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ID	1149	NAME	Pexiganan   Blast NCBI-PROT
LENGTH	22	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\GIGKFLKKAKKFGKAFVKILKK.pdb REMARK YASARA Written on: Wed May 14 12:42:59 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 394 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 1.75 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 -0.002443 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.001048 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -0.000350 0.998522 0.000698 0.00000 REMARK 290 SMTRY2 3 -1.001480 0.000350 -0.001748 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 0.000350 -0.998522 0.001745 0.00000 REMARK 290 SMTRY2 4 1.001480 -0.000350 0.000700 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 -1.000000 0.000698 0.000000 26.66274 REMARK 290 SMTRY2 5 0.000000 1.000000 -0.001048 0.01169 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 22.31248 REMARK 290 SMTRY1 6 1.000000 -0.000698 0.002444 26.66274 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.01169 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 22.31248 REMARK 290 SMTRY1 7 -0.000350 -0.998522 -0.000699 26.66274 REMARK 290 SMTRY2 7 -1.001480 0.000350 -0.000700 0.01169 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 22.31248 REMARK 290 SMTRY1 8 0.000350 0.998522 -0.001745 26.66274 REMARK 290 SMTRY2 8 1.001480 -0.000350 0.001748 0.01169 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 22.31248 REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 26.68116 REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 26.73729 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 14.87499 REMARK 290 SMTRY1 10 -1.000000 0.000000 -0.002443 26.68116 REMARK 290 SMTRY2 10 0.000000 -1.000000 0.001048 26.73729 REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 14.87499 REMARK 290 SMTRY1 11 -0.000350 0.998522 0.000698 26.68116 REMARK 290 SMTRY2 11 -1.001480 0.000350 -0.001748 26.73729 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 14.87499 REMARK 290 SMTRY1 12 0.000350 -0.998522 0.001745 26.68116 REMARK 290 SMTRY2 12 1.001480 -0.000350 0.000700 26.73729 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 14.87499 REMARK 290 SMTRY1 13 -1.000000 0.000698 0.000000 0.00024 REMARK 290 SMTRY2 13 0.000000 1.000000 -0.001048 26.73340 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 7.43749 REMARK 290 SMTRY1 14 1.000000 -0.000698 0.002444 0.00024 REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 26.73340 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 7.43749 REMARK 290 SMTRY1 15 -0.000350 -0.998522 -0.000699 0.00024 REMARK 290 SMTRY2 15 -1.001480 0.000350 -0.000700 26.73340 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 7.43749 REMARK 290 SMTRY1 16 0.000350 0.998522 -0.001745 0.00024 REMARK 290 SMTRY2 16 1.001480 -0.000350 0.001748 26.73340 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 7.43749 COMPND MOL_ID: 1; COMPND 2 MOLECULE: MAGAININ 2 DERIVATIVE; COMPND 3 CHAIN: A; SEQRES 1 A 22 GLY ILE GLY LYS PHE LEU LYS LYS ALA LYS LYS PHE GLY SEQRES 2 A 22 LYS ALA PHE VAL LYS ILE LEU LYS LYS CRYST1 53.380 53.459 29.750 89.97 90.07 89.98 I -4 2 D 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 0.018734 -0.000007 0.000022 0.00000 SCALE2 0.000000 0.018706 -0.000009 0.00000 SCALE3 0.000000 0.000000 0.033613 0.00000 ATOM 1 N GLY A 1 32.571 -6.332 -27.899 1.00-22.15 N ATOM 2 1H GLY A 1 32.151 -5.469 -27.583 1.00-22.15 H ATOM 3 2H GLY A 1 33.563 -6.196 -28.032 1.00-22.15 H ATOM 4 3H GLY A 1 32.425 -7.050 -27.204 1.00-22.15 H ATOM 5 CA GLY A 1 31.951 -6.751 -29.186 1.00-22.15 C ATOM 6 1HA GLY A 1 30.886 -6.915 -29.027 1.00-22.15 H ATOM 7 2HA GLY A 1 32.087 -5.964 -29.926 1.00-22.15 H ATOM 8 C GLY A 1 32.577 -8.025 -29.696 1.00-22.15 C ATOM 9 O GLY A 1 33.774 -8.205 -29.500 1.00-22.15 O ATOM 10 N ILE A 2 31.792 -8.913 -30.296 1.00-26.19 N ATOM 11 H ILE A 2 30.850 -8.667 -30.567 1.00-26.19 H ATOM 12 CA ILE A 2 32.186 -10.317 -30.465 1.00-26.19 C ATOM 13 HA ILE A 2 32.432 -10.712 -29.478 1.00-26.19 H ATOM 14 C ILE A 2 33.432 -10.516 -31.331 1.00-26.19 C ATOM 15 O ILE A 2 34.354 -11.190 -30.902 1.00-26.19 O ATOM 16 CB ILE A 2 30.996 -11.167 -31.034 1.00-26.19 C ATOM 17 HB ILE A 2 30.741 -10.786 -32.024 1.00-26.19 H ATOM 18 CG1 ILE A 2 29.756 -11.024 -30.121 1.00-26.19 C ATOM 19 1HG1 ILE A 2 29.979 -11.487 -29.159 1.00-26.19 H ATOM 20 2HG1 ILE A 2 29.554 -9.970 -29.944 1.00-26.19 H ATOM 21 CG2 ILE A 2 31.389 -12.660 -31.169 1.00-26.19 C ATOM 22 1HG2 ILE A 2 30.563 -13.239 -31.585 1.00-26.19 H ATOM 23 2HG2 ILE A 2 31.656 -13.077 -30.195 1.00-26.19 H ATOM 24 3HG2 ILE A 2 32.236 -12.773 -31.845 1.00-26.19 H ATOM 25 CD1 ILE A 2 28.453 -11.638 -30.663 1.00-26.19 C ATOM 26 1HD1 ILE A 2 27.628 -11.378 -29.999 1.00-26.19 H ATOM 27 2HD1 ILE A 2 28.533 -12.725 -30.704 1.00-26.19 H ATOM 28 3HD1 ILE A 2 28.241 -11.251 -31.660 1.00-26.19 H ATOM 29 N GLY A 3 33.516 -9.913 -32.511 1.00 -4.85 N ATOM 30 H GLY A 3 32.763 -9.333 -32.845 1.00 -4.85 H ATOM 31 CA GLY A 3 34.667 -10.163 -33.372 1.00 -4.85 C ATOM 32 1HA GLY A 3 34.676 -11.226 -33.618 1.00 -4.85 H ATOM 33 2HA GLY A 3 34.544 -9.605 -34.300 1.00 -4.85 H ATOM 34 C GLY A 3 36.025 -9.827 -32.778 1.00 -4.85 C ATOM 35 O GLY A 3 36.984 -10.584 -32.925 1.00 -4.85 O ATOM 36 N LYS A 4 36.125 -8.719 -32.052 1.00-13.25 N ATOM 37 H LYS A 4 35.322 -8.126 -31.931 1.00-13.25 H ATOM 38 CA LYS A 4 37.393 -8.385 -31.396 1.00-13.25 C ATOM 39 HA LYS A 4 38.211 -8.550 -32.099 1.00-13.25 H ATOM 40 C LYS A 4 37.639 -9.312 -30.215 1.00-13.25 C ATOM 41 O LYS A 4 38.777 -9.676 -29.952 1.00-13.25 O ATOM 42 CB LYS A 4 37.452 -6.928 -30.920 1.00-13.25 C ATOM 43 1HB LYS A 4 36.572 -6.705 -30.316 1.00-13.25 H ATOM 44 2HB LYS A 4 38.335 -6.828 -30.288 1.00-13.25 H ATOM 45 CG LYS A 4 37.574 -5.905 -32.051 1.00-13.25 C ATOM 46 1HG LYS A 4 38.392 -6.209 -32.706 1.00-13.25 H ATOM 47 2HG LYS A 4 36.649 -5.882 -32.627 1.00-13.25 H ATOM 48 CD LYS A 4 37.883 -4.505 -31.510 1.00-13.25 C ATOM 49 1HD LYS A 4 37.072 -4.184 -30.855 1.00-13.25 H ATOM 50 2HD LYS A 4 38.807 -4.551 -30.932 1.00-13.25 H ATOM 51 CE LYS A 4 38.060 -3.486 -32.643 1.00-13.25 C ATOM 52 1HE LYS A 4 38.827 -3.856 -33.328 1.00-13.25 H ATOM 53 2HE LYS A 4 37.121 -3.400 -33.195 1.00-13.25 H ATOM 54 NZ LYS A 4 38.473 -2.123 -32.141 1.00-13.25 N ATOM 55 1HZ LYS A 4 38.584 -1.487 -32.921 1.00-13.25 H ATOM 56 2HZ LYS A 4 39.353 -2.188 -31.646 1.00-13.25 H ATOM 57 3HZ LYS A 4 37.770 -1.753 -31.516 1.00-13.25 H ATOM 58 N PHE A 5 36.586 -9.722 -29.524 1.00 -3.47 N ATOM 59 H PHE A 5 35.655 -9.434 -29.790 1.00 -3.47 H ATOM 60 CA PHE A 5 36.743 -10.612 -28.377 1.00 -3.47 C ATOM 61 HA PHE A 5 37.508 -10.200 -27.722 1.00 -3.47 H ATOM 62 C PHE A 5 37.196 -12.001 -28.820 1.00 -3.47 C ATOM 63 O PHE A 5 38.006 -12.630 -28.152 1.00 -3.47 O ATOM 64 CB PHE A 5 35.440 -10.712 -27.584 1.00 -3.47 C ATOM 65 1HB PHE A 5 35.053 -9.706 -27.428 1.00 -3.47 H ATOM 66 2HB PHE A 5 34.709 -11.276 -28.164 1.00 -3.47 H ATOM 67 CG PHE A 5 35.609 -11.362 -26.237 1.00 -3.47 C ATOM 68 CD1 PHE A 5 35.925 -10.581 -25.109 1.00 -3.47 C ATOM 69 HD1 PHE A 5 36.049 -9.513 -25.212 1.00 -3.47 H ATOM 70 CD2 PHE A 5 35.462 -12.753 -26.086 1.00 -3.47 C ATOM 71 HD2 PHE A 5 35.229 -13.368 -26.944 1.00 -3.47 H ATOM 72 CE1 PHE A 5 36.070 -11.176 -23.829 1.00 -3.47 C ATOM 73 HE1 PHE A 5 36.283 -10.560 -22.967 1.00 -3.47 H ATOM 74 CE2 PHE A 5 35.615 -13.366 -24.816 1.00 -3.47 C ATOM 75 HE2 PHE A 5 35.491 -14.435 -24.715 1.00 -3.47 H ATOM 76 CZ PHE A 5 35.909 -12.574 -23.683 1.00 -3.47 C ATOM 77 HZ PHE A 5 35.995 -13.035 -22.709 1.00 -3.47 H ATOM 78 N LEU A 6 36.737 -12.465 -29.974 1.00-17.06 N ATOM 79 H LEU A 6 36.029 -11.943 -30.484 1.00-17.06 H ATOM 80 CA LEU A 6 37.213 -13.738 -30.514 1.00-17.06 C ATOM 81 HA LEU A 6 37.100 -14.507 -29.750 1.00-17.06 H ATOM 82 C LEU A 6 38.690 -13.659 -30.871 1.00-17.06 C ATOM 83 O LEU A 6 39.441 -14.590 -30.597 1.00-17.06 O ATOM 84 CB LEU A 6 36.420 -14.140 -31.762 1.00-17.06 C ATOM 85 1HB LEU A 6 36.457 -13.307 -32.463 1.00-17.06 H ATOM 86 2HB LEU A 6 36.937 -14.981 -32.223 1.00-17.06 H ATOM 87 CG LEU A 6 34.949 -14.548 -31.582 1.00-17.06 C ATOM 88 HG LEU A 6 34.424 -13.750 -31.065 1.00-17.06 H ATOM 89 CD1 LEU A 6 34.306 -14.735 -32.954 1.00-17.06 C ATOM 90 1HD1 LEU A 6 33.253 -14.993 -32.832 1.00-17.06 H ATOM 91 2HD1 LEU A 6 34.804 -15.532 -33.507 1.00-17.06 H ATOM 92 3HD1 LEU A 6 34.367 -13.806 -33.522 1.00-17.06 H ATOM 93 CD2 LEU A 6 34.790 -15.829 -30.764 1.00-17.06 C ATOM 94 1HD2 LEU A 6 33.733 -16.090 -30.694 1.00-17.06 H ATOM 95 2HD2 LEU A 6 35.165 -15.676 -29.752 1.00-17.06 H ATOM 96 3HD2 LEU A 6 35.330 -16.652 -31.231 1.00-17.06 H ATOM 97 N LYS A 7 39.143 -12.554 -31.449 1.00-19.35 N ATOM 98 H LYS A 7 38.499 -11.804 -31.681 1.00-19.35 H ATOM 99 CA LYS A 7 40.573 -12.417 -31.751 1.00-19.35 C ATOM 100 HA LYS A 7 40.908 -13.316 -32.266 1.00-19.35 H ATOM 101 C LYS A 7 41.387 -12.317 -30.466 1.00-19.35 C ATOM 102 O LYS A 7 42.454 -12.919 -30.363 1.00-19.35 O ATOM 103 CB LYS A 7 40.842 -11.212 -32.654 1.00-19.35 C ATOM 104 1HB LYS A 7 40.402 -10.319 -32.212 1.00-19.35 H ATOM 105 2HB LYS A 7 41.922 -11.074 -32.719 1.00-19.35 H ATOM 106 CG LYS A 7 40.301 -11.405 -34.068 1.00-19.35 C ATOM 107 1HG LYS A 7 40.694 -12.341 -34.466 1.00-19.35 H ATOM 108 2HG LYS A 7 39.214 -11.466 -34.039 1.00-19.35 H ATOM 109 CD LYS A 7 40.717 -10.270 -34.996 1.00-19.35 C ATOM 110 1HD LYS A 7 40.332 -9.326 -34.609 1.00-19.35 H ATOM 111 2HD LYS A 7 41.806 -10.227 -35.033 1.00-19.35 H ATOM 112 CE LYS A 7 40.178 -10.508 -36.408 1.00-19.35 C ATOM 113 1HE LYS A 7 40.500 -11.497 -36.743 1.00-19.35 H ATOM 114 2HE LYS A 7 39.085 -10.495 -36.376 1.00-19.35 H ATOM 115 NZ LYS A 7 40.664 -9.477 -37.394 1.00-19.35 N ATOM 116 1HZ LYS A 7 40.289 -9.676 -38.313 1.00-19.35 H ATOM 117 2HZ LYS A 7 41.675 -9.497 -37.443 1.00-19.35 H ATOM 118 3HZ LYS A 7 40.365 -8.556 -37.108 1.00-19.35 H ATOM 119 N LYS A 8 40.858 -11.624 -29.468 1.00 15.70 N ATOM 120 H LYS A 8 39.992 -11.114 -29.630 1.00 15.70 H ATOM 121 CA LYS A 8 41.468 -11.565 -28.137 1.00 15.70 C ATOM 122 HA LYS A 8 42.472 -11.157 -28.225 1.00 15.70 H ATOM 123 C LYS A 8 41.592 -12.972 -27.556 1.00 15.70 C ATOM 124 O LYS A 8 42.649 -13.337 -27.044 1.00 15.70 O ATOM 125 CB LYS A 8 40.628 -10.629 -27.252 1.00 15.70 C ATOM 126 1HB LYS A 8 40.727 -9.619 -27.651 1.00 15.70 H ATOM 127 2HB LYS A 8 39.587 -10.906 -27.351 1.00 15.70 H ATOM 128 CG LYS A 8 40.950 -10.587 -25.761 1.00 15.70 C ATOM 129 1HG LYS A 8 41.981 -10.890 -25.601 1.00 15.70 H ATOM 130 2HG LYS A 8 40.825 -9.562 -25.412 1.00 15.70 H ATOM 131 CD LYS A 8 40.009 -11.495 -24.959 1.00 15.70 C ATOM 132 1HD LYS A 8 38.979 -11.204 -25.168 1.00 15.70 H ATOM 133 2HD LYS A 8 40.148 -12.529 -25.268 1.00 15.70 H ATOM 134 CE LYS A 8 40.257 -11.396 -23.460 1.00 15.70 C ATOM 135 1HE LYS A 8 41.292 -11.674 -23.248 1.00 15.70 H ATOM 136 2HE LYS A 8 40.099 -10.362 -23.143 1.00 15.70 H ATOM 137 NZ LYS A 8 39.326 -12.301 -22.698 1.00 15.70 N ATOM 138 1HZ LYS A 8 39.478 -12.194 -21.704 1.00 15.70 H ATOM 139 2HZ LYS A 8 39.493 -13.264 -22.956 1.00 15.70 H ATOM 140 3HZ LYS A 8 38.365 -12.065 -22.915 1.00 15.70 H ATOM 141 N ALA A 9 40.546 -13.778 -27.646 1.00 1.48 N ATOM 142 H ALA A 9 39.683 -13.443 -28.068 1.00 1.48 H ATOM 143 CA ALA A 9 40.593 -15.129 -27.103 1.00 1.48 C ATOM 144 HA ALA A 9 40.889 -15.070 -26.056 1.00 1.48 H ATOM 145 C ALA A 9 41.641 -15.965 -27.839 1.00 1.48 C ATOM 146 O ALA A 9 42.444 -16.653 -27.219 1.00 1.48 O ATOM 147 CB ALA A 9 39.202 -15.777 -27.194 1.00 1.48 C ATOM 148 1HB ALA A 9 38.475 -15.171 -26.650 1.00 1.48 H ATOM 149 2HB ALA A 9 39.235 -16.775 -26.753 1.00 1.48 H ATOM 150 3HB ALA A 9 38.889 -15.856 -28.236 1.00 1.48 H ATOM 151 N LYS A 10 41.667 -15.876 -29.161 1.00 -3.63 N ATOM 152 H LYS A 10 40.987 -15.285 -29.635 1.00 -3.63 H ATOM 153 CA LYS A 10 42.630 -16.643 -29.956 1.00 -3.63 C ATOM 154 HA LYS A 10 42.543 -17.694 -29.679 1.00 -3.63 H ATOM 155 C LYS A 10 44.075 -16.246 -29.688 1.00 -3.63 C ATOM 156 O LYS A 10 44.925 -17.126 -29.565 1.00 -3.63 O ATOM 157 CB LYS A 10 42.310 -16.502 -31.445 1.00 -3.63 C ATOM 158 1HB LYS A 10 42.227 -15.441 -31.682 1.00 -3.63 H ATOM 159 2HB LYS A 10 43.130 -16.925 -32.027 1.00 -3.63 H ATOM 160 CG LYS A 10 41.016 -17.211 -31.842 1.00 -3.63 C ATOM 161 1HG LYS A 10 41.143 -18.285 -31.708 1.00 -3.63 H ATOM 162 2HG LYS A 10 40.209 -16.877 -31.197 1.00 -3.63 H ATOM 163 CD LYS A 10 40.629 -16.912 -33.285 1.00 -3.63 C ATOM 164 1HD LYS A 10 40.610 -15.830 -33.422 1.00 -3.63 H ATOM 165 2HD LYS A 10 41.374 -17.339 -33.958 1.00 -3.63 H ATOM 166 CE LYS A 10 39.243 -17.466 -33.623 1.00 -3.63 C ATOM 167 1HE LYS A 10 38.515 -17.017 -32.942 1.00 -3.63 H ATOM 168 2HE LYS A 10 38.987 -17.164 -34.641 1.00 -3.63 H ATOM 169 NZ LYS A 10 39.154 -18.967 -33.521 1.00 -3.63 N ATOM 170 1HZ LYS A 10 38.219 -19.273 -33.756 1.00 -3.63 H ATOM 171 2HZ LYS A 10 39.368 -19.260 -32.577 1.00 -3.63 H ATOM 172 3HZ LYS A 10 39.811 -19.395 -34.159 1.00 -3.63 H ATOM 173 N LYS A 11 44.381 -14.960 -29.555 1.00 20.29 N ATOM 174 H LYS A 11 43.664 -14.246 -29.669 1.00 20.29 H ATOM 175 CA LYS A 11 45.771 -14.578 -29.283 1.00 20.29 C ATOM 176 HA LYS A 11 46.399 -15.121 -29.992 1.00 20.29 H ATOM 177 C LYS A 11 46.215 -15.021 -27.897 1.00 20.29 C ATOM 178 O LYS A 11 47.369 -15.390 -27.724 1.00 20.29 O ATOM 179 CB LYS A 11 46.050 -13.080 -29.489 1.00 20.29 C ATOM 180 1HB LYS A 11 47.130 -12.948 -29.425 1.00 20.29 H ATOM 181 2HB LYS A 11 45.736 -12.803 -30.496 1.00 20.29 H ATOM 182 CG LYS A 11 45.385 -12.127 -28.491 1.00 20.29 C ATOM 183 1HG LYS A 11 44.313 -12.240 -28.588 1.00 20.29 H ATOM 184 2HG LYS A 11 45.670 -12.403 -27.478 1.00 20.29 H ATOM 185 CD LYS A 11 45.730 -10.654 -28.707 1.00 20.29 C ATOM 186 1HD LYS A 11 45.524 -10.394 -29.747 1.00 20.29 H ATOM 187 2HD LYS A 11 45.081 -10.053 -28.069 1.00 20.29 H ATOM 188 CE LYS A 11 47.192 -10.308 -28.382 1.00 20.29 C ATOM 189 1HE LYS A 11 47.848 -10.875 -29.046 1.00 20.29 H ATOM 190 2HE LYS A 11 47.347 -9.246 -28.585 1.00 20.29 H ATOM 191 NZ LYS A 11 47.570 -10.594 -26.950 1.00 20.29 N ATOM 192 1HZ LYS A 11 48.530 -10.319 -26.785 1.00 20.29 H ATOM 193 2HZ LYS A 11 47.473 -11.582 -26.757 1.00 20.29 H ATOM 194 3HZ LYS A 11 46.966 -10.078 -26.323 1.00 20.29 H ATOM 195 N PHE A 12 45.337 -15.017 -26.905 1.00 -4.49 N ATOM 196 H PHE A 12 44.388 -14.691 -27.055 1.00 -4.49 H ATOM 197 CA PHE A 12 45.748 -15.472 -25.579 1.00 -4.49 C ATOM 198 HA PHE A 12 46.772 -15.146 -25.409 1.00 -4.49 H ATOM 199 C PHE A 12 45.773 -16.994 -25.496 1.00 -4.49 C ATOM 200 O PHE A 12 46.624 -17.548 -24.811 1.00 -4.49 O ATOM 201 CB PHE A 12 44.895 -14.843 -24.478 1.00 -4.49 C ATOM 202 1HB PHE A 12 43.839 -14.958 -24.723 1.00 -4.49 H ATOM 203 2HB PHE A 12 45.096 -15.377 -23.550 1.00 -4.49 H ATOM 204 CG PHE A 12 45.217 -13.386 -24.247 1.00 -4.49 C ATOM 205 CD1 PHE A 12 44.272 -12.381 -24.507 1.00 -4.49 C ATOM 206 HD1 PHE A 12 43.284 -12.652 -24.839 1.00 -4.49 H ATOM 207 CD2 PHE A 12 46.491 -13.015 -23.773 1.00 -4.49 C ATOM 208 HD2 PHE A 12 47.224 -13.778 -23.544 1.00 -4.49 H ATOM 209 CE1 PHE A 12 44.597 -11.009 -24.327 1.00 -4.49 C ATOM 210 HE1 PHE A 12 43.865 -10.243 -24.536 1.00 -4.49 H ATOM 211 CE2 PHE A 12 46.828 -11.652 -23.577 1.00 -4.49 C ATOM 212 HE2 PHE A 12 47.805 -11.386 -23.196 1.00 -4.49 H ATOM 213 CZ PHE A 12 45.878 -10.646 -23.857 1.00 -4.49 C ATOM 214 HZ PHE A 12 46.125 -9.606 -23.697 1.00 -4.49 H ATOM 215 N GLY A 13 44.948 -17.675 -26.278 1.00 -1.69 N ATOM 216 H GLY A 13 44.208 -17.201 -26.789 1.00 -1.69 H ATOM 217 CA GLY A 13 45.079 -19.117 -26.409 1.00 -1.69 C ATOM 218 1HA GLY A 13 45.016 -19.572 -25.420 1.00 -1.69 H ATOM 219 2HA GLY A 13 44.275 -19.503 -27.033 1.00 -1.69 H ATOM 220 C GLY A 13 46.415 -19.483 -27.026 1.00 -1.69 C ATOM 221 O GLY A 13 47.086 -20.404 -26.572 1.00 -1.69 O ATOM 222 N LYS A 14 46.867 -18.734 -28.024 1.00 13.14 N ATOM 223 H LYS A 14 46.285 -17.994 -28.409 1.00 13.14 H ATOM 224 CA LYS A 14 48.194 -18.980 -28.591 1.00 13.14 C ATOM 225 HA LYS A 14 48.313 -20.053 -28.649 1.00 13.14 H ATOM 226 C LYS A 14 49.342 -18.502 -27.704 1.00 13.14 C ATOM 227 O LYS A 14 50.442 -19.024 -27.808 1.00 13.14 O ATOM 228 CB LYS A 14 48.312 -18.440 -30.022 1.00 13.14 C ATOM 229 1HB LYS A 14 47.905 -17.429 -30.048 1.00 13.14 H ATOM 230 2HB LYS A 14 49.367 -18.393 -30.294 1.00 13.14 H ATOM 231 CG LYS A 14 47.593 -19.320 -31.069 1.00 13.14 C ATOM 232 1HG LYS A 14 46.580 -19.525 -30.723 1.00 13.14 H ATOM 233 2HG LYS A 14 47.536 -18.776 -32.011 1.00 13.14 H ATOM 234 CD LYS A 14 48.333 -20.653 -31.325 1.00 13.14 C ATOM 235 1HD LYS A 14 49.324 -20.431 -31.722 1.00 13.14 H ATOM 236 2HD LYS A 14 48.452 -21.188 -30.388 1.00 13.14 H ATOM 237 CE LYS A 14 47.592 -21.570 -32.308 1.00 13.14 C ATOM 238 1HE LYS A 14 46.600 -21.783 -31.905 1.00 13.14 H ATOM 239 2HE LYS A 14 47.476 -21.049 -33.260 1.00 13.14 H ATOM 240 NZ LYS A 14 48.312 -22.879 -32.547 1.00 13.14 N ATOM 241 1HZ LYS A 14 47.741 -23.515 -33.091 1.00 13.14 H ATOM 242 2HZ LYS A 14 48.510 -23.357 -31.667 1.00 13.14 H ATOM 243 3HZ LYS A 14 49.188 -22.729 -33.023 1.00 13.14 H ATOM 244 N ALA A 15 49.096 -17.606 -26.762 1.00 0.37 N ATOM 245 H ALA A 15 48.208 -17.127 -26.740 1.00 0.37 H ATOM 246 CA ALA A 15 50.102 -17.314 -25.741 1.00 0.37 C ATOM 247 HA ALA A 15 51.067 -17.183 -26.232 1.00 0.37 H ATOM 248 C ALA A 15 50.215 -18.499 -24.765 1.00 0.37 C ATOM 249 O ALA A 15 51.304 -18.862 -24.326 1.00 0.37 O ATOM 250 CB ALA A 15 49.742 -16.019 -24.997 1.00 0.37 C ATOM 251 1HB ALA A 15 49.631 -15.204 -25.712 1.00 0.37 H ATOM 252 2HB ALA A 15 50.539 -15.774 -24.294 1.00 0.37 H ATOM 253 3HB ALA A 15 48.812 -16.151 -24.444 1.00 0.37 H ATOM 254 N PHE A 16 49.089 -19.120 -24.443 1.00-10.99 N ATOM 255 H PHE A 16 48.205 -18.763 -24.798 1.00-10.99 H ATOM 256 CA PHE A 16 49.058 -20.289 -23.559 1.00-10.99 C ATOM 257 HA PHE A 16 49.635 -20.071 -22.660 1.00-10.99 H ATOM 258 C PHE A 16 49.677 -21.512 -24.239 1.00-10.99 C ATOM 259 O PHE A 16 50.213 -22.420 -23.601 1.00-10.99 O ATOM 260 CB PHE A 16 47.606 -20.564 -23.156 1.00-10.99 C ATOM 261 1HB PHE A 16 47.180 -19.643 -22.757 1.00-10.99 H ATOM 262 2HB PHE A 16 47.038 -20.848 -24.038 1.00-10.99 H ATOM 263 CG PHE A 16 47.456 -21.643 -22.122 1.00-10.99 C ATOM 264 CD1 PHE A 16 47.663 -21.361 -20.761 1.00-10.99 C ATOM 265 HD1 PHE A 16 47.941 -20.362 -20.454 1.00-10.99 H ATOM 266 CD2 PHE A 16 47.089 -22.944 -22.505 1.00-10.99 C ATOM 267 HD2 PHE A 16 46.921 -23.166 -23.548 1.00-10.99 H ATOM 268 CE1 PHE A 16 47.500 -22.370 -19.780 1.00-10.99 C ATOM 269 HE1 PHE A 16 47.653 -22.140 -18.735 1.00-10.99 H ATOM 270 CE2 PHE A 16 46.936 -23.969 -21.539 1.00-10.99 C ATOM 271 HE2 PHE A 16 46.654 -24.965 -21.843 1.00-10.99 H ATOM 272 CZ PHE A 16 47.142 -23.680 -20.172 1.00-10.99 C ATOM 273 HZ PHE A 16 47.021 -24.455 -19.429 1.00-10.99 H ATOM 274 N VAL A 17 49.696 -21.495 -25.562 1.00 6.67 N ATOM 275 H VAL A 17 49.195 -20.758 -26.044 1.00 6.67 H ATOM 276 CA VAL A 17 50.386 -22.501 -26.371 1.00 6.67 C ATOM 277 HA VAL A 17 50.034 -23.466 -26.046 1.00 6.67 H ATOM 278 C VAL A 17 51.898 -22.546 -26.148 1.00 6.67 C ATOM 279 O VAL A 17 52.519 -23.572 -26.412 1.00 6.67 O ATOM 280 CB VAL A 17 49.928 -22.355 -27.844 1.00 6.67 C ATOM 281 HB VAL A 17 49.700 -21.316 -28.000 1.00 6.67 H ATOM 282 CG1 VAL A 17 50.977 -22.728 -28.888 1.00 6.67 C ATOM 283 1HG1 VAL A 17 50.565 -22.600 -29.887 1.00 6.67 H ATOM 284 2HG1 VAL A 17 51.285 -23.763 -28.769 1.00 6.67 H ATOM 285 3HG1 VAL A 17 51.847 -22.076 -28.791 1.00 6.67 H ATOM 286 CG2 VAL A 17 48.624 -23.140 -28.033 1.00 6.67 C ATOM 287 1HG2 VAL A 17 48.248 -22.995 -29.043 1.00 6.67 H ATOM 288 2HG2 VAL A 17 47.869 -22.788 -27.329 1.00 6.67 H ATOM 289 3HG2 VAL A 17 48.796 -24.204 -27.877 1.00 6.67 H ATOM 290 N LYS A 18 52.464 -21.556 -25.467 1.00-10.04 N ATOM 291 H LYS A 18 51.924 -20.723 -25.249 1.00-10.04 H ATOM 292 CA LYS A 18 53.834 -21.670 -24.952 1.00-10.04 C ATOM 293 HA LYS A 18 54.516 -21.758 -25.799 1.00-10.04 H ATOM 294 C LYS A 18 54.022 -22.921 -24.084 1.00-10.04 C ATOM 295 O LYS A 18 55.108 -23.506 -24.073 1.00-10.04 O ATOM 296 CB LYS A 18 54.175 -20.401 -24.163 1.00-10.04 C ATOM 297 1HB LYS A 18 53.912 -19.541 -24.779 1.00-10.04 H ATOM 298 2HB LYS A 18 53.563 -20.377 -23.261 1.00-10.04 H ATOM 299 CG LYS A 18 55.636 -20.265 -23.765 1.00-10.04 C ATOM 300 1HG LYS A 18 55.923 -21.103 -23.131 1.00-10.04 H ATOM 301 2HG LYS A 18 56.254 -20.266 -24.664 1.00-10.04 H ATOM 302 CD LYS A 18 55.859 -18.968 -23.004 1.00-10.04 C ATOM 303 1HD LYS A 18 55.524 -18.132 -23.621 1.00-10.04 H ATOM 304 2HD LYS A 18 55.271 -18.991 -22.085 1.00-10.04 H ATOM 305 CE LYS A 18 57.333 -18.786 -22.661 1.00-10.04 C ATOM 306 1HE LYS A 18 57.665 -19.637 -22.062 1.00-10.04 H ATOM 307 2HE LYS A 18 57.912 -18.767 -23.588 1.00-10.04 H ATOM 308 NZ LYS A 18 57.570 -17.513 -21.897 1.00-10.04 N ATOM 309 1HZ LYS A 18 58.554 -17.418 -21.684 1.00-10.04 H ATOM 310 2HZ LYS A 18 57.044 -17.528 -21.033 1.00-10.04 H ATOM 311 3HZ LYS A 18 57.273 -16.721 -22.451 1.00-10.04 H ATOM 312 N ILE A 19 52.968 -23.365 -23.407 1.00-12.29 N ATOM 313 H ILE A 19 52.109 -22.825 -23.414 1.00-12.29 H ATOM 314 CA ILE A 19 52.983 -24.649 -22.700 1.00-12.29 C ATOM 315 HA ILE A 19 53.978 -25.071 -22.804 1.00-12.29 H ATOM 316 C ILE A 19 52.042 -25.696 -23.314 1.00-12.29 C ATOM 317 O ILE A 19 52.367 -26.880 -23.288 1.00-12.29 O ATOM 318 CB ILE A 19 52.755 -24.480 -21.165 1.00-12.29 C ATOM 319 HB ILE A 19 52.865 -25.463 -20.704 1.00-12.29 H ATOM 320 CG1 ILE A 19 51.345 -23.950 -20.832 1.00-12.29 C ATOM 321 1HG1 ILE A 19 51.262 -22.920 -21.181 1.00-12.29 H ATOM 322 2HG1 ILE A 19 50.607 -24.548 -21.362 1.00-12.29 H ATOM 323 CG2 ILE A 19 53.852 -23.548 -20.579 1.00-12.29 C ATOM 324 1HG2 ILE A 19 53.829 -23.589 -19.489 1.00-12.29 H ATOM 325 2HG2 ILE A 19 53.690 -22.518 -20.900 1.00-12.29 H ATOM 326 3HG2 ILE A 19 54.837 -23.879 -20.911 1.00-12.29 H ATOM 327 CD1 ILE A 19 50.976 -23.985 -19.344 1.00-12.29 C ATOM 328 1HD1 ILE A 19 49.938 -23.681 -19.225 1.00-12.29 H ATOM 329 2HD1 ILE A 19 51.607 -23.300 -18.778 1.00-12.29 H ATOM 330 3HD1 ILE A 19 51.094 -24.997 -18.954 1.00-12.29 H ATOM 331 N LEU A 20 50.917 -25.292 -23.897 1.00 11.59 N ATOM 332 H LEU A 20 50.677 -24.305 -23.884 1.00 11.59 H ATOM 333 CA LEU A 20 49.972 -26.248 -24.492 1.00 11.59 C ATOM 334 HA LEU A 20 49.818 -27.053 -23.775 1.00 11.59 H ATOM 335 C LEU A 20 50.464 -26.887 -25.795 1.00 11.59 C ATOM 336 O LEU A 20 50.204 -28.070 -26.029 1.00 11.59 O ATOM 337 CB LEU A 20 48.617 -25.569 -24.732 1.00 11.59 C ATOM 338 1HB LEU A 20 48.333 -25.067 -23.811 1.00 11.59 H ATOM 339 2HB LEU A 20 48.750 -24.812 -25.492 1.00 11.59 H ATOM 340 CG LEU A 20 47.434 -26.440 -25.181 1.00 11.59 C ATOM 341 HG LEU A 20 47.724 -26.979 -26.080 1.00 11.59 H ATOM 342 CD1 LEU A 20 47.018 -27.460 -24.119 1.00 11.59 C ATOM 343 1HD1 LEU A 20 46.167 -28.040 -24.475 1.00 11.59 H ATOM 344 2HD1 LEU A 20 46.733 -26.945 -23.199 1.00 11.59 H ATOM 345 3HD1 LEU A 20 47.845 -28.134 -23.902 1.00 11.59 H ATOM 346 CD2 LEU A 20 46.243 -25.556 -25.531 1.00 11.59 C ATOM 347 1HD2 LEU A 20 45.422 -26.170 -25.903 1.00 11.59 H ATOM 348 2HD2 LEU A 20 46.522 -24.847 -26.312 1.00 11.59 H ATOM 349 3HD2 LEU A 20 45.905 -25.005 -24.652 1.00 11.59 H ATOM 350 N LYS A 21 51.188 -26.115 -26.602 1.00 -5.24 N ATOM 351 H LYS A 21 51.340 -25.147 -26.340 1.00 -5.24 H ATOM 352 CA LYS A 21 51.890 -26.581 -27.812 1.00 -5.24 C ATOM 353 HA LYS A 21 52.309 -25.707 -28.310 1.00 -5.24 H ATOM 354 C LYS A 21 51.006 -27.283 -28.843 1.00 -5.24 C ATOM 355 O LYS A 21 51.217 -28.449 -29.170 1.00 -5.24 O ATOM 356 CB LYS A 21 53.087 -27.442 -27.384 1.00 -5.24 C ATOM 357 1HB LYS A 21 52.718 -28.317 -26.849 1.00 -5.24 H ATOM 358 2HB LYS A 21 53.632 -27.775 -28.268 1.00 -5.24 H ATOM 359 CG LYS A 21 54.041 -26.666 -26.474 1.00 -5.24 C ATOM 360 1HG LYS A 21 54.488 -25.845 -27.035 1.00 -5.24 H ATOM 361 2HG LYS A 21 53.485 -26.246 -25.641 1.00 -5.24 H ATOM 362 CD LYS A 21 55.131 -27.524 -25.883 1.00 -5.24 C ATOM 363 1HD LYS A 21 54.677 -28.376 -25.376 1.00 -5.24 H ATOM 364 2HD LYS A 21 55.797 -27.876 -26.672 1.00 -5.24 H ATOM 365 CE LYS A 21 55.899 -26.685 -24.871 1.00 -5.24 C ATOM 366 1HE LYS A 21 56.341 -25.826 -25.382 1.00 -5.24 H ATOM 367 2HE LYS A 21 55.192 -26.307 -24.128 1.00 -5.24 H ATOM 368 NZ LYS A 21 56.968 -27.465 -24.172 1.00 -5.24 N ATOM 369 1HZ LYS A 21 57.445 -26.869 -23.509 1.00 -5.24 H ATOM 370 2HZ LYS A 21 57.633 -27.816 -24.846 1.00 -5.24 H ATOM 371 3HZ LYS A 21 56.551 -28.242 -23.677 1.00 -5.24 H ATOM 372 N LYS A 22 50.001 -26.557 -29.321 1.00 -1.37 N ATOM 373 H LYS A 22 49.938 -25.576 -29.084 1.00 -1.37 H ATOM 374 CA LYS A 22 48.992 -27.021 -30.283 1.00 -1.37 C ATOM 375 HA LYS A 22 49.405 -27.775 -30.952 1.00 -1.37 H ATOM 376 C LYS A 22 48.663 -25.765 -31.068 1.00 -1.37 C ATOM 377 O LYS A 22 47.807 -25.721 -31.965 1.00 -1.37 O ATOM 378 OXT LYS A 22 49.301 -24.762 -30.692 1.00 -1.37 O ATOM 379 CB LYS A 22 47.740 -27.552 -29.572 1.00 -1.37 C ATOM 380 1HB LYS A 22 47.381 -26.789 -28.881 1.00 -1.37 H ATOM 381 2HB LYS A 22 46.965 -27.746 -30.314 1.00 -1.37 H ATOM 382 CG LYS A 22 48.018 -28.828 -28.806 1.00 -1.37 C ATOM 383 1HG LYS A 22 48.359 -29.592 -29.505 1.00 -1.37 H ATOM 384 2HG LYS A 22 48.818 -28.623 -28.105 1.00 -1.37 H ATOM 385 CD LYS A 22 46.838 -29.363 -28.024 1.00 -1.37 C ATOM 386 1HD LYS A 22 46.485 -28.601 -27.330 1.00 -1.37 H ATOM 387 2HD LYS A 22 46.034 -29.626 -28.713 1.00 -1.37 H ATOM 388 CE LYS A 22 47.278 -30.603 -27.246 1.00 -1.37 C ATOM 389 1HE LYS A 22 46.411 -31.032 -26.740 1.00 -1.37 H ATOM 390 2HE LYS A 22 47.665 -31.338 -27.957 1.00 -1.37 H ATOM 391 NZ LYS A 22 48.351 -30.290 -26.232 1.00 -1.37 N ATOM 392 1HZ LYS A 22 48.684 -31.137 -25.795 1.00 -1.37 H ATOM 393 2HZ LYS A 22 47.992 -29.663 -25.527 1.00 -1.37 H ATOM 394 3HZ LYS A 22 49.135 -29.823 -26.683 1.00 -1.37 H TER 395 LYS A 22 END
SEQUENCE	GIGKFLKKAKKFGKAFVKILKK
HELICITY	90.90	INSTAB. INDEX	-6.16	FLEXIBILITY	10.64
a HYD. MOM.	105.02	b HYD. MOM.	41.65	c HYD. MOM	9.87
a MEAN HYD. MOM.	4.77	b MEAN HYD. MOM.	1.89	c MEAN HYD. MOM.	0.45
CHARGE pH5	9.00	CHARGE pH7	9.00	CHARGE pH9	8.55
Δ CHARGE pH5-pH9	0.45	ISOELECTRIC POINT	10.90	BOMAN INDEX	0.49
ΔG	19	CPP	0,46	MLP	-26,12
MOLECULAR VOLUME		POLARITY
MIC E. coli	4	MIC P. aeruginosa	4	MIC S. typhimurium
MIC S. aureus	4	MIC M. luteus	0,70	MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+	Staphylococcus epidermidis = 1
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Pipidae	GENUS	Xenopus	SPECIES	Xenopus laevis
DATE	1998
TITLE PAPER	In Vitro Antibacterial Properties of Pexiganan, an Analog of Magainin