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ID	1662	NAME	Ranatuerin-2VLb   Blast NCBI-PROT
LENGTH	28	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\GIMDTIKGAAKDLAGQLLDKLKCKITKC.pdb REMARK YASARA Written on: Wed May 14 13:54:20 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 437 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: RANATUERIN-2CSA; COMPND 3 CHAIN: A; SEQRES 1 A 28 GLY ILE MET ASP THR ILE LYS GLY ALA ALA LYS ASP LEU SEQRES 2 A 28 ALA GLY GLN LEU LEU ASP LYS LEU LYS CYS LYS ILE THR SEQRES 3 A 28 LYS CYS 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 SSBOND 1 CYS A 23 CYS A 28 2.03 ATOM 1 N GLY A 1 -27.851 2.002 -26.510 1.00-30.25 N ATOM 2 1H GLY A 1 -28.377 2.255 -25.686 1.00-30.25 H ATOM 3 2H GLY A 1 -28.471 1.984 -27.308 1.00-30.25 H ATOM 4 3H GLY A 1 -27.123 2.682 -26.675 1.00-30.25 H ATOM 5 CA GLY A 1 -27.248 0.663 -26.331 1.00-30.25 C ATOM 6 1HA GLY A 1 -26.611 0.664 -25.449 1.00-30.25 H ATOM 7 2HA GLY A 1 -28.049 -0.065 -26.211 1.00-30.25 H ATOM 8 C GLY A 1 -26.429 0.295 -27.540 1.00-30.25 C ATOM 9 O GLY A 1 -26.091 1.200 -28.287 1.00-30.25 O ATOM 10 N ILE A 2 -26.083 -0.974 -27.737 1.00-19.94 N ATOM 11 H ILE A 2 -26.380 -1.690 -27.094 1.00-19.94 H ATOM 12 CA ILE A 2 -25.228 -1.376 -28.863 1.00-19.94 C ATOM 13 HA ILE A 2 -24.782 -0.481 -29.298 1.00-19.94 H ATOM 14 C ILE A 2 -25.966 -2.086 -30.001 1.00-19.94 C ATOM 15 O ILE A 2 -25.390 -2.339 -31.047 1.00-19.94 O ATOM 16 CB ILE A 2 -24.052 -2.277 -28.374 1.00-19.94 C ATOM 17 HB ILE A 2 -23.413 -2.492 -29.231 1.00-19.94 H ATOM 18 CG1 ILE A 2 -24.572 -3.616 -27.808 1.00-19.94 C ATOM 19 1HG1 ILE A 2 -25.120 -3.425 -26.886 1.00-19.94 H ATOM 20 2HG1 ILE A 2 -25.262 -4.055 -28.526 1.00-19.94 H ATOM 21 CG2 ILE A 2 -23.203 -1.510 -27.324 1.00-19.94 C ATOM 22 1HG2 ILE A 2 -22.277 -2.055 -27.132 1.00-19.94 H ATOM 23 2HG2 ILE A 2 -23.747 -1.395 -26.387 1.00-19.94 H ATOM 24 3HG2 ILE A 2 -22.937 -0.525 -27.713 1.00-19.94 H ATOM 25 CD1 ILE A 2 -23.495 -4.666 -27.519 1.00-19.94 C ATOM 26 1HD1 ILE A 2 -23.972 -5.597 -27.211 1.00-19.94 H ATOM 27 2HD1 ILE A 2 -22.836 -4.328 -26.720 1.00-19.94 H ATOM 28 3HD1 ILE A 2 -22.908 -4.853 -28.421 1.00-19.94 H ATOM 29 N MET A 3 -27.244 -2.388 -29.810 1.00 -1.16 N ATOM 30 H MET A 3 -27.715 -2.088 -28.970 1.00 -1.16 H ATOM 31 CA MET A 3 -28.018 -3.147 -30.802 1.00 -1.16 C ATOM 32 HA MET A 3 -27.354 -3.580 -31.548 1.00 -1.16 H ATOM 33 C MET A 3 -28.984 -2.203 -31.494 1.00 -1.16 C ATOM 34 O MET A 3 -29.868 -2.597 -32.238 1.00 -1.16 O ATOM 35 CB MET A 3 -28.818 -4.269 -30.131 1.00 -1.16 C ATOM 36 1HB MET A 3 -29.508 -3.823 -29.416 1.00 -1.16 H ATOM 37 2HB MET A 3 -29.405 -4.776 -30.895 1.00 -1.16 H ATOM 38 CG MET A 3 -27.973 -5.310 -29.403 1.00 -1.16 C ATOM 39 1HG MET A 3 -27.451 -4.825 -28.579 1.00 -1.16 H ATOM 40 2HG MET A 3 -28.638 -6.067 -28.987 1.00 -1.16 H ATOM 41 SD MET A 3 -26.748 -6.127 -30.454 1.00 -1.16 S ATOM 42 CE MET A 3 -27.769 -7.107 -31.588 1.00 -1.16 C ATOM 43 1HE MET A 3 -27.122 -7.682 -32.251 1.00 -1.16 H ATOM 44 2HE MET A 3 -28.396 -6.446 -32.188 1.00 -1.16 H ATOM 45 3HE MET A 3 -28.401 -7.789 -31.019 1.00 -1.16 H ATOM 46 N ASP A 4 -28.839 -0.929 -31.176 1.00 -3.53 N ATOM 47 H ASP A 4 -28.026 -0.643 -30.654 1.00 -3.53 H ATOM 48 CA ASP A 4 -29.893 0.060 -31.393 1.00 -3.53 C ATOM 49 HA ASP A 4 -30.834 -0.337 -31.010 1.00 -3.53 H ATOM 50 C ASP A 4 -30.077 0.374 -32.867 1.00 -3.53 C ATOM 51 O ASP A 4 -31.103 0.902 -33.279 1.00 -3.53 O ATOM 52 CB ASP A 4 -29.566 1.357 -30.648 1.00 -3.53 C ATOM 53 1HB ASP A 4 -28.576 1.701 -30.950 1.00 -3.53 H ATOM 54 2HB ASP A 4 -30.297 2.114 -30.933 1.00 -3.53 H ATOM 55 CG ASP A 4 -29.597 1.204 -29.133 1.00 -3.53 C ATOM 56 OD1 ASP A 4 -29.230 0.137 -28.582 1.00 -3.53 O ATOM 57 OD2 ASP A 4 -29.901 2.206 -28.457 1.00 -3.53 O ATOM 58 N THR A 5 -29.079 0.026 -33.662 1.00 20.23 N ATOM 59 H THR A 5 -28.247 -0.383 -33.260 1.00 20.23 H ATOM 60 CA THR A 5 -29.103 0.210 -35.107 1.00 20.23 C ATOM 61 HA THR A 5 -29.918 0.869 -35.398 1.00 20.23 H ATOM 62 C THR A 5 -29.254 -1.121 -35.838 1.00 20.23 C ATOM 63 O THR A 5 -29.418 -1.151 -37.059 1.00 20.23 O ATOM 64 CB THR A 5 -27.761 0.819 -35.541 1.00 20.23 C ATOM 65 HB THR A 5 -27.720 0.894 -36.628 1.00 20.23 H ATOM 66 OG1 THR A 5 -26.712 -0.021 -35.054 1.00 20.23 O ATOM 67 HG1 THR A 5 -25.877 0.307 -35.397 1.00 20.23 H ATOM 68 CG2 THR A 5 -27.538 2.194 -34.921 1.00 20.23 C ATOM 69 1HG2 THR A 5 -26.653 2.648 -35.365 1.00 20.23 H ATOM 70 2HG2 THR A 5 -27.387 2.104 -33.845 1.00 20.23 H ATOM 71 3HG2 THR A 5 -28.397 2.835 -35.111 1.00 20.23 H ATOM 72 N ILE A 6 -29.194 -2.222 -35.099 1.00-15.31 N ATOM 73 H ILE A 6 -29.222 -2.154 -34.087 1.00-15.31 H ATOM 74 CA ILE A 6 -29.084 -3.560 -35.680 1.00-15.31 C ATOM 75 HA ILE A 6 -28.731 -3.459 -36.706 1.00-15.31 H ATOM 76 C ILE A 6 -30.497 -4.134 -35.715 1.00-15.31 C ATOM 77 O ILE A 6 -30.951 -4.834 -34.812 1.00-15.31 O ATOM 78 CB ILE A 6 -28.074 -4.466 -34.903 1.00-15.31 C ATOM 79 HB ILE A 6 -28.459 -4.639 -33.898 1.00-15.31 H ATOM 80 CG1 ILE A 6 -26.713 -3.744 -34.783 1.00-15.31 C ATOM 81 1HG1 ILE A 6 -26.315 -3.588 -35.786 1.00-15.31 H ATOM 82 2HG1 ILE A 6 -26.866 -2.767 -34.328 1.00-15.31 H ATOM 83 CG2 ILE A 6 -27.910 -5.835 -35.621 1.00-15.31 C ATOM 84 1HG2 ILE A 6 -27.265 -6.490 -35.038 1.00-15.31 H ATOM 85 2HG2 ILE A 6 -27.480 -5.694 -36.614 1.00-15.31 H ATOM 86 3HG2 ILE A 6 -28.882 -6.322 -35.716 1.00-15.31 H ATOM 87 CD1 ILE A 6 -25.640 -4.458 -33.949 1.00-15.31 C ATOM 88 1HD1 ILE A 6 -24.783 -3.796 -33.825 1.00-15.31 H ATOM 89 2HD1 ILE A 6 -25.312 -5.368 -34.451 1.00-15.31 H ATOM 90 3HD1 ILE A 6 -26.035 -4.706 -32.965 1.00-15.31 H ATOM 91 N LYS A 7 -31.222 -3.704 -36.737 1.00 11.50 N ATOM 92 H LYS A 7 -30.767 -3.149 -37.456 1.00 11.50 H ATOM 93 CA LYS A 7 -32.662 -3.920 -36.881 1.00 11.50 C ATOM 94 HA LYS A 7 -32.915 -4.964 -36.694 1.00 11.50 H ATOM 95 C LYS A 7 -32.932 -3.575 -38.337 1.00 11.50 C ATOM 96 O LYS A 7 -31.967 -3.339 -39.068 1.00 11.50 O ATOM 97 CB LYS A 7 -33.421 -3.023 -35.891 1.00 11.50 C ATOM 98 1HB LYS A 7 -34.490 -3.202 -35.996 1.00 11.50 H ATOM 99 2HB LYS A 7 -33.134 -3.332 -34.887 1.00 11.50 H ATOM 100 CG LYS A 7 -33.155 -1.524 -36.000 1.00 11.50 C ATOM 101 1HG LYS A 7 -32.085 -1.328 -35.984 1.00 11.50 H ATOM 102 2HG LYS A 7 -33.574 -1.143 -36.928 1.00 11.50 H ATOM 103 CD LYS A 7 -33.790 -0.831 -34.806 1.00 11.50 C ATOM 104 1HD LYS A 7 -34.837 -1.128 -34.727 1.00 11.50 H ATOM 105 2HD LYS A 7 -33.263 -1.155 -33.907 1.00 11.50 H ATOM 106 CE LYS A 7 -33.706 0.681 -34.909 1.00 11.50 C ATOM 107 1HE LYS A 7 -32.682 0.963 -35.158 1.00 11.50 H ATOM 108 2HE LYS A 7 -34.374 1.038 -35.690 1.00 11.50 H ATOM 109 NZ LYS A 7 -34.070 1.297 -33.598 1.00 11.50 N ATOM 110 1HZ LYS A 7 -34.009 2.310 -33.648 1.00 11.50 H ATOM 111 2HZ LYS A 7 -33.406 0.994 -32.896 1.00 11.50 H ATOM 112 3HZ LYS A 7 -35.004 1.032 -33.327 1.00 11.50 H ATOM 113 N GLY A 8 -34.185 -3.490 -38.764 1.00 18.10 N ATOM 114 H GLY A 8 -34.957 -3.608 -38.108 1.00 18.10 H ATOM 115 CA GLY A 8 -34.520 -3.142 -40.139 1.00 18.10 C ATOM 116 1HA GLY A 8 -33.856 -3.672 -40.821 1.00 18.10 H ATOM 117 2HA GLY A 8 -35.549 -3.444 -40.338 1.00 18.10 H ATOM 118 C GLY A 8 -34.398 -1.650 -40.386 1.00 18.10 C ATOM 119 O GLY A 8 -35.383 -0.962 -40.634 1.00 18.10 O ATOM 120 N ALA A 9 -33.182 -1.135 -40.271 1.00 19.07 N ATOM 121 H ALA A 9 -32.410 -1.788 -40.149 1.00 19.07 H ATOM 122 CA ALA A 9 -32.882 0.289 -40.148 1.00 19.07 C ATOM 123 HA ALA A 9 -33.226 0.590 -39.160 1.00 19.07 H ATOM 124 C ALA A 9 -33.550 1.256 -41.137 1.00 19.07 C ATOM 125 O ALA A 9 -33.918 2.362 -40.741 1.00 19.07 O ATOM 126 CB ALA A 9 -31.356 0.462 -40.176 1.00 19.07 C ATOM 127 1HB ALA A 9 -30.902 -0.106 -39.360 1.00 19.07 H ATOM 128 2HB ALA A 9 -31.101 1.515 -40.056 1.00 19.07 H ATOM 129 3HB ALA A 9 -30.954 0.107 -41.127 1.00 19.07 H ATOM 130 N ALA A 10 -33.762 0.842 -42.379 1.00 -2.83 N ATOM 131 H ALA A 10 -33.462 -0.080 -42.649 1.00 -2.83 H ATOM 132 CA ALA A 10 -34.434 1.689 -43.366 1.00 -2.83 C ATOM 133 HA ALA A 10 -33.863 2.613 -43.473 1.00 -2.83 H ATOM 134 C ALA A 10 -35.858 2.076 -42.931 1.00 -2.83 C ATOM 135 O ALA A 10 -36.315 3.187 -43.188 1.00 -2.83 O ATOM 136 CB ALA A 10 -34.459 0.970 -44.723 1.00 -2.83 C ATOM 137 1HB ALA A 10 -33.439 0.759 -45.050 1.00 -2.83 H ATOM 138 2HB ALA A 10 -34.939 1.612 -45.464 1.00 -2.83 H ATOM 139 3HB ALA A 10 -35.017 0.035 -44.648 1.00 -2.83 H ATOM 140 N LYS A 11 -36.544 1.179 -42.235 1.00 6.61 N ATOM 141 H LYS A 11 -36.137 0.268 -42.052 1.00 6.61 H ATOM 142 CA LYS A 11 -37.840 1.505 -41.639 1.00 6.61 C ATOM 143 HA LYS A 11 -38.310 2.311 -42.200 1.00 6.61 H ATOM 144 C LYS A 11 -37.614 1.983 -40.212 1.00 6.61 C ATOM 145 O LYS A 11 -38.091 3.046 -39.820 1.00 6.61 O ATOM 146 CB LYS A 11 -38.767 0.279 -41.647 1.00 6.61 C ATOM 147 1HB LYS A 11 -38.881 -0.061 -42.677 1.00 6.61 H ATOM 148 2HB LYS A 11 -38.302 -0.521 -41.073 1.00 6.61 H ATOM 149 CG LYS A 11 -40.155 0.567 -41.062 1.00 6.61 C ATOM 150 1HG LYS A 11 -40.039 0.862 -40.024 1.00 6.61 H ATOM 151 2HG LYS A 11 -40.584 1.406 -41.609 1.00 6.61 H ATOM 152 CD LYS A 11 -41.148 -0.603 -41.136 1.00 6.61 C ATOM 153 1HD LYS A 11 -42.133 -0.227 -40.855 1.00 6.61 H ATOM 154 2HD LYS A 11 -41.200 -0.945 -42.170 1.00 6.61 H ATOM 155 CE LYS A 11 -40.827 -1.810 -40.238 1.00 6.61 C ATOM 156 1HE LYS A 11 -41.547 -2.598 -40.461 1.00 6.61 H ATOM 157 2HE LYS A 11 -39.829 -2.182 -40.479 1.00 6.61 H ATOM 158 NZ LYS A 11 -40.881 -1.525 -38.764 1.00 6.61 N ATOM 159 1HZ LYS A 11 -40.881 -2.379 -38.231 1.00 6.61 H ATOM 160 2HZ LYS A 11 -41.698 -0.965 -38.526 1.00 6.61 H ATOM 161 3HZ LYS A 11 -40.059 -0.986 -38.491 1.00 6.61 H ATOM 162 N ASP A 12 -36.904 1.172 -39.447 1.00 10.97 N ATOM 163 H ASP A 12 -36.479 0.349 -39.865 1.00 10.97 H ATOM 164 CA ASP A 12 -36.928 1.247 -37.987 1.00 10.97 C ATOM 165 HA ASP A 12 -37.962 1.370 -37.658 1.00 10.97 H ATOM 166 C ASP A 12 -36.066 2.368 -37.407 1.00 10.97 C ATOM 167 O ASP A 12 -36.413 3.012 -36.422 1.00 10.97 O ATOM 168 CB ASP A 12 -36.355 -0.043 -37.385 1.00 10.97 C ATOM 169 1HB ASP A 12 -35.315 -0.123 -37.693 1.00 10.97 H ATOM 170 2HB ASP A 12 -36.394 0.030 -36.299 1.00 10.97 H ATOM 171 CG ASP A 12 -37.063 -1.320 -37.823 1.00 10.97 C ATOM 172 OD1 ASP A 12 -38.084 -1.303 -38.534 1.00 10.97 O ATOM 173 OD2 ASP A 12 -36.514 -2.389 -37.479 1.00 10.97 O ATOM 174 N LEU A 13 -34.885 2.568 -37.976 1.00 3.68 N ATOM 175 H LEU A 13 -34.645 2.062 -38.819 1.00 3.68 H ATOM 176 CA LEU A 13 -33.917 3.511 -37.407 1.00 3.68 C ATOM 177 HA LEU A 13 -34.045 3.549 -36.327 1.00 3.68 H ATOM 178 C LEU A 13 -34.186 4.890 -37.967 1.00 3.68 C ATOM 179 O LEU A 13 -34.201 5.865 -37.230 1.00 3.68 O ATOM 180 CB LEU A 13 -32.476 3.100 -37.720 1.00 3.68 C ATOM 181 1HB LEU A 13 -32.335 2.068 -37.401 1.00 3.68 H ATOM 182 2HB LEU A 13 -32.345 3.141 -38.799 1.00 3.68 H ATOM 183 CG LEU A 13 -31.364 3.954 -37.090 1.00 3.68 C ATOM 184 HG LEU A 13 -31.506 4.990 -37.393 1.00 3.68 H ATOM 185 CD1 LEU A 13 -31.350 3.896 -35.562 1.00 3.68 C ATOM 186 1HD1 LEU A 13 -30.530 4.506 -35.180 1.00 3.68 H ATOM 187 2HD1 LEU A 13 -31.219 2.871 -35.213 1.00 3.68 H ATOM 188 3HD1 LEU A 13 -32.280 4.300 -35.160 1.00 3.68 H ATOM 189 CD2 LEU A 13 -30.020 3.486 -37.637 1.00 3.68 C ATOM 190 1HD2 LEU A 13 -29.220 4.094 -37.213 1.00 3.68 H ATOM 191 2HD2 LEU A 13 -29.999 3.605 -38.721 1.00 3.68 H ATOM 192 3HD2 LEU A 13 -29.847 2.438 -37.386 1.00 3.68 H ATOM 193 N ALA A 14 -34.520 4.944 -39.250 1.00 6.04 N ATOM 194 H ALA A 14 -34.452 4.110 -39.824 1.00 6.04 H ATOM 195 CA ALA A 14 -35.016 6.180 -39.847 1.00 6.04 C ATOM 196 HA ALA A 14 -34.277 6.973 -39.720 1.00 6.04 H ATOM 197 C ALA A 14 -36.291 6.566 -39.092 1.00 6.04 C ATOM 198 O ALA A 14 -36.552 7.730 -38.824 1.00 6.04 O ATOM 199 CB ALA A 14 -35.294 5.964 -41.337 1.00 6.04 C ATOM 200 1HB ALA A 14 -34.374 5.672 -41.846 1.00 6.04 H ATOM 201 2HB ALA A 14 -35.661 6.892 -41.777 1.00 6.04 H ATOM 202 3HB ALA A 14 -36.041 5.181 -41.473 1.00 6.04 H ATOM 203 N GLY A 15 -37.035 5.552 -38.677 1.00 21.57 N ATOM 204 H GLY A 15 -36.795 4.608 -38.948 1.00 21.57 H ATOM 205 CA GLY A 15 -38.175 5.747 -37.804 1.00 21.57 C ATOM 206 1HA GLY A 15 -38.922 6.352 -38.307 1.00 21.57 H ATOM 207 2HA GLY A 15 -38.593 4.774 -37.584 1.00 21.57 H ATOM 208 C GLY A 15 -37.845 6.412 -36.492 1.00 21.57 C ATOM 209 O GLY A 15 -38.438 7.426 -36.187 1.00 21.57 O ATOM 210 N GLN A 16 -36.896 5.876 -35.742 1.00 1.44 N ATOM 211 H GLN A 16 -36.451 5.018 -36.052 1.00 1.44 H ATOM 212 CA GLN A 16 -36.492 6.450 -34.460 1.00 1.44 C ATOM 213 HA GLN A 16 -37.361 6.492 -33.802 1.00 1.44 H ATOM 214 C GLN A 16 -35.927 7.867 -34.597 1.00 1.44 C ATOM 215 O GLN A 16 -36.237 8.759 -33.808 1.00 1.44 O ATOM 216 CB GLN A 16 -35.434 5.527 -33.846 1.00 1.44 C ATOM 217 1HB GLN A 16 -35.832 4.512 -33.854 1.00 1.44 H ATOM 218 2HB GLN A 16 -34.546 5.551 -34.477 1.00 1.44 H ATOM 219 CG GLN A 16 -35.016 5.867 -32.418 1.00 1.44 C ATOM 220 1HG GLN A 16 -34.615 6.880 -32.394 1.00 1.44 H ATOM 221 2HG GLN A 16 -35.889 5.821 -31.767 1.00 1.44 H ATOM 222 CD GLN A 16 -33.957 4.918 -31.895 1.00 1.44 C ATOM 223 OE1 GLN A 16 -33.700 3.872 -32.475 1.00 1.44 O ATOM 224 NE2 GLN A 16 -33.330 5.271 -30.807 1.00 1.44 N ATOM 225 1HE2 GLN A 16 -32.617 4.660 -30.441 1.00 1.44 H ATOM 226 2HE2 GLN A 16 -33.557 6.137 -30.349 1.00 1.44 H ATOM 227 N LEU A 17 -35.100 8.089 -35.607 1.00 -5.98 N ATOM 228 H LEU A 17 -34.880 7.332 -36.252 1.00 -5.98 H ATOM 229 CA LEU A 17 -34.464 9.392 -35.800 1.00 -5.98 C ATOM 230 HA LEU A 17 -33.966 9.689 -34.879 1.00 -5.98 H ATOM 231 C LEU A 17 -35.494 10.461 -36.140 1.00 -5.98 C ATOM 232 O LEU A 17 -35.418 11.599 -35.672 1.00 -5.98 O ATOM 233 CB LEU A 17 -33.432 9.302 -36.932 1.00 -5.98 C ATOM 234 1HB LEU A 17 -33.935 8.887 -37.805 1.00 -5.98 H ATOM 235 2HB LEU A 17 -33.117 10.315 -37.183 1.00 -5.98 H ATOM 236 CG LEU A 17 -32.166 8.470 -36.664 1.00 -5.98 C ATOM 237 HG LEU A 17 -32.458 7.491 -36.291 1.00 -5.98 H ATOM 238 CD1 LEU A 17 -31.395 8.267 -37.966 1.00 -5.98 C ATOM 239 1HD1 LEU A 17 -30.511 7.658 -37.778 1.00 -5.98 H ATOM 240 2HD1 LEU A 17 -31.089 9.229 -38.379 1.00 -5.98 H ATOM 241 3HD1 LEU A 17 -32.026 7.747 -38.686 1.00 -5.98 H ATOM 242 CD2 LEU A 17 -31.255 9.119 -35.622 1.00 -5.98 C ATOM 243 1HD2 LEU A 17 -30.358 8.513 -35.492 1.00 -5.98 H ATOM 244 2HD2 LEU A 17 -31.769 9.179 -34.664 1.00 -5.98 H ATOM 245 3HD2 LEU A 17 -30.968 10.120 -35.943 1.00 -5.98 H ATOM 246 N LEU A 18 -36.485 10.087 -36.933 1.00 1.66 N ATOM 247 H LEU A 18 -36.529 9.123 -37.255 1.00 1.66 H ATOM 248 CA LEU A 18 -37.495 11.019 -37.425 1.00 1.66 C ATOM 249 HA LEU A 18 -37.172 12.041 -37.232 1.00 1.66 H ATOM 250 C LEU A 18 -38.833 10.802 -36.733 1.00 1.66 C ATOM 251 O LEU A 18 -39.869 11.166 -37.283 1.00 1.66 O ATOM 252 CB LEU A 18 -37.663 10.837 -38.940 1.00 1.66 C ATOM 253 1HB LEU A 18 -38.054 9.835 -39.106 1.00 1.66 H ATOM 254 2HB LEU A 18 -38.409 11.548 -39.292 1.00 1.66 H ATOM 255 CG LEU A 18 -36.414 11.000 -39.821 1.00 1.66 C ATOM 256 HG LEU A 18 -35.636 10.326 -39.465 1.00 1.66 H ATOM 257 CD1 LEU A 18 -36.754 10.606 -41.257 1.00 1.66 C ATOM 258 1HD1 LEU A 18 -35.864 10.701 -41.881 1.00 1.66 H ATOM 259 2HD1 LEU A 18 -37.540 11.250 -41.653 1.00 1.66 H ATOM 260 3HD1 LEU A 18 -37.083 9.568 -41.280 1.00 1.66 H ATOM 261 CD2 LEU A 18 -35.863 12.426 -39.791 1.00 1.66 C ATOM 262 1HD2 LEU A 18 -35.002 12.500 -40.457 1.00 1.66 H ATOM 263 2HD2 LEU A 18 -35.535 12.677 -38.782 1.00 1.66 H ATOM 264 3HD2 LEU A 18 -36.626 13.135 -40.113 1.00 1.66 H ATOM 265 N ASP A 19 -38.833 10.225 -35.537 1.00 39.17 N ATOM 266 H ASP A 19 -37.947 10.003 -35.093 1.00 39.17 H ATOM 267 CA ASP A 19 -40.058 9.758 -34.862 1.00 39.17 C ATOM 268 HA ASP A 19 -40.488 8.968 -35.471 1.00 39.17 H ATOM 269 C ASP A 19 -41.116 10.827 -34.652 1.00 39.17 C ATOM 270 O ASP A 19 -42.313 10.542 -34.584 1.00 39.17 O ATOM 271 CB ASP A 19 -39.746 9.172 -33.481 1.00 39.17 C ATOM 272 1HB ASP A 19 -40.581 8.539 -33.188 1.00 39.17 H ATOM 273 2HB ASP A 19 -38.851 8.557 -33.530 1.00 39.17 H ATOM 274 CG ASP A 19 -39.591 10.250 -32.424 1.00 39.17 C ATOM 275 OD1 ASP A 19 -40.481 10.354 -31.556 1.00 39.17 O ATOM 276 OD2 ASP A 19 -38.678 11.096 -32.545 1.00 39.17 O ATOM 277 N LYS A 20 -40.637 12.062 -34.625 1.00 2.21 N ATOM 278 H LYS A 20 -39.635 12.151 -34.705 1.00 2.21 H ATOM 279 CA LYS A 20 -41.424 13.281 -34.475 1.00 2.21 C ATOM 280 HA LYS A 20 -41.906 13.277 -33.499 1.00 2.21 H ATOM 281 C LYS A 20 -42.507 13.376 -35.542 1.00 2.21 C ATOM 282 O LYS A 20 -43.567 13.933 -35.298 1.00 2.21 O ATOM 283 CB LYS A 20 -40.477 14.486 -34.572 1.00 2.21 C ATOM 284 1HB LYS A 20 -40.109 14.551 -35.597 1.00 2.21 H ATOM 285 2HB LYS A 20 -41.046 15.393 -34.365 1.00 2.21 H ATOM 286 CG LYS A 20 -39.260 14.430 -33.627 1.00 2.21 C ATOM 287 1HG LYS A 20 -39.196 15.372 -33.084 1.00 2.21 H ATOM 288 2HG LYS A 20 -39.393 13.628 -32.902 1.00 2.21 H ATOM 289 CD LYS A 20 -37.943 14.218 -34.402 1.00 2.21 C ATOM 290 1HD LYS A 20 -38.025 13.338 -35.039 1.00 2.21 H ATOM 291 2HD LYS A 20 -37.781 15.089 -35.038 1.00 2.21 H ATOM 292 CE LYS A 20 -36.728 14.053 -33.481 1.00 2.21 C ATOM 293 1HE LYS A 20 -35.854 14.465 -33.990 1.00 2.21 H ATOM 294 2HE LYS A 20 -36.895 14.628 -32.568 1.00 2.21 H ATOM 295 NZ LYS A 20 -36.429 12.619 -33.128 1.00 2.21 N ATOM 296 1HZ LYS A 20 -35.699 12.568 -32.435 1.00 2.21 H ATOM 297 2HZ LYS A 20 -36.126 12.116 -33.958 1.00 2.21 H ATOM 298 3HZ LYS A 20 -37.264 12.159 -32.761 1.00 2.21 H ATOM 299 N LEU A 21 -42.244 12.771 -36.692 1.00 -0.80 N ATOM 300 H LEU A 21 -41.329 12.355 -36.819 1.00 -0.80 H ATOM 301 CA LEU A 21 -43.232 12.631 -37.760 1.00 -0.80 C ATOM 302 HA LEU A 21 -44.206 12.959 -37.398 1.00 -0.80 H ATOM 303 C LEU A 21 -43.374 11.183 -38.222 1.00 -0.80 C ATOM 304 O LEU A 21 -44.482 10.670 -38.317 1.00 -0.80 O ATOM 305 CB LEU A 21 -42.836 13.499 -38.962 1.00 -0.80 C ATOM 306 1HB LEU A 21 -41.854 13.169 -39.301 1.00 -0.80 H ATOM 307 2HB LEU A 21 -43.546 13.295 -39.764 1.00 -0.80 H ATOM 308 CG LEU A 21 -42.776 15.024 -38.768 1.00 -0.80 C ATOM 309 HG LEU A 21 -42.100 15.244 -37.942 1.00 -0.80 H ATOM 310 CD1 LEU A 21 -42.211 15.676 -40.027 1.00 -0.80 C ATOM 311 1HD1 LEU A 21 -42.121 16.752 -39.874 1.00 -0.80 H ATOM 312 2HD1 LEU A 21 -42.868 15.490 -40.878 1.00 -0.80 H ATOM 313 3HD1 LEU A 21 -41.221 15.273 -40.242 1.00 -0.80 H ATOM 314 CD2 LEU A 21 -44.141 15.632 -38.448 1.00 -0.80 C ATOM 315 1HD2 LEU A 21 -44.048 16.714 -38.347 1.00 -0.80 H ATOM 316 2HD2 LEU A 21 -44.516 15.235 -37.504 1.00 -0.80 H ATOM 317 3HD2 LEU A 21 -44.854 15.409 -39.243 1.00 -0.80 H ATOM 318 N LYS A 22 -42.269 10.510 -38.517 1.00 16.08 N ATOM 319 H LYS A 22 -41.360 10.924 -38.326 1.00 16.08 H ATOM 320 CA LYS A 22 -42.325 9.201 -39.171 1.00 16.08 C ATOM 321 HA LYS A 22 -42.925 9.318 -40.076 1.00 16.08 H ATOM 322 C LYS A 22 -43.035 8.149 -38.339 1.00 16.08 C ATOM 323 O LYS A 22 -44.036 7.628 -38.793 1.00 16.08 O ATOM 324 CB LYS A 22 -40.930 8.720 -39.596 1.00 16.08 C ATOM 325 1HB LYS A 22 -40.478 9.502 -40.207 1.00 16.08 H ATOM 326 2HB LYS A 22 -40.303 8.562 -38.718 1.00 16.08 H ATOM 327 CG LYS A 22 -40.984 7.429 -40.407 1.00 16.08 C ATOM 328 1HG LYS A 22 -41.320 6.626 -39.754 1.00 16.08 H ATOM 329 2HG LYS A 22 -41.710 7.562 -41.202 1.00 16.08 H ATOM 330 CD LYS A 22 -39.666 7.048 -41.064 1.00 16.08 C ATOM 331 1HD LYS A 22 -39.355 7.854 -41.730 1.00 16.08 H ATOM 332 2HD LYS A 22 -38.900 6.915 -40.310 1.00 16.08 H ATOM 333 CE LYS A 22 -39.823 5.759 -41.880 1.00 16.08 C ATOM 334 1HE LYS A 22 -40.545 5.945 -42.678 1.00 16.08 H ATOM 335 2HE LYS A 22 -38.862 5.518 -42.342 1.00 16.08 H ATOM 336 NZ LYS A 22 -40.294 4.567 -41.083 1.00 16.08 N ATOM 337 1HZ LYS A 22 -40.444 3.780 -41.696 1.00 16.08 H ATOM 338 2HZ LYS A 22 -41.175 4.778 -40.617 1.00 16.08 H ATOM 339 3HZ LYS A 22 -39.598 4.305 -40.390 1.00 16.08 H ATOM 340 N CYS A 23 -42.603 7.867 -37.119 1.00 15.53 N ATOM 341 H CYS A 23 -41.797 8.339 -36.743 1.00 15.53 H ATOM 342 CA CYS A 23 -43.285 6.843 -36.321 1.00 15.53 C ATOM 343 HA CYS A 23 -43.303 5.911 -36.885 1.00 15.53 H ATOM 344 C CYS A 23 -44.731 7.215 -36.012 1.00 15.53 C ATOM 345 O CYS A 23 -45.596 6.351 -35.927 1.00 15.53 O ATOM 346 CB CYS A 23 -42.581 6.593 -34.984 1.00 15.53 C ATOM 347 1HB CYS A 23 -42.405 7.549 -34.492 1.00 15.53 H ATOM 348 2HB CYS A 23 -43.262 6.016 -34.356 1.00 15.53 H ATOM 349 SG CYS A 23 -41.019 5.662 -35.061 1.00 15.53 S ATOM 350 N LYS A 24 -45.008 8.497 -35.830 1.00 -7.66 N ATOM 351 H LYS A 24 -44.275 9.190 -35.915 1.00 -7.66 H ATOM 352 CA LYS A 24 -46.360 8.922 -35.472 1.00 -7.66 C ATOM 353 HA LYS A 24 -46.741 8.250 -34.702 1.00 -7.66 H ATOM 354 C LYS A 24 -47.333 8.841 -36.643 1.00 -7.66 C ATOM 355 O LYS A 24 -48.474 8.424 -36.453 1.00 -7.66 O ATOM 356 CB LYS A 24 -46.300 10.336 -34.890 1.00 -7.66 C ATOM 357 1HB LYS A 24 -45.770 10.980 -35.593 1.00 -7.66 H ATOM 358 2HB LYS A 24 -47.313 10.718 -34.757 1.00 -7.66 H ATOM 359 CG LYS A 24 -45.580 10.356 -33.540 1.00 -7.66 C ATOM 360 1HG LYS A 24 -46.188 9.830 -32.804 1.00 -7.66 H ATOM 361 2HG LYS A 24 -44.634 9.832 -33.641 1.00 -7.66 H ATOM 362 CD LYS A 24 -45.297 11.768 -33.046 1.00 -7.66 C ATOM 363 1HD LYS A 24 -44.698 12.280 -33.795 1.00 -7.66 H ATOM 364 2HD LYS A 24 -46.239 12.306 -32.926 1.00 -7.66 H ATOM 365 CE LYS A 24 -44.535 11.775 -31.715 1.00 -7.66 C ATOM 366 1HE LYS A 24 -44.366 12.813 -31.420 1.00 -7.66 H ATOM 367 2HE LYS A 24 -45.147 11.293 -30.951 1.00 -7.66 H ATOM 368 NZ LYS A 24 -43.211 11.065 -31.803 1.00 -7.66 N ATOM 369 1HZ LYS A 24 -42.630 11.250 -30.994 1.00 -7.66 H ATOM 370 2HZ LYS A 24 -42.704 11.358 -32.630 1.00 -7.66 H ATOM 371 3HZ LYS A 24 -43.348 10.067 -31.870 1.00 -7.66 H ATOM 372 N ILE A 25 -46.901 9.211 -37.838 1.00-20.44 N ATOM 373 H ILE A 25 -45.944 9.535 -37.950 1.00-20.44 H ATOM 374 CA ILE A 25 -47.795 9.273 -38.998 1.00-20.44 C ATOM 375 HA ILE A 25 -48.823 9.319 -38.642 1.00-20.44 H ATOM 376 C ILE A 25 -47.672 8.029 -39.882 1.00-20.44 C ATOM 377 O ILE A 25 -48.608 7.242 -39.977 1.00-20.44 O ATOM 378 CB ILE A 25 -47.535 10.567 -39.844 1.00-20.44 C ATOM 379 HB ILE A 25 -46.521 10.527 -40.240 1.00-20.44 H ATOM 380 CG1 ILE A 25 -47.653 11.825 -38.952 1.00-20.44 C ATOM 381 1HG1 ILE A 25 -48.695 11.946 -38.654 1.00-20.44 H ATOM 382 2HG1 ILE A 25 -47.064 11.688 -38.048 1.00-20.44 H ATOM 383 CG2 ILE A 25 -48.531 10.658 -41.034 1.00-20.44 C ATOM 384 1HG2 ILE A 25 -48.305 11.529 -41.649 1.00-20.44 H ATOM 385 2HG2 ILE A 25 -49.555 10.738 -40.665 1.00-20.44 H ATOM 386 3HG2 ILE A 25 -48.453 9.775 -41.669 1.00-20.44 H ATOM 387 CD1 ILE A 25 -47.173 13.135 -39.595 1.00-20.44 C ATOM 388 1HD1 ILE A 25 -47.199 13.932 -38.851 1.00-20.44 H ATOM 389 2HD1 ILE A 25 -47.823 13.412 -40.425 1.00-20.44 H ATOM 390 3HD1 ILE A 25 -46.150 13.019 -39.955 1.00-20.44 H ATOM 391 N THR A 26 -46.522 7.830 -40.511 1.00 7.32 N ATOM 392 H THR A 26 -45.731 8.436 -40.329 1.00 7.32 H ATOM 393 CA THR A 26 -46.346 6.790 -41.534 1.00 7.32 C ATOM 394 HA THR A 26 -47.292 6.611 -42.047 1.00 7.32 H ATOM 395 C THR A 26 -45.861 5.470 -40.953 1.00 7.32 C ATOM 396 O THR A 26 -45.661 4.489 -41.663 1.00 7.32 O ATOM 397 CB THR A 26 -45.291 7.242 -42.555 1.00 7.32 C ATOM 398 HB THR A 26 -45.106 6.447 -43.277 1.00 7.32 H ATOM 399 OG1 THR A 26 -44.089 7.563 -41.852 1.00 7.32 O ATOM 400 HG1 THR A 26 -43.795 6.769 -41.391 1.00 7.32 H ATOM 401 CG2 THR A 26 -45.721 8.503 -43.290 1.00 7.32 C ATOM 402 1HG2 THR A 26 -44.985 8.731 -44.060 1.00 7.32 H ATOM 403 2HG2 THR A 26 -45.783 9.346 -42.604 1.00 7.32 H ATOM 404 3HG2 THR A 26 -46.690 8.344 -43.767 1.00 7.32 H ATOM 405 N LYS A 27 -45.675 5.499 -39.642 1.00 2.84 N ATOM 406 H LYS A 27 -45.824 6.385 -39.183 1.00 2.84 H ATOM 407 CA LYS A 27 -45.202 4.395 -38.803 1.00 2.84 C ATOM 408 HA LYS A 27 -45.198 4.768 -37.781 1.00 2.84 H ATOM 409 C LYS A 27 -43.751 4.030 -39.105 1.00 2.84 C ATOM 410 O LYS A 27 -43.080 4.641 -39.955 1.00 2.84 O ATOM 411 CB LYS A 27 -46.169 3.196 -38.816 1.00 2.84 C ATOM 412 1HB LYS A 27 -46.002 2.621 -39.727 1.00 2.84 H ATOM 413 2HB LYS A 27 -45.935 2.556 -37.965 1.00 2.84 H ATOM 414 CG LYS A 27 -47.669 3.567 -38.758 1.00 2.84 C ATOM 415 1HG LYS A 27 -47.928 4.093 -39.677 1.00 2.84 H ATOM 416 2HG LYS A 27 -48.256 2.649 -38.728 1.00 2.84 H ATOM 417 CD LYS A 27 -48.077 4.459 -37.575 1.00 2.84 C ATOM 418 1HD LYS A 27 -47.924 3.927 -36.636 1.00 2.84 H ATOM 419 2HD LYS A 27 -47.471 5.363 -37.574 1.00 2.84 H ATOM 420 CE LYS A 27 -49.531 4.883 -37.715 1.00 2.84 C ATOM 421 1HE LYS A 27 -49.674 5.307 -38.713 1.00 2.84 H ATOM 422 2HE LYS A 27 -50.175 4.008 -37.609 1.00 2.84 H ATOM 423 NZ LYS A 27 -49.894 5.921 -36.695 1.00 2.84 N ATOM 424 1HZ LYS A 27 -50.859 6.194 -36.807 1.00 2.84 H ATOM 425 2HZ LYS A 27 -49.311 6.747 -36.820 1.00 2.84 H ATOM 426 3HZ LYS A 27 -49.746 5.561 -35.765 1.00 2.84 H ATOM 427 N CYS A 28 -43.217 3.122 -38.308 1.00 0.72 N ATOM 428 H CYS A 28 -43.791 2.594 -37.668 1.00 0.72 H ATOM 429 CA CYS A 28 -41.800 2.803 -38.314 1.00 0.72 C ATOM 430 HA CYS A 28 -41.406 2.879 -39.322 1.00 0.72 H ATOM 431 C CYS A 28 -41.641 1.369 -37.854 1.00 0.72 C ATOM 432 O CYS A 28 -40.529 0.975 -37.463 1.00 0.72 O ATOM 433 OXT CYS A 28 -42.643 0.634 -37.974 1.00 0.72 O ATOM 434 CB CYS A 28 -41.042 3.755 -37.393 1.00 0.72 C ATOM 435 1HB CYS A 28 -39.999 3.445 -37.391 1.00 0.72 H ATOM 436 2HB CYS A 28 -41.114 4.759 -37.805 1.00 0.72 H ATOM 437 SG CYS A 28 -41.603 3.813 -35.664 1.00 0.72 S TER 438 CYS A 28 CONECT 349 346 437 CONECT 437 349 434 END
SEQUENCE	GIMDTIKGAAKDLAGQLLDKLKCKITKC
HELICITY	89.30	INSTAB. INDEX	-19.98	FLEXIBILITY	13.38
a HYD. MOM.	69.79	b HYD. MOM.	31.92	c HYD. MOM	4.39
a MEAN HYD. MOM.	2.49	b MEAN HYD. MOM.	1.14	c MEAN HYD. MOM.	0.16
CHARGE pH5	3.20	CHARGE pH7	2.91	CHARGE pH9	1.00
Δ CHARGE pH5-pH9	2.21	ISOELECTRIC POINT	9.19	BOMAN INDEX	0.81
ΔG	25	CPP	-0,04	MLP	-12,16
MOLECULAR VOLUME		POLARITY
MIC E. coli	75	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans	150	OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Rana	SPECIES	Rana vaillanti
DATE	2009
TITLE PAPER	Purification of peptides with differential cytolytic activities from the skin secretions of the Central American frog, Lithobates vaillanti (Ranidae)