A 32 -48.851 -36.702 -10.247 1.00-32.43 C ATOM 445 HB VAL A 32 -48.573 -35.869 -9.599 1.00-32.43 H ATOM 446 CG1 VAL A 32 -48.672 -38.012 -9.469 1.00-32.43 C ATOM 447 1HG1 VAL A 32 -47.637 -38.120 -9.152 1.00-32.43 H ATOM 448 2HG1 VAL A 32 -48.958 -38.860 -10.093 1.00-32.43 H ATOM 449 3HG1 VAL A 32 -49.312 -37.998 -8.583 1.00-32.43 H ATOM 450 CG2 VAL A 32 -47.915 -36.702 -11.469 1.00-32.43 C ATOM 451 1HG2 VAL A 32 -46.890 -36.888 -11.152 1.00-32.43 H ATOM 452 2HG2 VAL A 32 -47.960 -35.734 -11.965 1.00-32.43 H ATOM 453 3HG2 VAL A 32 -48.227 -37.475 -12.174 1.00-32.43 H TER 454 VAL A 32 END
SEQUENCE	ITSISLCTPGCKTGALMGCNMKTATCHCSIHVSK
HELICITY	5.90	INSTAB. INDEX	27.52	FLEXIBILITY	14.46
a HYD. MOM.	11.98	b HYD. MOM.	16.36	c HYD. MOM	2.64
a MEAN HYD. MOM.	0.35	b MEAN HYD. MOM.	0.48	c MEAN HYD. MOM.	0.08
CHARGE pH5	4.82	CHARGE pH7	2.96	CHARGE pH9	-1.38
Δ CHARGE pH5-pH9	6.20	ISOELECTRIC POINT	8.78	BOMAN INDEX	0.38
ΔG	14	CPP	-0,61	MLP	-7,65
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	Firmicutes	CLASS	Bacilli	ORDER	Lactobacillales
FAMILY	Streptococcaceae	GENUS	Lactococcus	SPECIES	Lactococcus lactis subsp. Lactis
DATE	1990
TITLE PAPER	The inhibiting effect of Streptococcus lactis on Lactobacillus bulgaricus.