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ID	1561	NAME	CM5   Blast NCBI-PROT
LENGTH	26	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\KLFKKIGIGAVLKVLTTGLPALKLTK.pdb REMARK YASARA Written on: Wed May 14 13:33:19 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 436 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 2.20 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 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 26.05200 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 57.21300 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 26.05200 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 57.21300 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CENTRIN; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: MELITTIN; COMPND 6 MOL_ID: 3; COMPND 7 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 0.928.; SEQRES 1 A 26 LYS LEU PHE LYS LYS ILE GLY ILE GLY ALA VAL LEU LYS SEQRES 2 A 26 VAL LEU THR THR GLY LEU PRO ALA LEU LYS LEU THR LYS CRYST1 52.104 114.426 34.842 90.00 90.00 90.00 P 21 21 2 4 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 0.019193 0.000000 0.000000 0.00000 SCALE2 0.000000 0.008739 0.000000 0.00000 SCALE3 0.000000 0.000000 0.028701 0.00000 ATOM 1 N LYS A 1 4.015 75.707 -21.560 1.00-18.57 N ATOM 2 1H LYS A 1 4.933 75.712 -21.982 1.00-18.57 H ATOM 3 2H LYS A 1 3.672 74.755 -21.516 1.00-18.57 H ATOM 4 3H LYS A 1 4.084 76.080 -20.622 1.00-18.57 H ATOM 5 CA LYS A 1 3.078 76.549 -22.370 1.00-18.57 C ATOM 6 HA LYS A 1 3.027 76.157 -23.386 1.00-18.57 H ATOM 7 C LYS A 1 3.581 77.985 -22.403 1.00-18.57 C ATOM 8 O LYS A 1 3.683 78.594 -21.349 1.00-18.57 O ATOM 9 CB LYS A 1 1.675 76.511 -21.728 1.00-18.57 C ATOM 10 1HB LYS A 1 1.376 75.469 -21.624 1.00-18.57 H ATOM 11 2HB LYS A 1 1.746 76.938 -20.727 1.00-18.57 H ATOM 12 CG LYS A 1 0.560 77.256 -22.488 1.00-18.57 C ATOM 13 1HG LYS A 1 0.849 78.297 -22.634 1.00-18.57 H ATOM 14 2HG LYS A 1 0.413 76.781 -23.456 1.00-18.57 H ATOM 15 CD LYS A 1 -0.755 77.218 -21.694 1.00-18.57 C ATOM 16 1HD LYS A 1 -1.010 76.177 -21.484 1.00-18.57 H ATOM 17 2HD LYS A 1 -0.609 77.740 -20.747 1.00-18.57 H ATOM 18 CE LYS A 1 -1.920 77.869 -22.448 1.00-18.57 C ATOM 19 1HE LYS A 1 -1.641 78.893 -22.711 1.00-18.57 H ATOM 20 2HE LYS A 1 -2.095 77.315 -23.375 1.00-18.57 H ATOM 21 NZ LYS A 1 -3.203 77.898 -21.647 1.00-18.57 N ATOM 22 1HZ LYS A 1 -3.941 78.334 -22.187 1.00-18.57 H ATOM 23 2HZ LYS A 1 -3.071 78.430 -20.795 1.00-18.57 H ATOM 24 3HZ LYS A 1 -3.486 76.958 -21.411 1.00-18.57 H ATOM 25 N LEU A 2 3.888 78.549 -23.566 1.00 3.76 N ATOM 26 H LEU A 2 3.787 78.041 -24.431 1.00 3.76 H ATOM 27 CA LEU A 2 4.369 79.935 -23.648 1.00 3.76 C ATOM 28 HA LEU A 2 4.984 80.152 -22.773 1.00 3.76 H ATOM 29 C LEU A 2 3.187 80.906 -23.640 1.00 3.76 C ATOM 30 O LEU A 2 2.873 81.537 -24.642 1.00 3.76 O ATOM 31 CB LEU A 2 5.217 80.151 -24.910 1.00 3.76 C ATOM 32 1HB LEU A 2 4.597 79.919 -25.777 1.00 3.76 H ATOM 33 2HB LEU A 2 5.475 81.210 -24.960 1.00 3.76 H ATOM 34 CG LEU A 2 6.525 79.353 -25.042 1.00 3.76 C ATOM 35 HG LEU A 2 6.294 78.292 -24.964 1.00 3.76 H ATOM 36 CD1 LEU A 2 7.139 79.608 -26.414 1.00 3.76 C ATOM 37 1HD1 LEU A 2 8.050 79.015 -26.520 1.00 3.76 H ATOM 38 2HD1 LEU A 2 7.393 80.664 -26.525 1.00 3.76 H ATOM 39 3HD1 LEU A 2 6.442 79.307 -27.194 1.00 3.76 H ATOM 40 CD2 LEU A 2 7.537 79.708 -23.950 1.00 3.76 C ATOM 41 1HD2 LEU A 2 8.459 79.141 -24.102 1.00 3.76 H ATOM 42 2HD2 LEU A 2 7.148 79.457 -22.964 1.00 3.76 H ATOM 43 3HD2 LEU A 2 7.779 80.773 -23.980 1.00 3.76 H ATOM 44 N PHE A 3 2.487 80.986 -22.519 1.00 -4.68 N ATOM 45 H PHE A 3 2.800 80.475 -21.695 1.00 -4.68 H ATOM 46 CA PHE A 3 1.242 81.749 -22.461 1.00 -4.68 C ATOM 47 HA PHE A 3 0.599 81.380 -23.256 1.00 -4.68 H ATOM 48 C PHE A 3 1.415 83.243 -22.714 1.00 -4.68 C ATOM 49 O PHE A 3 0.537 83.864 -23.293 1.00 -4.68 O ATOM 50 CB PHE A 3 0.520 81.506 -21.136 1.00 -4.68 C ATOM 51 1HB PHE A 3 0.406 80.430 -20.997 1.00 -4.68 H ATOM 52 2HB PHE A 3 1.127 81.896 -20.320 1.00 -4.68 H ATOM 53 CG PHE A 3 -0.843 82.142 -21.078 1.00 -4.68 C ATOM 54 CD1 PHE A 3 -1.845 81.776 -22.001 1.00 -4.68 C ATOM 55 HD1 PHE A 3 -1.648 81.022 -22.742 1.00 -4.68 H ATOM 56 CD2 PHE A 3 -1.119 83.147 -20.133 1.00 -4.68 C ATOM 57 HD2 PHE A 3 -0.359 83.450 -19.423 1.00 -4.68 H ATOM 58 CE1 PHE A 3 -3.110 82.407 -21.986 1.00 -4.68 C ATOM 59 HE1 PHE A 3 -3.862 82.140 -22.713 1.00 -4.68 H ATOM 60 CE2 PHE A 3 -2.387 83.781 -20.100 1.00 -4.68 C ATOM 61 HE2 PHE A 3 -2.591 84.552 -19.367 1.00 -4.68 H ATOM 62 CZ PHE A 3 -3.382 83.414 -21.031 1.00 -4.68 C ATOM 63 HZ PHE A 3 -4.344 83.909 -21.020 1.00 -4.68 H ATOM 64 N LYS A 4 2.568 83.816 -22.390 1.00 -3.65 N ATOM 65 H LYS A 4 3.273 83.282 -21.908 1.00 -3.65 H ATOM 66 CA LYS A 4 2.816 85.228 -22.719 1.00 -3.65 C ATOM 67 HA LYS A 4 2.035 85.829 -22.250 1.00 -3.65 H ATOM 68 C LYS A 4 2.732 85.480 -24.225 1.00 -3.65 C ATOM 69 O LYS A 4 2.197 86.490 -24.650 1.00 -3.65 O ATOM 70 CB LYS A 4 4.173 85.688 -22.169 1.00 -3.65 C ATOM 71 1HB LYS A 4 4.230 85.408 -21.116 1.00 -3.65 H ATOM 72 2HB LYS A 4 4.970 85.175 -22.712 1.00 -3.65 H ATOM 73 CG LYS A 4 4.387 87.200 -22.272 1.00 -3.65 C ATOM 74 1HG LYS A 4 4.356 87.498 -23.319 1.00 -3.65 H ATOM 75 2HG LYS A 4 3.578 87.706 -21.743 1.00 -3.65 H ATOM 76 CD LYS A 4 5.716 87.646 -21.677 1.00 -3.65 C ATOM 77 1HD LYS A 4 5.767 87.327 -20.637 1.00 -3.65 H ATOM 78 2HD LYS A 4 6.532 87.184 -22.235 1.00 -3.65 H ATOM 79 CE LYS A 4 5.844 89.169 -21.748 1.00 -3.65 C ATOM 80 1HE LYS A 4 5.757 89.477 -22.791 1.00 -3.65 H ATOM 81 2HE LYS A 4 5.021 89.620 -21.189 1.00 -3.65 H ATOM 82 NZ LYS A 4 7.154 89.662 -21.190 1.00 -3.65 N ATOM 83 1HZ LYS A 4 7.209 90.669 -21.276 1.00 -3.65 H ATOM 84 2HZ LYS A 4 7.923 89.248 -21.698 1.00 -3.65 H ATOM 85 3HZ LYS A 4 7.230 89.410 -20.213 1.00 -3.65 H ATOM 86 N LYS A 5 3.205 84.549 -25.045 1.00-12.25 N ATOM 87 H LYS A 5 3.586 83.697 -24.666 1.00-12.25 H ATOM 88 CA LYS A 5 3.147 84.721 -26.501 1.00-12.25 C ATOM 89 HA LYS A 5 3.553 85.698 -26.766 1.00-12.25 H ATOM 90 C LYS A 5 1.702 84.676 -26.984 1.00-12.25 C ATOM 91 O LYS A 5 1.311 85.403 -27.888 1.00-12.25 O ATOM 92 CB LYS A 5 3.971 83.626 -27.194 1.00-12.25 C ATOM 93 1HB LYS A 5 4.957 83.585 -26.729 1.00-12.25 H ATOM 94 2HB LYS A 5 3.477 82.666 -27.037 1.00-12.25 H ATOM 95 CG LYS A 5 4.158 83.841 -28.689 1.00-12.25 C ATOM 96 1HG LYS A 5 3.181 83.877 -29.172 1.00-12.25 H ATOM 97 2HG LYS A 5 4.669 84.788 -28.854 1.00-12.25 H ATOM 98 CD LYS A 5 4.972 82.720 -29.318 1.00-12.25 C ATOM 99 1HD LYS A 5 5.953 82.680 -28.840 1.00-12.25 H ATOM 100 2HD LYS A 5 4.457 81.773 -29.157 1.00-12.25 H ATOM 101 CE LYS A 5 5.137 82.959 -30.820 1.00-12.25 C ATOM 102 1HE LYS A 5 4.147 83.023 -31.277 1.00-12.25 H ATOM 103 2HE LYS A 5 5.644 83.917 -30.969 1.00-12.25 H ATOM 104 NZ LYS A 5 5.927 81.870 -31.494 1.00-12.25 N ATOM 105 1HZ LYS A 5 6.011 82.074 -32.482 1.00-12.25 H ATOM 106 2HZ LYS A 5 5.461 80.980 -31.381 1.00-12.25 H ATOM 107 3HZ LYS A 5 6.852 81.814 -31.092 1.00-12.25 H ATOM 108 N ILE A 6 0.904 83.835 -26.345 1.00-10.04 N ATOM 109 H ILE A 6 1.279 83.276 -25.595 1.00-10.04 H ATOM 110 CA ILE A 6 -0.514 83.695 -26.677 1.00-10.04 C ATOM 111 HA ILE A 6 -0.616 83.561 -27.754 1.00-10.04 H ATOM 112 C ILE A 6 -1.215 85.002 -26.300 1.00-10.04 C ATOM 113 O ILE A 6 -1.999 85.537 -27.083 1.00-10.04 O ATOM 114 CB ILE A 6 -1.147 82.460 -25.951 1.00-10.04 C ATOM 115 HB ILE A 6 -1.039 82.594 -24.878 1.00-10.04 H ATOM 116 CG1 ILE A 6 -0.392 81.177 -26.363 1.00-10.04 C ATOM 117 1HG1 ILE A 6 -0.579 81.000 -27.423 1.00-10.04 H ATOM 118 2HG1 ILE A 6 0.677 81.334 -26.238 1.00-10.04 H ATOM 119 CG2 ILE A 6 -2.657 82.339 -26.276 1.00-10.04 C ATOM 120 1HG2 ILE A 6 -3.104 81.509 -25.731 1.00-10.04 H ATOM 121 2HG2 ILE A 6 -2.806 82.185 -27.346 1.00-10.04 H ATOM 122 3HG2 ILE A 6 -3.179 83.248 -25.979 1.00-10.04 H ATOM 123 CD1 ILE A 6 -0.756 79.900 -25.590 1.00-10.04 C ATOM 124 1HD1 ILE A 6 -0.113 79.088 -25.926 1.00-10.04 H ATOM 125 2HD1 ILE A 6 -1.795 79.624 -25.784 1.00-10.04 H ATOM 126 3HD1 ILE A 6 -0.608 80.057 -24.525 1.00-10.04 H ATOM 127 N GLY A 7 -0.883 85.556 -25.142 1.00 -8.13 N ATOM 128 H GLY A 7 -0.245 85.070 -24.517 1.00 -8.13 H ATOM 129 CA GLY A 7 -1.430 86.838 -24.727 1.00 -8.13 C ATOM 130 1HA GLY A 7 -2.517 86.761 -24.701 1.00 -8.13 H ATOM 131 2HA GLY A 7 -1.073 87.069 -23.724 1.00 -8.13 H ATOM 132 C GLY A 7 -1.059 87.979 -25.654 1.00 -8.13 C ATOM 133 O GLY A 7 -1.921 88.774 -25.999 1.00 -8.13 O ATOM 134 N ILE A 8 0.184 88.052 -26.110 1.00 -3.08 N ATOM 135 H ILE A 8 0.873 87.375 -25.789 1.00 -3.08 H ATOM 136 CA ILE A 8 0.594 89.087 -27.067 1.00 -3.08 C ATOM 137 HA ILE A 8 0.339 90.069 -26.669 1.00 -3.08 H ATOM 138 C ILE A 8 -0.197 88.894 -28.360 1.00 -3.08 C ATOM 139 O ILE A 8 -0.718 89.856 -28.925 1.00 -3.08 O ATOM 140 CB ILE A 8 2.127 89.039 -27.347 1.00 -3.08 C ATOM 141 HB ILE A 8 2.391 88.022 -27.640 1.00 -3.08 H ATOM 142 CG1 ILE A 8 2.905 89.413 -26.068 1.00 -3.08 C ATOM 143 1HG1 ILE A 8 2.829 90.491 -25.919 1.00 -3.08 H ATOM 144 2HG1 ILE A 8 2.441 88.933 -25.211 1.00 -3.08 H ATOM 145 CG2 ILE A 8 2.531 90.007 -28.494 1.00 -3.08 C ATOM 146 1HG2 ILE A 8 3.609 89.987 -28.653 1.00 -3.08 H ATOM 147 2HG2 ILE A 8 2.221 91.027 -28.254 1.00 -3.08 H ATOM 148 3HG2 ILE A 8 2.053 89.706 -29.426 1.00 -3.08 H ATOM 149 CD1 ILE A 8 4.392 89.018 -26.068 1.00 -3.08 C ATOM 150 1HD1 ILE A 8 4.837 89.288 -25.114 1.00 -3.08 H ATOM 151 2HD1 ILE A 8 4.923 89.547 -26.862 1.00 -3.08 H ATOM 152 3HD1 ILE A 8 4.487 87.945 -26.218 1.00 -3.08 H ATOM 153 N GLY A 9 -0.363 87.655 -28.803 1.00 -4.75 N ATOM 154 H GLY A 9 0.067 86.877 -28.310 1.00 -4.75 H ATOM 155 CA GLY A 9 -1.169 87.391 -29.983 1.00 -4.75 C ATOM 156 1HA GLY A 9 -0.729 87.909 -30.836 1.00 -4.75 H ATOM 157 2HA GLY A 9 -1.167 86.319 -30.179 1.00 -4.75 H ATOM 158 C GLY A 9 -2.605 87.859 -29.831 1.00 -4.75 C ATOM 159 O GLY A 9 -3.196 88.388 -30.772 1.00 -4.75 O ATOM 160 N ALA A 10 -3.179 87.705 -28.647 1.00-15.73 N ATOM 161 H ALA A 10 -2.669 87.243 -27.897 1.00-15.73 H ATOM 162 CA ALA A 10 -4.524 88.199 -28.383 1.00-15.73 C ATOM 163 HA ALA A 10 -5.182 87.842 -29.175 1.00-15.73 H ATOM 164 C ALA A 10 -4.559 89.733 -28.398 1.00-15.73 C ATOM 165 O ALA A 10 -5.454 90.309 -28.999 1.00-15.73 O ATOM 166 CB ALA A 10 -5.033 87.650 -27.045 1.00-15.73 C ATOM 167 1HB ALA A 10 -5.005 86.558 -27.056 1.00-15.73 H ATOM 168 2HB ALA A 10 -6.059 87.983 -26.883 1.00-15.73 H ATOM 169 3HB ALA A 10 -4.410 88.016 -26.228 1.00-15.73 H ATOM 170 N VAL A 11 -3.586 90.393 -27.782 1.00 1.03 N ATOM 171 H VAL A 11 -2.857 89.871 -27.297 1.00 1.03 H ATOM 172 CA VAL A 11 -3.530 91.859 -27.762 1.00 1.03 C ATOM 173 HA VAL A 11 -4.467 92.244 -27.360 1.00 1.03 H ATOM 174 C VAL A 11 -3.395 92.401 -29.180 1.00 1.03 C ATOM 175 O VAL A 11 -4.068 93.359 -29.534 1.00 1.03 O ATOM 176 CB VAL A 11 -2.361 92.383 -26.869 1.00 1.03 C ATOM 177 HB VAL A 11 -1.435 91.909 -27.193 1.00 1.03 H ATOM 178 CG1 VAL A 11 -2.179 93.908 -26.971 1.00 1.03 C ATOM 179 1HG1 VAL A 11 -1.416 94.239 -26.266 1.00 1.03 H ATOM 180 2HG1 VAL A 11 -3.117 94.420 -26.751 1.00 1.03 H ATOM 181 3HG1 VAL A 11 -1.856 94.176 -27.977 1.00 1.03 H ATOM 182 CG2 VAL A 11 -2.612 92.029 -25.394 1.00 1.03 C ATOM 183 1HG2 VAL A 11 -1.756 92.335 -24.790 1.00 1.03 H ATOM 184 2HG2 VAL A 11 -2.742 90.958 -25.275 1.00 1.03 H ATOM 185 3HG2 VAL A 11 -3.510 92.532 -25.032 1.00 1.03 H ATOM 186 N LEU A 12 -2.598 91.771 -30.030 1.00 0.55 N ATOM 187 H LEU A 12 -2.045 90.976 -29.711 1.00 0.55 H ATOM 188 CA LEU A 12 -2.479 92.220 -31.417 1.00 0.55 C ATOM 189 HA LEU A 12 -2.172 93.263 -31.424 1.00 0.55 H ATOM 190 C LEU A 12 -3.819 92.138 -32.144 1.00 0.55 C ATOM 191 O LEU A 12 -4.171 93.034 -32.904 1.00 0.55 O ATOM 192 CB LEU A 12 -1.435 91.379 -32.160 1.00 0.55 C ATOM 193 1HB LEU A 12 -1.686 90.329 -32.013 1.00 0.55 H ATOM 194 2HB LEU A 12 -1.527 91.595 -33.224 1.00 0.55 H ATOM 195 CG LEU A 12 0.040 91.583 -31.770 1.00 0.55 C ATOM 196 HG LEU A 12 0.138 91.485 -30.692 1.00 0.55 H ATOM 197 CD1 LEU A 12 0.899 90.504 -32.421 1.00 0.55 C ATOM 198 1HD1 LEU A 12 1.937 90.631 -32.114 1.00 0.55 H ATOM 199 2HD1 LEU A 12 0.834 90.567 -33.510 1.00 0.55 H ATOM 200 3HD1 LEU A 12 0.561 89.522 -32.098 1.00 0.55 H ATOM 201 CD2 LEU A 12 0.566 92.964 -32.170 1.00 0.55 C ATOM 202 1HD2 LEU A 12 1.618 93.044 -31.896 1.00 0.55 H ATOM 203 2HD2 LEU A 12 0.018 93.740 -31.640 1.00 0.55 H ATOM 204 3HD2 LEU A 12 0.461 93.109 -33.246 1.00 0.55 H ATOM 205 N LYS A 13 -4.605 91.104 -31.879 1.00-26.90 N ATOM 206 H LYS A 13 -4.282 90.389 -31.235 1.00-26.90 H ATOM 207 CA LYS A 13 -5.937 91.004 -32.484 1.00-26.90 C ATOM 208 HA LYS A 13 -5.841 91.153 -33.560 1.00-26.90 H ATOM 209 C LYS A 13 -6.870 92.086 -31.948 1.00-26.90 C ATOM 210 O LYS A 13 -7.616 92.685 -32.717 1.00-26.90 O ATOM 211 CB LYS A 13 -6.540 89.621 -32.229 1.00-26.90 C ATOM 212 1HB LYS A 13 -6.534 89.432 -31.157 1.00-26.90 H ATOM 213 2HB LYS A 13 -7.575 89.612 -32.573 1.00-26.90 H ATOM 214 CG LYS A 13 -5.784 88.504 -32.928 1.00-26.90 C ATOM 215 1HG LYS A 13 -5.963 88.564 -34.002 1.00-26.90 H ATOM 216 2HG LYS A 13 -4.718 88.620 -32.749 1.00-26.90 H ATOM 217 CD LYS A 13 -6.212 87.143 -32.409 1.00-26.90 C ATOM 218 1HD LYS A 13 -6.095 87.128 -31.324 1.00-26.90 H ATOM 219 2HD LYS A 13 -7.259 86.968 -32.663 1.00-26.90 H ATOM 220 CE LYS A 13 -5.339 86.060 -33.020 1.00-26.90 C ATOM 221 1HE LYS A 13 -5.431 86.106 -34.108 1.00-26.90 H ATOM 222 2HE LYS A 13 -4.299 86.261 -32.753 1.00-26.90 H ATOM 223 NZ LYS A 13 -5.725 84.691 -32.533 1.00-26.90 N ATOM 224 1HZ LYS A 13 -5.114 83.997 -32.943 1.00-26.90 H ATOM 225 2HZ LYS A 13 -6.683 84.490 -32.796 1.00-26.90 H ATOM 226 3HZ LYS A 13 -5.639 84.652 -31.525 1.00-26.90 H ATOM 227 N VAL A 14 -6.799 92.380 -30.659 1.00 -1.70 N ATOM 228 H VAL A 14 -6.162 91.859 -30.060 1.00 -1.70 H ATOM 229 CA VAL A 14 -7.607 93.450 -30.067 1.00 -1.70 C ATOM 230 HA VAL A 14 -8.653 93.279 -30.315 1.00 -1.70 H ATOM 231 C VAL A 14 -7.207 94.790 -30.682 1.00 -1.70 C ATOM 232 O VAL A 14 -8.062 95.607 -30.983 1.00 -1.70 O ATOM 233 CB VAL A 14 -7.468 93.480 -28.510 1.00 -1.70 C ATOM 234 HB VAL A 14 -6.411 93.536 -28.253 1.00 -1.70 H ATOM 235 CG1 VAL A 14 -8.183 94.690 -27.882 1.00 -1.70 C ATOM 236 1HG1 VAL A 14 -8.116 94.639 -26.794 1.00 -1.70 H ATOM 237 2HG1 VAL A 14 -9.233 94.708 -28.181 1.00 -1.70 H ATOM 238 3HG1 VAL A 14 -7.704 95.612 -28.212 1.00 -1.70 H ATOM 239 CG2 VAL A 14 -8.060 92.199 -27.897 1.00 -1.70 C ATOM 240 1HG2 VAL A 14 -7.897 92.201 -26.820 1.00 -1.70 H ATOM 241 2HG2 VAL A 14 -7.578 91.320 -28.313 1.00 -1.70 H ATOM 242 3HG2 VAL A 14 -9.130 92.147 -28.104 1.00 -1.70 H ATOM 243 N LEU A 15 -5.928 95.017 -30.940 1.00 1.72 N ATOM 244 H LEU A 15 -5.226 94.335 -30.657 1.00 1.72 H ATOM 245 CA LEU A 15 -5.511 96.250 -31.608 1.00 1.72 C ATOM 246 HA LEU A 15 -5.910 97.098 -31.054 1.00 1.72 H ATOM 247 C LEU A 15 -6.072 96.334 -33.024 1.00 1.72 C ATOM 248 O LEU A 15 -6.538 97.394 -33.437 1.00 1.72 O ATOM 249 CB LEU A 15 -3.981 96.352 -31.642 1.00 1.72 C ATOM 250 1HB LEU A 15 -3.594 95.432 -32.076 1.00 1.72 H ATOM 251 2HB LEU A 15 -3.718 97.171 -32.314 1.00 1.72 H ATOM 252 CG LEU A 15 -3.260 96.590 -30.305 1.00 1.72 C ATOM 253 HG LEU A 15 -3.588 95.846 -29.586 1.00 1.72 H ATOM 254 CD1 LEU A 15 -1.755 96.428 -30.500 1.00 1.72 C ATOM 255 1HD1 LEU A 15 -1.245 96.559 -29.548 1.00 1.72 H ATOM 256 2HD1 LEU A 15 -1.380 97.165 -31.214 1.00 1.72 H ATOM 257 3HD1 LEU A 15 -1.540 95.427 -30.871 1.00 1.72 H ATOM 258 CD2 LEU A 15 -3.549 97.973 -29.716 1.00 1.72 C ATOM 259 1HD2 LEU A 15 -2.992 98.103 -28.788 1.00 1.72 H ATOM 260 2HD2 LEU A 15 -4.612 98.063 -29.491 1.00 1.72 H ATOM 261 3HD2 LEU A 15 -3.262 98.755 -30.417 1.00 1.72 H ATOM 262 N THR A 16 -6.080 95.239 -33.772 1.00 17.46 N ATOM 263 H THR A 16 -5.669 94.377 -33.422 1.00 17.46 H ATOM 264 CA THR A 16 -6.639 95.290 -35.126 1.00 17.46 C ATOM 265 HA THR A 16 -6.203 96.156 -35.623 1.00 17.46 H ATOM 266 C THR A 16 -8.151 95.495 -35.162 1.00 17.46 C ATOM 267 O THR A 16 -8.646 96.169 -36.059 1.00 17.46 O ATOM 268 CB THR A 16 -6.287 94.046 -35.980 1.00 17.46 C ATOM 269 HB THR A 16 -6.784 94.134 -36.946 1.00 17.46 H ATOM 270 OG1 THR A 16 -6.723 92.841 -35.344 1.00 17.46 O ATOM 271 HG1 THR A 16 -6.994 93.034 -34.435 1.00 17.46 H ATOM 272 CG2 THR A 16 -4.788 93.936 -36.215 1.00 17.46 C ATOM 273 1HG2 THR A 16 -4.590 93.055 -36.828 1.00 17.46 H ATOM 274 2HG2 THR A 16 -4.262 93.835 -35.268 1.00 17.46 H ATOM 275 3HG2 THR A 16 -4.432 94.823 -36.736 1.00 17.46 H ATOM 276 N THR A 17 -8.897 94.986 -34.190 1.00-13.45 N ATOM 277 H THR A 17 -8.481 94.414 -33.458 1.00-13.45 H ATOM 278 CA THR A 17 -10.344 95.224 -34.145 1.00-13.45 C ATOM 279 HA THR A 17 -10.738 95.256 -35.160 1.00-13.45 H ATOM 280 C THR A 17 -10.629 96.570 -33.486 1.00-13.45 C ATOM 281 O THR A 17 -11.706 97.156 -33.631 1.00-13.45 O ATOM 282 CB THR A 17 -11.070 94.114 -33.368 1.00-13.45 C ATOM 283 HB THR A 17 -12.129 94.357 -33.289 1.00-13.45 H ATOM 284 OG1 THR A 17 -10.499 93.992 -32.066 1.00-13.45 O ATOM 285 HG1 THR A 17 -10.902 93.239 -31.630 1.00-13.45 H ATOM 286 CG2 THR A 17 -10.918 92.763 -34.050 1.00-13.45 C ATOM 287 1HG2 THR A 17 -11.501 92.018 -33.509 1.00-13.45 H ATOM 288 2HG2 THR A 17 -9.871 92.455 -34.053 1.00-13.45 H ATOM 289 3HG2 THR A 17 -11.280 92.821 -35.076 1.00-13.45 H ATOM 290 N GLY A 18 -9.620 97.091 -32.807 1.00 -4.62 N ATOM 291 H GLY A 18 -8.790 96.532 -32.638 1.00 -4.62 H ATOM 292 CA GLY A 18 -9.672 98.422 -32.242 1.00 -4.62 C ATOM 293 1HA GLY A 18 -10.571 98.529 -31.637 1.00 -4.62 H ATOM 294 2HA GLY A 18 -8.799 98.571 -31.605 1.00 -4.62 H ATOM 295 C GLY A 18 -9.686 99.479 -33.324 1.00 -4.62 C ATOM 296 O GLY A 18 -10.315 100.507 -33.136 1.00 -4.62 O ATOM 297 N LEU A 19 -9.055 99.256 -34.469 1.00 23.46 N ATOM 298 H LEU A 19 -8.543 98.392 -34.604 1.00 23.46 H ATOM 299 CA LEU A 19 -9.081 100.270 -35.527 1.00 23.46 C ATOM 300 HA LEU A 19 -8.752 101.205 -35.074 1.00 23.46 H ATOM 301 C LEU A 19 -10.495 100.547 -36.077 1.00 23.46 C ATOM 302 O LEU A 19 -10.909 101.711 -36.090 1.00 23.46 O ATOM 303 CB LEU A 19 -8.089 99.925 -36.649 1.00 23.46 C ATOM 304 1HB LEU A 19 -8.389 98.982 -37.093 1.00 23.46 H ATOM 305 2HB LEU A 19 -8.175 100.691 -37.418 1.00 23.46 H ATOM 306 CG LEU A 19 -6.601 99.792 -36.279 1.00 23.46 C ATOM 307 HG LEU A 19 -6.505 99.049 -35.492 1.00 23.46 H ATOM 308 CD1 LEU A 19 -5.823 99.291 -37.494 1.00 23.46 C ATOM 309 1HD1 LEU A 19 -4.776 99.146 -37.223 1.00 23.46 H ATOM 310 2HD1 LEU A 19 -5.888 100.009 -38.312 1.00 23.46 H ATOM 311 3HD1 LEU A 19 -6.230 98.333 -37.826 1.00 23.46 H ATOM 312 CD2 LEU A 19 -5.993 101.107 -35.781 1.00 23.46 C ATOM 313 1HD2 LEU A 19 -4.932 100.965 -35.573 1.00 23.46 H ATOM 314 2HD2 LEU A 19 -6.480 101.412 -34.857 1.00 23.46 H ATOM 315 3HD2 LEU A 19 -6.116 101.890 -36.530 1.00 23.46 H ATOM 316 N PRO A 20 -11.282 99.522 -36.485 1.00 6.12 N ATOM 317 CA PRO A 20 -12.677 99.911 -36.743 1.00 6.12 C ATOM 318 HA PRO A 20 -12.709 100.646 -37.547 1.00 6.12 H ATOM 319 C PRO A 20 -13.452 100.445 -35.541 1.00 6.12 C ATOM 320 O PRO A 20 -14.304 101.303 -35.722 1.00 6.12 O ATOM 321 CB PRO A 20 -13.326 98.604 -37.207 1.00 6.12 C ATOM 322 1HB PRO A 20 -13.782 98.086 -36.361 1.00 6.12 H ATOM 323 2HB PRO A 20 -14.074 98.798 -37.974 1.00 6.12 H ATOM 324 CG PRO A 20 -12.212 97.815 -37.751 1.00 6.12 C ATOM 325 1HG PRO A 20 -12.460 96.754 -37.772 1.00 6.12 H ATOM 326 2HG PRO A 20 -11.955 98.173 -38.749 1.00 6.12 H ATOM 327 CD PRO A 20 -11.098 98.091 -36.797 1.00 6.12 C ATOM 328 1HD PRO A 20 -11.201 97.482 -35.903 1.00 6.12 H ATOM 329 2HD PRO A 20 -10.141 97.907 -37.276 1.00 6.12 H ATOM 330 N ALA A 21 -13.176 99.979 -34.328 1.00 -4.77 N ATOM 331 H ALA A 21 -12.472 99.259 -34.201 1.00 -4.77 H ATOM 332 CA ALA A 21 -13.894 100.481 -33.155 1.00 -4.77 C ATOM 333 HA ALA A 21 -14.963 100.363 -33.337 1.00 -4.77 H ATOM 334 C ALA A 21 -13.622 101.976 -32.942 1.00 -4.77 C ATOM 335 O ALA A 21 -14.532 102.747 -32.646 1.00 -4.77 O ATOM 336 CB ALA A 21 -13.517 99.670 -31.908 1.00 -4.77 C ATOM 337 1HB ALA A 21 -13.704 98.610 -32.085 1.00 -4.77 H ATOM 338 2HB ALA A 21 -14.121 100.005 -31.063 1.00 -4.77 H ATOM 339 3HB ALA A 21 -12.464 99.819 -31.668 1.00 -4.77 H ATOM 340 N LEU A 22 -12.391 102.409 -33.166 1.00 1.84 N ATOM 341 H LEU A 22 -11.659 101.734 -33.377 1.00 1.84 H ATOM 342 CA LEU A 22 -12.045 103.829 -33.104 1.00 1.84 C ATOM 343 HA LEU A 22 -12.331 104.226 -32.131 1.00 1.84 H ATOM 344 C LEU A 22 -12.803 104.613 -34.167 1.00 1.84 C ATOM 345 O LEU A 22 -13.256 105.718 -33.903 1.00 1.84 O ATOM 346 CB LEU A 22 -10.541 104.030 -33.301 1.00 1.84 C ATOM 347 1HB LEU A 22 -10.234 103.453 -34.174 1.00 1.84 H ATOM 348 2HB LEU A 22 -10.380 105.082 -33.529 1.00 1.84 H ATOM 349 CG LEU A 22 -9.614 103.663 -32.130 1.00 1.84 C ATOM 350 HG LEU A 22 -9.849 102.654 -31.800 1.00 1.84 H ATOM 351 CD1 LEU A 22 -8.162 103.690 -32.595 1.00 1.84 C ATOM 352 1HD1 LEU A 22 -7.509 103.388 -31.777 1.00 1.84 H ATOM 353 2HD1 LEU A 22 -7.890 104.690 -32.929 1.00 1.84 H ATOM 354 3HD1 LEU A 22 -8.030 102.982 -33.417 1.00 1.84 H ATOM 355 CD2 LEU A 22 -9.791 104.610 -30.939 1.00 1.84 C ATOM 356 1HD2 LEU A 22 -9.094 104.335 -30.145 1.00 1.84 H ATOM 357 2HD2 LEU A 22 -10.806 104.534 -30.548 1.00 1.84 H ATOM 358 3HD2 LEU A 22 -9.597 105.638 -31.243 1.00 1.84 H ATOM 359 N LYS A 23 -13.008 104.028 -35.340 1.00 -8.41 N ATOM 360 H LYS A 23 -12.621 103.103 -35.504 1.00 -8.41 H ATOM 361 CA LYS A 23 -13.799 104.673 -36.397 1.00 -8.41 C ATOM 362 HA LYS A 23 -13.502 105.719 -36.431 1.00 -8.41 H ATOM 363 C LYS A 23 -15.310 104.666 -36.151 1.00 -8.41 C ATOM 364 O LYS A 23 -16.073 105.250 -36.920 1.00 -8.41 O ATOM 365 CB LYS A 23 -13.488 104.027 -37.754 1.00 -8.41 C ATOM 366 1HB LYS A 23 -12.727 103.262 -37.590 1.00 -8.41 H ATOM 367 2HB LYS A 23 -14.384 103.528 -38.123 1.00 -8.41 H ATOM 368 CG LYS A 23 -12.963 104.988 -38.839 1.00 -8.41 C ATOM 369 1HG LYS A 23 -12.131 105.571 -38.436 1.00 -8.41 H ATOM 370 2HG LYS A 23 -12.573 104.377 -39.653 1.00 -8.41 H ATOM 371 CD LYS A 23 -14.016 105.943 -39.434 1.00 -8.41 C ATOM 372 1HD LYS A 23 -13.779 106.105 -40.486 1.00 -8.41 H ATOM 373 2HD LYS A 23 -14.999 105.470 -39.375 1.00 -8.41 H ATOM 374 CE LYS A 23 -14.064 107.314 -38.745 1.00 -8.41 C ATOM 375 1HE LYS A 23 -13.440 107.285 -37.848 1.00 -8.41 H ATOM 376 2HE LYS A 23 -13.659 108.073 -39.414 1.00 -8.41 H ATOM 377 NZ LYS A 23 -15.453 107.692 -38.329 1.00 -8.41 N ATOM 378 1HZ LYS A 23 -15.413 108.532 -37.750 1.00 -8.41 H ATOM 379 2HZ LYS A 23 -15.829 106.954 -37.735 1.00 -8.41 H ATOM 380 3HZ LYS A 23 -16.051 107.843 -39.122 1.00 -8.41 H ATOM 381 N LEU A 24 -15.747 104.022 -35.082 1.00 -7.77 N ATOM 382 H LEU A 24 -15.099 103.454 -34.552 1.00 -7.77 H ATOM 383 CA LEU A 24 -17.130 104.107 -34.612 1.00 -7.77 C ATOM 384 HA LEU A 24 -17.754 104.570 -35.373 1.00 -7.77 H ATOM 385 C LEU A 24 -17.186 104.985 -33.359 1.00 -7.77 C ATOM 386 O LEU A 24 -18.256 105.260 -32.827 1.00 -7.77 O ATOM 387 CB LEU A 24 -17.676 102.705 -34.307 1.00 -7.77 C ATOM 388 1HB LEU A 24 -17.047 102.266 -33.531 1.00 -7.77 H ATOM 389 2HB LEU A 24 -18.678 102.817 -33.892 1.00 -7.77 H ATOM 390 CG LEU A 24 -17.762 101.713 -35.479 1.00 -7.77 C ATOM 391 HG LEU A 24 -16.799 101.666 -35.979 1.00 -7.77 H ATOM 392 CD1 LEU A 24 -18.083 100.316 -34.956 1.00 -7.77 C ATOM 393 1HD1 LEU A 24 -18.113 99.609 -35.786 1.00 -7.77 H ATOM 394 2HD1 LEU A 24 -19.046 100.311 -34.443 1.00 -7.77 H ATOM 395 3HD1 LEU A 24 -17.306 99.996 -34.262 1.00 -7.77 H ATOM 396 CD2 LEU A 24 -18.810 102.133 -36.506 1.00 -7.77 C ATOM 397 1HD2 LEU A 24 -18.850 101.399 -37.311 1.00 -7.77 H ATOM 398 2HD2 LEU A 24 -18.537 103.098 -36.934 1.00 -7.77 H ATOM 399 3HD2 LEU A 24 -19.791 102.212 -36.035 1.00 -7.77 H ATOM 400 N THR A 25 -16.031 105.439 -32.892 1.00 7.87 N ATOM 401 H THR A 25 -15.172 105.195 -33.371 1.00 7.87 H ATOM 402 CA THR A 25 -15.947 106.312 -31.719 1.00 7.87 C ATOM 403 HA THR A 25 -16.820 106.158 -31.091 1.00 7.87 H ATOM 404 C THR A 25 -15.920 107.768 -32.177 1.00 7.87 C ATOM 405 O THR A 25 -16.514 108.646 -31.532 1.00 7.87 O ATOM 406 CB THR A 25 -14.676 105.994 -30.885 1.00 7.87 C ATOM 407 HB THR A 25 -13.785 106.224 -31.467 1.00 7.87 H ATOM 408 OG1 THR A 25 -14.670 104.608 -30.535 1.00 7.87 O ATOM 409 HG1 THR A 25 -14.763 104.077 -31.344 1.00 7.87 H ATOM 410 CG2 THR A 25 -14.625 106.758 -29.571 1.00 7.87 C ATOM 411 1HG2 THR A 25 -13.774 106.400 -28.991 1.00 7.87 H ATOM 412 2HG2 THR A 25 -15.542 106.578 -29.010 1.00 7.87 H ATOM 413 3HG2 THR A 25 -14.502 107.821 -29.766 1.00 7.87 H ATOM 414 N LYS A 26 -15.242 108.032 -33.287 1.00 18.36 N ATOM 415 H LYS A 26 -14.773 107.277 -33.796 1.00 18.36 H ATOM 416 CA LYS A 26 -15.171 109.344 -33.934 1.00 18.36 C ATOM 417 HA LYS A 26 -16.091 109.909 -33.796 1.00 18.36 H ATOM 418 C LYS A 26 -15.051 108.955 -35.388 1.00 18.36 C ATOM 419 O LYS A 26 -15.288 109.754 -36.310 1.00 18.36 O ATOM 420 OXT LYS A 26 -14.713 107.772 -35.571 1.00 18.36 O ATOM 421 CB LYS A 26 -13.925 110.142 -33.518 1.00 18.36 C ATOM 422 1HB LYS A 26 -13.057 109.500 -33.654 1.00 18.36 H ATOM 423 2HB LYS A 26 -13.824 111.001 -34.182 1.00 18.36 H ATOM 424 CG LYS A 26 -13.937 110.647 -32.079 1.00 18.36 C ATOM 425 1HG LYS A 26 -14.125 109.804 -31.420 1.00 18.36 H ATOM 426 2HG LYS A 26 -12.960 111.063 -31.831 1.00 18.36 H ATOM 427 CD LYS A 26 -15.002 111.735 -31.854 1.00 18.36 C ATOM 428 1HD LYS A 26 -14.679 112.649 -32.356 1.00 18.36 H ATOM 429 2HD LYS A 26 -15.952 111.424 -32.285 1.00 18.36 H ATOM 430 CE LYS A 26 -15.228 112.002 -30.375 1.00 18.36 C ATOM 431 1HE LYS A 26 -14.268 112.163 -29.881 1.00 18.36 H ATOM 432 2HE LYS A 26 -15.846 112.894 -30.263 1.00 18.36 H ATOM 433 NZ LYS A 26 -15.941 110.822 -29.767 1.00 18.36 N ATOM 434 1HZ LYS A 26 -16.062 110.945 -28.775 1.00 18.36 H ATOM 435 2HZ LYS A 26 -15.414 109.976 -29.951 1.00 18.36 H ATOM 436 3HZ LYS A 26 -16.848 110.703 -30.206 1.00 18.36 H TER 437 LYS A 26 END
SEQUENCE	KLFKKIGIGAVLKVLTTGLPALKLTK
HELICITY	96.20	INSTAB. INDEX	-10.74	FLEXIBILITY	10.95
a HYD. MOM.	19.46	b HYD. MOM.	15.63	c HYD. MOM	4.27
a MEAN HYD. MOM.	0.75	b MEAN HYD. MOM.	0.60	c MEAN HYD. MOM.	0.16
CHARGE pH5	6.00	CHARGE pH7	6.00	CHARGE pH9	5.65
Δ CHARGE pH5-pH9	0.36	ISOELECTRIC POINT	10.70	BOMAN INDEX	-0.61
ΔG	10	CPP	0,06	MLP	-13,23
MOLECULAR VOLUME		POLARITY
MIC E. coli	2	MIC P. aeruginosa	2	MIC S. typhimurium	14
MIC S. aureus	32	MIC M. luteus		MIC B. subtilis	32
MIC C. albicans		OTHER
MIC OTHER gram+	Staphylococcus epidermidis = 16
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	1998
TITLE PAPER	Biological Properties of Structurally Related a-Helical Cationic Antimicrobial Peptides