Back to Resultset

ID	1636	NAME	Ranatuerin-2P   Blast NCBI-PROT
LENGTH	27	DISULFIDE BRIDGE	1		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\LMDTVKNVAKNLAGHMLDKLKCKITGC.pdb REMARK YASARA Written on: Wed May 14 13:41:03 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 425 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 27 LEU MET ASP THR VAL LYS ASN VAL ALA LYS ASN LEU ALA SEQRES 2 A 27 GLY HIS MET LEU ASP LYS LEU LYS CYS LYS ILE THR GLY SEQRES 3 A 27 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 22 CYS A 27 2.03 ATOM 1 N LEU A 1 -24.719 -1.783 -27.279 1.00-34.42 N ATOM 2 1H LEU A 1 -24.334 -1.777 -26.346 1.00-34.42 H ATOM 3 2H LEU A 1 -25.274 -2.623 -27.408 1.00-34.42 H ATOM 4 3H LEU A 1 -25.322 -0.980 -27.405 1.00-34.42 H ATOM 5 CA LEU A 1 -23.618 -1.749 -28.291 1.00-34.42 C ATOM 6 HA LEU A 1 -23.037 -0.844 -28.125 1.00-34.42 H ATOM 7 C LEU A 1 -24.206 -1.659 -29.696 1.00-34.42 C ATOM 8 O LEU A 1 -24.997 -0.760 -29.940 1.00-34.42 O ATOM 9 CB LEU A 1 -22.686 -2.961 -28.128 1.00-34.42 C ATOM 10 1HB LEU A 1 -23.266 -3.866 -28.308 1.00-34.42 H ATOM 11 2HB LEU A 1 -21.904 -2.901 -28.885 1.00-34.42 H ATOM 12 CG LEU A 1 -21.997 -3.117 -26.762 1.00-34.42 C ATOM 13 HG LEU A 1 -22.761 -3.135 -25.986 1.00-34.42 H ATOM 14 CD1 LEU A 1 -21.247 -4.443 -26.717 1.00-34.42 C ATOM 15 1HD1 LEU A 1 -20.795 -4.578 -25.732 1.00-34.42 H ATOM 16 2HD1 LEU A 1 -20.460 -4.468 -27.473 1.00-34.42 H ATOM 17 3HD1 LEU A 1 -21.937 -5.272 -26.888 1.00-34.42 H ATOM 18 CD2 LEU A 1 -21.028 -1.971 -26.456 1.00-34.42 C ATOM 19 1HD2 LEU A 1 -20.534 -2.155 -25.499 1.00-34.42 H ATOM 20 2HD2 LEU A 1 -21.554 -1.022 -26.380 1.00-34.42 H ATOM 21 3HD2 LEU A 1 -20.261 -1.900 -27.231 1.00-34.42 H ATOM 22 N MET A 2 -23.876 -2.543 -30.633 1.00 -1.73 N ATOM 23 H MET A 2 -23.255 -3.309 -30.420 1.00 -1.73 H ATOM 24 CA MET A 2 -24.389 -2.416 -32.007 1.00 -1.73 C ATOM 25 HA MET A 2 -24.206 -1.400 -32.349 1.00 -1.73 H ATOM 26 C MET A 2 -25.895 -2.658 -32.080 1.00 -1.73 C ATOM 27 O MET A 2 -26.599 -2.123 -32.930 1.00 -1.73 O ATOM 28 CB MET A 2 -23.671 -3.379 -32.955 1.00 -1.73 C ATOM 29 1HB MET A 2 -23.855 -4.404 -32.630 1.00 -1.73 H ATOM 30 2HB MET A 2 -24.096 -3.256 -33.951 1.00 -1.73 H ATOM 31 CG MET A 2 -22.164 -3.151 -33.034 1.00 -1.73 C ATOM 32 1HG MET A 2 -21.722 -3.386 -32.067 1.00 -1.73 H ATOM 33 2HG MET A 2 -21.743 -3.828 -33.777 1.00 -1.73 H ATOM 34 SD MET A 2 -21.719 -1.448 -33.464 1.00 -1.73 S ATOM 35 CE MET A 2 -22.223 -1.310 -35.198 1.00 -1.73 C ATOM 36 1HE MET A 2 -21.944 -0.327 -35.580 1.00 -1.73 H ATOM 37 2HE MET A 2 -23.303 -1.432 -35.284 1.00 -1.73 H ATOM 38 3HE MET A 2 -21.721 -2.077 -35.790 1.00 -1.73 H ATOM 39 N ASP A 3 -26.387 -3.378 -31.088 1.00 -9.71 N ATOM 40 H ASP A 3 -25.749 -3.804 -30.422 1.00 -9.71 H ATOM 41 CA ASP A 3 -27.811 -3.548 -30.820 1.00 -9.71 C ATOM 42 HA ASP A 3 -28.280 -4.088 -31.641 1.00 -9.71 H ATOM 43 C ASP A 3 -28.538 -2.215 -30.645 1.00 -9.71 C ATOM 44 O ASP A 3 -29.685 -2.082 -31.060 1.00 -9.71 O ATOM 45 CB ASP A 3 -27.943 -4.359 -29.525 1.00 -9.71 C ATOM 46 1HB ASP A 3 -28.984 -4.359 -29.202 1.00 -9.71 H ATOM 47 2HB ASP A 3 -27.638 -5.386 -29.727 1.00 -9.71 H ATOM 48 CG ASP A 3 -27.052 -3.811 -28.419 1.00 -9.71 C ATOM 49 OD1 ASP A 3 -25.843 -4.145 -28.437 1.00 -9.71 O ATOM 50 OD2 ASP A 3 -27.459 -2.919 -27.652 1.00 -9.71 O ATOM 51 N THR A 4 -27.877 -1.213 -30.084 1.00 13.94 N ATOM 52 H THR A 4 -26.934 -1.354 -29.744 1.00 13.94 H ATOM 53 CA THR A 4 -28.471 0.105 -29.900 1.00 13.94 C ATOM 54 HA THR A 4 -29.552 0.007 -29.801 1.00 13.94 H ATOM 55 C THR A 4 -28.174 0.996 -31.096 1.00 13.94 C ATOM 56 O THR A 4 -29.009 1.806 -31.482 1.00 13.94 O ATOM 57 CB THR A 4 -27.912 0.771 -28.633 1.00 13.94 C ATOM 58 HB THR A 4 -27.315 1.641 -28.908 1.00 13.94 H ATOM 59 OG1 THR A 4 -27.089 -0.171 -27.937 1.00 13.94 O ATOM 60 HG1 THR A 4 -27.622 -0.958 -27.741 1.00 13.94 H ATOM 61 CG2 THR A 4 -29.019 1.189 -27.689 1.00 13.94 C ATOM 62 1HG2 THR A 4 -28.580 1.643 -26.801 1.00 13.94 H ATOM 63 2HG2 THR A 4 -29.608 0.320 -27.392 1.00 13.94 H ATOM 64 3HG2 THR A 4 -29.666 1.920 -28.177 1.00 13.94 H ATOM 65 N VAL A 5 -27.032 0.794 -31.744 1.00 14.88 N ATOM 66 H VAL A 5 -26.380 0.103 -31.390 1.00 14.88 H ATOM 67 CA VAL A 5 -26.679 1.537 -32.964 1.00 14.88 C ATOM 68 HA VAL A 5 -26.726 2.603 -32.752 1.00 14.88 H ATOM 69 C VAL A 5 -27.708 1.234 -34.053 1.00 14.88 C ATOM 70 O VAL A 5 -28.091 2.114 -34.818 1.00 14.88 O ATOM 71 CB VAL A 5 -25.233 1.202 -33.446 1.00 14.88 C ATOM 72 HB VAL A 5 -25.160 0.129 -33.607 1.00 14.88 H ATOM 73 CG1 VAL A 5 -24.881 1.911 -34.761 1.00 14.88 C ATOM 74 1HG1 VAL A 5 -23.846 1.701 -35.033 1.00 14.88 H ATOM 75 2HG1 VAL A 5 -25.011 2.990 -34.658 1.00 14.88 H ATOM 76 3HG1 VAL A 5 -25.522 1.552 -35.567 1.00 14.88 H ATOM 77 CG2 VAL A 5 -24.204 1.615 -32.380 1.00 14.88 C ATOM 78 1HG2 VAL A 5 -23.202 1.333 -32.708 1.00 14.88 H ATOM 79 2HG2 VAL A 5 -24.404 1.120 -31.436 1.00 14.88 H ATOM 80 3HG2 VAL A 5 -24.236 2.695 -32.224 1.00 14.88 H ATOM 81 N LYS A 6 -28.265 0.030 -34.037 1.00 9.87 N ATOM 82 H LYS A 6 -27.895 -0.667 -33.394 1.00 9.87 H ATOM 83 CA LYS A 6 -29.396 -0.336 -34.896 1.00 9.87 C ATOM 84 HA LYS A 6 -29.058 -0.347 -35.933 1.00 9.87 H ATOM 85 C LYS A 6 -30.564 0.649 -34.804 1.00 9.87 C ATOM 86 O LYS A 6 -31.194 0.955 -35.815 1.00 9.87 O ATOM 87 CB LYS A 6 -29.843 -1.746 -34.492 1.00 9.87 C ATOM 88 1HB LYS A 6 -28.972 -2.401 -34.536 1.00 9.87 H ATOM 89 2HB LYS A 6 -30.173 -1.704 -33.461 1.00 9.87 H ATOM 90 CG LYS A 6 -30.952 -2.374 -35.338 1.00 9.87 C ATOM 91 1HG LYS A 6 -31.001 -1.843 -36.289 1.00 9.87 H ATOM 92 2HG LYS A 6 -30.686 -3.410 -35.546 1.00 9.87 H ATOM 93 CD LYS A 6 -32.350 -2.351 -34.690 1.00 9.87 C ATOM 94 1HD LYS A 6 -32.561 -1.354 -34.303 1.00 9.87 H ATOM 95 2HD LYS A 6 -33.074 -2.560 -35.479 1.00 9.87 H ATOM 96 CE LYS A 6 -32.566 -3.397 -33.576 1.00 9.87 C ATOM 97 1HE LYS A 6 -33.634 -3.620 -33.540 1.00 9.87 H ATOM 98 2HE LYS A 6 -32.046 -4.316 -33.853 1.00 9.87 H ATOM 99 NZ LYS A 6 -32.143 -2.985 -32.188 1.00 9.87 N ATOM 100 1HZ LYS A 6 -32.382 -3.698 -31.516 1.00 9.87 H ATOM 101 2HZ LYS A 6 -32.605 -2.117 -31.927 1.00 9.87 H ATOM 102 3HZ LYS A 6 -31.143 -2.817 -32.145 1.00 9.87 H ATOM 103 N ASN A 7 -30.837 1.172 -33.618 1.00 5.94 N ATOM 104 H ASN A 7 -30.267 0.920 -32.818 1.00 5.94 H ATOM 105 CA ASN A 7 -31.905 2.156 -33.432 1.00 5.94 C ATOM 106 HA ASN A 7 -32.653 2.024 -34.215 1.00 5.94 H ATOM 107 C ASN A 7 -31.398 3.588 -33.543 1.00 5.94 C ATOM 108 O ASN A 7 -32.162 4.467 -33.913 1.00 5.94 O ATOM 109 CB ASN A 7 -32.597 1.976 -32.080 1.00 5.94 C ATOM 110 1HB ASN A 7 -31.851 1.886 -31.291 1.00 5.94 H ATOM 111 2HB ASN A 7 -33.203 2.859 -31.882 1.00 5.94 H ATOM 112 CG ASN A 7 -33.507 0.780 -32.054 1.00 5.94 C ATOM 113 OD1 ASN A 7 -33.081 -0.339 -31.813 1.00 5.94 O ATOM 114 ND2 ASN A 7 -34.759 0.990 -32.334 1.00 5.94 N ATOM 115 1HD2 ASN A 7 -35.411 0.230 -32.281 1.00 5.94 H ATOM 116 2HD2 ASN A 7 -35.060 1.922 -32.612 1.00 5.94 H ATOM 117 N VAL A 8 -30.120 3.850 -33.313 1.00 42.06 N ATOM 118 H VAL A 8 -29.503 3.120 -32.967 1.00 42.06 H ATOM 119 CA VAL A 8 -29.575 5.190 -33.565 1.00 42.06 C ATOM 120 HA VAL A 8 -30.185 5.929 -33.046 1.00 42.06 H ATOM 121 C VAL A 8 -29.696 5.442 -35.067 1.00 42.06 C ATOM 122 O VAL A 8 -30.139 6.499 -35.501 1.00 42.06 O ATOM 123 CB VAL A 8 -28.097 5.328 -33.089 1.00 42.06 C ATOM 124 HB VAL A 8 -27.501 4.556 -33.572 1.00 42.06 H ATOM 125 CG1 VAL A 8 -27.505 6.694 -33.455 1.00 42.06 C ATOM 126 1HG1 VAL A 8 -26.476 6.760 -33.097 1.00 42.06 H ATOM 127 2HG1 VAL A 8 -28.093 7.493 -33.002 1.00 42.06 H ATOM 128 3HG1 VAL A 8 -27.495 6.826 -34.538 1.00 42.06 H ATOM 129 CG2 VAL A 8 -28.000 5.146 -31.565 1.00 42.06 C ATOM 130 1HG2 VAL A 8 -26.958 5.216 -31.250 1.00 42.06 H ATOM 131 2HG2 VAL A 8 -28.379 4.173 -31.270 1.00 42.06 H ATOM 132 3HG2 VAL A 8 -28.579 5.918 -31.054 1.00 42.06 H ATOM 133 N ALA A 9 -29.429 4.420 -35.865 1.00 11.73 N ATOM 134 H ALA A 9 -29.090 3.551 -35.453 1.00 11.73 H ATOM 135 CA ALA A 9 -29.565 4.485 -37.318 1.00 11.73 C ATOM 136 HA ALA A 9 -29.058 5.390 -37.659 1.00 11.73 H ATOM 137 C ALA A 9 -31.015 4.560 -37.833 1.00 11.73 C ATOM 138 O ALA A 9 -31.240 4.446 -39.042 1.00 11.73 O ATOM 139 CB ALA A 9 -28.845 3.270 -37.925 1.00 11.73 C ATOM 140 1HB ALA A 9 -27.813 3.242 -37.571 1.00 11.73 H ATOM 141 2HB ALA A 9 -28.841 3.350 -39.012 1.00 11.73 H ATOM 142 3HB ALA A 9 -29.350 2.351 -37.623 1.00 11.73 H ATOM 143 N LYS A 10 -31.994 4.694 -36.943 1.00 -3.95 N ATOM 144 H LYS A 10 -31.744 4.737 -35.961 1.00 -3.95 H ATOM 145 CA LYS A 10 -33.409 4.824 -37.322 1.00 -3.95 C ATOM 146 HA LYS A 10 -33.470 5.069 -38.381 1.00 -3.95 H ATOM 147 C LYS A 10 -34.138 5.939 -36.583 1.00 -3.95 C ATOM 148 O LYS A 10 -34.750 6.801 -37.200 1.00 -3.95 O ATOM 149 CB LYS A 10 -34.152 3.499 -37.067 1.00 -3.95 C ATOM 150 1HB LYS A 10 -34.048 3.246 -36.012 1.00 -3.95 H ATOM 151 2HB LYS A 10 -35.212 3.647 -37.277 1.00 -3.95 H ATOM 152 CG LYS A 10 -33.654 2.306 -37.888 1.00 -3.95 C ATOM 153 1HG LYS A 10 -32.584 2.207 -37.729 1.00 -3.95 H ATOM 154 2HG LYS A 10 -34.135 1.397 -37.527 1.00 -3.95 H ATOM 155 CD LYS A 10 -33.944 2.451 -39.390 1.00 -3.95 C ATOM 156 1HD LYS A 10 -35.013 2.317 -39.559 1.00 -3.95 H ATOM 157 2HD LYS A 10 -33.667 3.447 -39.729 1.00 -3.95 H ATOM 158 CE LYS A 10 -33.161 1.445 -40.225 1.00 -3.95 C ATOM 159 1HE LYS A 10 -33.367 0.433 -39.870 1.00 -3.95 H ATOM 160 2HE LYS A 10 -33.482 1.529 -41.266 1.00 -3.95 H ATOM 161 NZ LYS A 10 -31.686 1.738 -40.135 1.00 -3.95 N ATOM 162 1HZ LYS A 10 -31.177 1.199 -40.820 1.00 -3.95 H ATOM 163 2HZ LYS A 10 -31.350 1.515 -39.208 1.00 -3.95 H ATOM 164 3HZ LYS A 10 -31.524 2.730 -40.291 1.00 -3.95 H ATOM 165 N ASN A 11 -34.083 5.916 -35.263 1.00 -0.90 N ATOM 166 H ASN A 11 -33.492 5.230 -34.795 1.00 -0.90 H ATOM 167 CA ASN A 11 -34.932 6.757 -34.427 1.00 -0.90 C ATOM 168 HA ASN A 11 -35.809 7.041 -35.010 1.00 -0.90 H ATOM 169 C ASN A 11 -34.230 8.034 -33.973 1.00 -0.90 C ATOM 170 O ASN A 11 -34.854 8.922 -33.396 1.00 -0.90 O ATOM 171 CB ASN A 11 -35.401 5.948 -33.213 1.00 -0.90 C ATOM 172 1HB ASN A 11 -34.551 5.787 -32.552 1.00 -0.90 H ATOM 173 2HB ASN A 11 -36.164 6.510 -32.675 1.00 -0.90 H ATOM 174 CG ASN A 11 -35.949 4.592 -33.595 1.00 -0.90 C ATOM 175 OD1 ASN A 11 -35.243 3.595 -33.515 1.00 -0.90 O ATOM 176 ND2 ASN A 11 -37.172 4.526 -34.023 1.00 -0.90 N ATOM 177 1HD2 ASN A 11 -37.553 3.638 -34.286 1.00 -0.90 H ATOM 178 2HD2 ASN A 11 -37.748 5.371 -34.082 1.00 -0.90 H ATOM 179 N LEU A 12 -32.944 8.176 -34.280 1.00 -9.83 N ATOM 180 H LEU A 12 -32.431 7.413 -34.699 1.00 -9.83 H ATOM 181 CA LEU A 12 -32.255 9.449 -34.037 1.00 -9.83 C ATOM 182 HA LEU A 12 -32.404 9.747 -33.000 1.00 -9.83 H ATOM 183 C LEU A 12 -32.870 10.503 -34.948 1.00 -9.83 C ATOM 184 O LEU A 12 -33.004 11.661 -34.575 1.00 -9.83 O ATOM 185 CB LEU A 12 -30.753 9.351 -34.322 1.00 -9.83 C ATOM 186 1HB LEU A 12 -30.344 8.533 -33.731 1.00 -9.83 H ATOM 187 2HB LEU A 12 -30.637 9.096 -35.375 1.00 -9.83 H ATOM 188 CG LEU A 12 -29.899 10.605 -34.059 1.00 -9.83 C ATOM 189 HG LEU A 12 -30.330 11.437 -34.612 1.00 -9.83 H ATOM 190 CD1 LEU A 12 -29.851 10.985 -32.578 1.00 -9.83 C ATOM 191 1HD1 LEU A 12 -29.218 11.864 -32.446 1.00 -9.83 H ATOM 192 2HD1 LEU A 12 -29.453 10.160 -31.986 1.00 -9.83 H ATOM 193 3HD1 LEU A 12 -30.851 11.234 -32.228 1.00 -9.83 H ATOM 194 CD2 LEU A 12 -28.479 10.402 -34.574 1.00 -9.83 C ATOM 195 1HD2 LEU A 12 -27.915 11.329 -34.463 1.00 -9.83 H ATOM 196 2HD2 LEU A 12 -28.502 10.139 -35.632 1.00 -9.83 H ATOM 197 3HD2 LEU A 12 -27.981 9.610 -34.018 1.00 -9.83 H ATOM 198 N ALA A 13 -33.322 10.072 -36.118 1.00 3.90 N ATOM 199 H ALA A 13 -33.208 9.104 -36.369 1.00 3.90 H ATOM 200 CA ALA A 13 -34.008 10.961 -37.048 1.00 3.90 C ATOM 201 HA ALA A 13 -33.344 11.793 -37.291 1.00 3.90 H ATOM 202 C ALA A 13 -35.272 11.542 -36.406 1.00 3.90 C ATOM 203 O ALA A 13 -35.661 12.661 -36.701 1.00 3.90 O ATOM 204 CB ALA A 13 -34.351 10.199 -38.334 1.00 3.90 C ATOM 205 1HB ALA A 13 -33.436 9.830 -38.800 1.00 3.90 H ATOM 206 2HB ALA A 13 -34.855 10.873 -39.027 1.00 3.90 H ATOM 207 3HB ALA A 13 -35.007 9.357 -38.107 1.00 3.90 H ATOM 208 N GLY A 14 -35.906 10.802 -35.509 1.00 16.54 N ATOM 209 H GLY A 14 -35.594 9.866 -35.291 1.00 16.54 H ATOM 210 CA GLY A 14 -37.043 11.339 -34.786 1.00 16.54 C ATOM 211 1HA GLY A 14 -37.644 11.951 -35.454 1.00 16.54 H ATOM 212 2HA GLY A 14 -37.647 10.522 -34.419 1.00 16.54 H ATOM 213 C GLY A 14 -36.637 12.182 -33.610 1.00 16.54 C ATOM 214 O GLY A 14 -37.285 13.172 -33.351 1.00 16.54 O ATOM 215 N HIS A 15 -35.559 11.837 -32.925 1.00 -6.38 N ATOM 216 H HIS A 15 -35.062 10.990 -33.175 1.00 -6.38 H ATOM 217 CA HIS A 15 -35.064 12.654 -31.818 1.00 -6.38 C ATOM 218 HA HIS A 15 -35.849 12.759 -31.070 1.00 -6.38 H ATOM 219 C HIS A 15 -34.676 14.057 -32.291 1.00 -6.38 C ATOM 220 O HIS A 15 -35.029 15.052 -31.666 1.00 -6.38 O ATOM 221 CB HIS A 15 -33.855 11.953 -31.190 1.00 -6.38 C ATOM 222 1HB HIS A 15 -34.177 10.991 -30.789 1.00 -6.38 H ATOM 223 2HB HIS A 15 -33.117 11.770 -31.967 1.00 -6.38 H ATOM 224 CG HIS A 15 -33.189 12.740 -30.105 1.00 -6.38 C ATOM 225 ND1 HIS A 15 -33.850 13.419 -29.110 1.00 -6.38 N ATOM 226 HD1 HIS A 15 -34.851 13.502 -29.007 1.00 -6.38 H ATOM 227 CD2 HIS A 15 -31.870 12.969 -29.870 1.00 -6.38 C ATOM 228 HD2 HIS A 15 -31.059 12.591 -30.475 1.00 -6.38 H ATOM 229 CE1 HIS A 15 -32.937 13.998 -28.327 1.00 -6.38 C ATOM 230 HE1 HIS A 15 -33.168 14.605 -27.462 1.00 -6.38 H ATOM 231 NE2 HIS A 15 -31.713 13.744 -28.745 1.00 -6.38 N ATOM 232 N MET A 16 -33.992 14.142 -33.423 1.00 -9.41 N ATOM 233 H MET A 16 -33.735 13.288 -33.914 1.00 -9.41 H ATOM 234 CA MET A 16 -33.568 15.429 -33.976 1.00 -9.41 C ATOM 235 HA MET A 16 -33.105 16.022 -33.188 1.00 -9.41 H ATOM 236 C MET A 16 -34.728 16.238 -34.552 1.00 -9.41 C ATOM 237 O MET A 16 -34.636 17.452 -34.717 1.00 -9.41 O ATOM 238 CB MET A 16 -32.544 15.194 -35.089 1.00 -9.41 C ATOM 239 1HB MET A 16 -32.990 14.543 -35.841 1.00 -9.41 H ATOM 240 2HB MET A 16 -32.316 16.153 -35.553 1.00 -9.41 H ATOM 241 CG MET A 16 -31.241 14.566 -34.602 1.00 -9.41 C ATOM 242 1HG MET A 16 -30.773 15.231 -33.876 1.00 -9.41 H ATOM 243 2HG MET A 16 -31.464 13.621 -34.110 1.00 -9.41 H ATOM 244 SD MET A 16 -30.078 14.245 -35.950 1.00 -9.41 S ATOM 245 CE MET A 16 -29.483 15.901 -36.357 1.00 -9.41 C ATOM 246 1HE MET A 16 -28.737 15.834 -37.149 1.00 -9.41 H ATOM 247 2HE MET A 16 -29.033 16.356 -35.474 1.00 -9.41 H ATOM 248 3HE MET A 16 -30.314 16.518 -36.699 1.00 -9.41 H ATOM 249 N LEU A 17 -35.819 15.559 -34.874 1.00 -2.17 N ATOM 250 H LEU A 17 -35.847 14.564 -34.695 1.00 -2.17 H ATOM 251 CA LEU A 17 -36.985 16.179 -35.499 1.00 -2.17 C ATOM 252 HA LEU A 17 -36.825 17.252 -35.594 1.00 -2.17 H ATOM 253 C LEU A 17 -38.204 15.948 -34.621 1.00 -2.17 C ATOM 254 O LEU A 17 -39.306 15.748 -35.125 1.00 -2.17 O ATOM 255 CB LEU A 17 -37.221 15.596 -36.899 1.00 -2.17 C ATOM 256 1HB LEU A 17 -37.420 14.532 -36.782 1.00 -2.17 H ATOM 257 2HB LEU A 17 -38.117 16.058 -37.313 1.00 -2.17 H ATOM 258 CG LEU A 17 -36.105 15.753 -37.945 1.00 -2.17 C ATOM 259 HG LEU A 17 -35.188 15.316 -37.553 1.00 -2.17 H ATOM 260 CD1 LEU A 17 -36.492 14.991 -39.213 1.00 -2.17 C ATOM 261 1HD1 LEU A 17 -35.688 15.071 -39.945 1.00 -2.17 H ATOM 262 2HD1 LEU A 17 -37.410 15.397 -39.637 1.00 -2.17 H ATOM 263 3HD1 LEU A 17 -36.632 13.937 -38.972 1.00 -2.17 H ATOM 264 CD2 LEU A 17 -35.829 17.215 -38.294 1.00 -2.17 C ATOM 265 1HD2 LEU A 17 -35.055 17.272 -39.061 1.00 -2.17 H ATOM 266 2HD2 LEU A 17 -35.466 17.743 -37.410 1.00 -2.17 H ATOM 267 3HD2 LEU A 17 -36.735 17.699 -38.658 1.00 -2.17 H ATOM 268 N ASP A 18 -38.025 15.986 -33.309 1.00 45.33 N ATOM 269 H ASP A 18 -37.107 16.225 -32.938 1.00 45.33 H ATOM 270 CA ASP A 18 -39.077 15.643 -32.340 1.00 45.33 C ATOM 271 HA ASP A 18 -39.377 14.611 -32.501 1.00 45.33 H ATOM 272 C ASP A 18 -40.304 16.530 -32.474 1.00 45.33 C ATOM 273 O ASP A 18 -41.446 16.123 -32.222 1.00 45.33 O ATOM 274 CB ASP A 18 -38.552 15.802 -30.910 1.00 45.33 C ATOM 275 1HB ASP A 18 -39.313 15.439 -30.220 1.00 45.33 H ATOM 276 2HB ASP A 18 -37.652 15.200 -30.785 1.00 45.33 H ATOM 277 CG ASP A 18 -38.246 17.251 -30.575 1.00 45.33 C ATOM 278 OD1 ASP A 18 -38.993 17.887 -29.802 1.00 45.33 O ATOM 279 OD2 ASP A 18 -37.328 17.825 -31.196 1.00 45.33 O ATOM 280 N LYS A 19 -40.061 17.744 -32.941 1.00 2.11 N ATOM 281 H LYS A 19 -39.096 17.991 -33.127 1.00 2.11 H ATOM 282 CA LYS A 19 -41.119 18.721 -33.165 1.00 2.11 C ATOM 283 HA LYS A 19 -41.680 18.835 -32.241 1.00 2.11 H ATOM 284 C LYS A 19 -42.093 18.249 -34.237 1.00 2.11 C ATOM 285 O LYS A 19 -43.269 18.592 -34.162 1.00 2.11 O ATOM 286 CB LYS A 19 -40.513 20.079 -33.531 1.00 2.11 C ATOM 287 1HB LYS A 19 -39.850 19.957 -34.388 1.00 2.11 H ATOM 288 2HB LYS A 19 -41.322 20.752 -33.816 1.00 2.11 H ATOM 289 CG LYS A 19 -39.738 20.718 -32.372 1.00 2.11 C ATOM 290 1HG LYS A 19 -40.108 21.732 -32.220 1.00 2.11 H ATOM 291 2HG LYS A 19 -39.927 20.144 -31.465 1.00 2.11 H ATOM 292 CD LYS A 19 -38.231 20.777 -32.632 1.00 2.11 C ATOM 293 1HD LYS A 19 -37.862 19.776 -32.857 1.00 2.11 H ATOM 294 2HD LYS A 19 -38.048 21.416 -33.497 1.00 2.11 H ATOM 295 CE LYS A 19 -37.457 21.332 -31.430 1.00 2.11 C ATOM 296 1HE LYS A 19 -36.415 21.465 -31.726 1.00 2.11 H ATOM 297 2HE LYS A 19 -37.868 22.306 -31.161 1.00 2.11 H ATOM 298 NZ LYS A 19 -37.501 20.420 -30.232 1.00 2.11 N ATOM 299 1HZ LYS A 19 -36.932 20.778 -29.482 1.00 2.11 H ATOM 300 2HZ LYS A 19 -37.160 19.494 -30.496 1.00 2.11 H ATOM 301 3HZ LYS A 19 -38.452 20.287 -29.914 1.00 2.11 H ATOM 302 N LEU A 20 -41.628 17.432 -35.173 1.00 1.70 N ATOM 303 H LEU A 20 -40.666 17.112 -35.109 1.00 1.70 H ATOM 304 CA LEU A 20 -42.447 16.956 -36.290 1.00 1.70 C ATOM 305 HA LEU A 20 -43.474 17.284 -36.137 1.00 1.70 H ATOM 306 C LEU A 20 -42.502 15.439 -36.464 1.00 1.70 C ATOM 307 O LEU A 20 -43.574 14.863 -36.366 1.00 1.70 O ATOM 308 CB LEU A 20 -41.938 17.575 -37.599 1.00 1.70 C ATOM 309 1HB LEU A 20 -40.902 17.267 -37.738 1.00 1.70 H ATOM 310 2HB LEU A 20 -42.521 17.148 -38.415 1.00 1.70 H ATOM 311 CG LEU A 20 -41.990 19.106 -37.745 1.00 1.70 C ATOM 312 HG LEU A 20 -41.439 19.555 -36.920 1.00 1.70 H ATOM 313 CD1 LEU A 20 -41.309 19.515 -39.047 1.00 1.70 C ATOM 314 1HD1 LEU A 20 -41.308 20.602 -39.135 1.00 1.70 H ATOM 315 2HD1 LEU A 20 -41.836 19.090 -39.903 1.00 1.70 H ATOM 316 3HD1 LEU A 20 -40.275 19.169 -39.053 1.00 1.70 H ATOM 317 CD2 LEU A 20 -43.419 19.648 -37.722 1.00 1.70 C ATOM 318 1HD2 LEU A 20 -43.407 20.729 -37.871 1.00 1.70 H ATOM 319 2HD2 LEU A 20 -43.884 19.446 -36.756 1.00 1.70 H ATOM 320 3HD2 LEU A 20 -44.015 19.189 -38.512 1.00 1.70 H ATOM 321 N LYS A 21 -41.381 14.768 -36.704 1.00 10.65 N ATOM 322 H LYS A 21 -40.487 15.247 -36.605 1.00 10.65 H ATOM 323 CA LYS A 21 -41.389 13.356 -37.118 1.00 10.65 C ATOM 324 HA LYS A 21 -41.991 13.269 -38.023 1.00 10.65 H ATOM 325 C LYS A 21 -42.031 12.451 -36.079 1.00 10.65 C ATOM 326 O LYS A 21 -42.846 11.593 -36.423 1.00 10.65 O ATOM 327 CB LYS A 21 -39.967 12.866 -37.433 1.00 10.65 C ATOM 328 1HB LYS A 21 -39.528 13.523 -38.184 1.00 10.65 H ATOM 329 2HB LYS A 21 -39.367 12.919 -36.525 1.00 10.65 H ATOM 330 CG LYS A 21 -39.948 11.433 -37.959 1.00 10.65 C ATOM 331 1HG LYS A 21 -40.395 10.791 -37.208 1.00 10.65 H ATOM 332 2HG LYS A 21 -40.558 11.388 -38.861 1.00 10.65 H ATOM 333 CD LYS A 21 -38.566 10.888 -38.284 1.00 10.65 C ATOM 334 1HD LYS A 21 -38.121 11.489 -39.079 1.00 10.65 H ATOM 335 2HD LYS A 21 -37.938 10.954 -37.404 1.00 10.65 H ATOM 336 CE LYS A 21 -38.637 9.424 -38.737 1.00 10.65 C ATOM 337 1HE LYS A 21 -39.275 9.367 -39.621 1.00 10.65 H ATOM 338 2HE LYS A 21 -37.633 9.097 -39.017 1.00 10.65 H ATOM 339 NZ LYS A 21 -39.177 8.483 -37.693 1.00 10.65 N ATOM 340 1HZ LYS A 21 -39.243 7.544 -38.055 1.00 10.65 H ATOM 341 2HZ LYS A 21 -40.096 8.782 -37.383 1.00 10.65 H ATOM 342 3HZ LYS A 21 -38.567 8.468 -36.875 1.00 10.65 H ATOM 343 N CYS A 22 -41.765 12.712 -34.807 1.00 12.89 N ATOM 344 H CYS A 22 -41.126 13.458 -34.573 1.00 12.89 H ATOM 345 CA CYS A 22 -42.371 11.929 -33.731 1.00 12.89 C ATOM 346 HA CYS A 22 -42.114 10.885 -33.880 1.00 12.89 H ATOM 347 C CYS A 22 -43.897 12.016 -33.688 1.00 12.89 C ATOM 348 O CYS A 22 -44.541 11.166 -33.090 1.00 12.89 O ATOM 349 CB CYS A 22 -41.825 12.369 -32.372 1.00 12.89 C ATOM 350 1HB CYS A 22 -41.970 13.444 -32.269 1.00 12.89 H ATOM 351 2HB CYS A 22 -42.406 11.874 -31.593 1.00 12.89 H ATOM 352 SG CYS A 22 -40.068 11.984 -32.087 1.00 12.89 S ATOM 353 N LYS A 23 -44.480 13.019 -34.333 1.00 -9.44 N ATOM 354 H LYS A 23 -43.914 13.680 -34.858 1.00 -9.44 H ATOM 355 CA LYS A 23 -45.930 13.216 -34.343 1.00 -9.44 C ATOM 356 HA LYS A 23 -46.382 12.629 -33.543 1.00 -9.44 H ATOM 357 C LYS A 23 -46.558 12.777 -35.662 1.00 -9.44 C ATOM 358 O LYS A 23 -47.743 12.984 -35.879 1.00 -9.44 O ATOM 359 CB LYS A 23 -46.238 14.698 -34.111 1.00 -9.44 C ATOM 360 1HB LYS A 23 -45.849 15.272 -34.953 1.00 -9.44 H ATOM 361 2HB LYS A 23 -47.320 14.830 -34.076 1.00 -9.44 H ATOM 362 CG LYS A 23 -45.633 15.250 -32.829 1.00 -9.44 C ATOM 363 1HG LYS A 23 -45.967 14.646 -31.986 1.00 -9.44 H ATOM 364 2HG LYS A 23 -44.546 15.206 -32.893 1.00 -9.44 H ATOM 365 CD LYS A 23 -46.061 16.692 -32.611 1.00 -9.44 C ATOM 366 1HD LYS A 23 -45.757 17.293 -33.470 1.00 -9.44 H ATOM 367 2HD LYS A 23 -47.148 16.728 -32.525 1.00 -9.44 H ATOM 368 CE LYS A 23 -45.442 17.271 -31.344 1.00 -9.44 C ATOM 369 1HE LYS A 23 -45.890 18.249 -31.155 1.00 -9.44 H ATOM 370 2HE LYS A 23 -45.668 16.614 -30.502 1.00 -9.44 H ATOM 371 NZ LYS A 23 -43.959 17.431 -31.477 1.00 -9.44 N ATOM 372 1HZ LYS A 23 -43.572 17.852 -30.645 1.00 -9.44 H ATOM 373 2HZ LYS A 23 -43.753 18.013 -32.282 1.00 -9.44 H ATOM 374 3HZ LYS A 23 -43.510 16.532 -31.621 1.00 -9.44 H ATOM 375 N ILE A 24 -45.743 12.219 -36.548 1.00-23.27 N ATOM 376 H ILE A 24 -44.771 12.092 -36.307 1.00-23.27 H ATOM 377 CA ILE A 24 -46.193 11.819 -37.886 1.00-23.27 C ATOM 378 HA ILE A 24 -47.266 11.991 -37.976 1.00-23.27 H ATOM 379 C ILE A 24 -45.947 10.326 -38.105 1.00-23.27 C ATOM 380 O ILE A 24 -46.842 9.600 -38.512 1.00-23.27 O ATOM 381 CB ILE A 24 -45.469 12.653 -39.000 1.00-23.27 C ATOM 382 HB ILE A 24 -44.395 12.491 -38.908 1.00-23.27 H ATOM 383 CG1 ILE A 24 -45.757 14.161 -38.826 1.00-23.27 C ATOM 384 1HG1 ILE A 24 -46.794 14.351 -39.105 1.00-23.27 H ATOM 385 2HG1 ILE A 24 -45.649 14.432 -37.780 1.00-23.27 H ATOM 386 CG2 ILE A 24 -45.925 12.212 -40.420 1.00-23.27 C ATOM 387 1HG2 ILE A 24 -45.376 12.758 -41.185 1.00-23.27 H ATOM 388 2HG2 ILE A 24 -46.995 12.398 -40.544 1.00-23.27 H ATOM 389 3HG2 ILE A 24 -45.744 11.149 -40.569 1.00-23.27 H ATOM 390 CD1 ILE A 24 -44.848 15.104 -39.634 1.00-23.27 C ATOM 391 1HD1 ILE A 24 -45.077 16.136 -39.368 1.00-23.27 H ATOM 392 2HD1 ILE A 24 -45.018 14.972 -40.702 1.00-23.27 H ATOM 393 3HD1 ILE A 24 -43.802 14.900 -39.400 1.00-23.27 H ATOM 394 N THR A 25 -44.739 9.852 -37.825 1.00 0.19 N ATOM 395 H THR A 25 -44.014 10.476 -37.483 1.00 0.19 H ATOM 396 CA THR A 25 -44.377 8.450 -38.069 1.00 0.19 C ATOM 397 HA THR A 25 -45.221 7.903 -38.490 1.00 0.19 H ATOM 398 C THR A 25 -43.927 7.746 -36.800 1.00 0.19 C ATOM 399 O THR A 25 -43.419 6.631 -36.836 1.00 0.19 O ATOM 400 CB THR A 25 -43.184 8.367 -39.045 1.00 0.19 C ATOM 401 HB THR A 25 -42.896 7.325 -39.184 1.00 0.19 H ATOM 402 OG1 THR A 25 -42.087 9.109 -38.505 1.00 0.19 O ATOM 403 HG1 THR A 25 -42.050 8.946 -37.549 1.00 0.19 H ATOM 404 CG2 THR A 25 -43.503 8.981 -40.398 1.00 0.19 C ATOM 405 1HG2 THR A 25 -42.694 8.754 -41.090 1.00 0.19 H ATOM 406 2HG2 THR A 25 -43.598 10.062 -40.305 1.00 0.19 H ATOM 407 3HG2 THR A 25 -44.433 8.563 -40.787 1.00 0.19 H ATOM 408 N GLY A 26 -43.991 8.465 -35.691 1.00 3.49 N ATOM 409 H GLY A 26 -44.483 9.341 -35.688 1.00 3.49 H ATOM 410 CA GLY A 26 -43.256 8.064 -34.505 1.00 3.49 C ATOM 411 1HA GLY A 26 -43.679 8.558 -33.630 1.00 3.49 H ATOM 412 2HA GLY A 26 -43.305 6.983 -34.372 1.00 3.49 H ATOM 413 C GLY A 26 -41.809 8.490 -34.675 1.00 3.49 C ATOM 414 O GLY A 26 -41.408 8.957 -35.751 1.00 3.49 O ATOM 415 N CYS A 27 -41.029 8.406 -33.609 1.00 0.43 N ATOM 416 H CYS A 27 -41.375 7.990 -32.762 1.00 0.43 H ATOM 417 CA CYS A 27 -39.651 8.881 -33.641 1.00 0.43 C ATOM 418 HA CYS A 27 -39.619 9.840 -34.154 1.00 0.43 H ATOM 419 C CYS A 27 -38.774 7.888 -34.397 1.00 0.43 C ATOM 420 O CYS A 27 -37.923 8.300 -35.211 1.00 0.43 O ATOM 421 OXT CYS A 27 -38.965 6.687 -34.166 1.00 0.43 O ATOM 422 CB CYS A 27 -39.122 9.052 -32.216 1.00 0.43 C ATOM 423 1HB CYS A 27 -39.100 8.069 -31.744 1.00 0.43 H ATOM 424 2HB CYS A 27 -38.096 9.415 -32.272 1.00 0.43 H ATOM 425 SG CYS A 27 -40.089 10.179 -31.155 1.00 0.43 S TER 426 CYS A 27 CONECT 352 349 425 CONECT 425 352 422 END
SEQUENCE	LMDTVKNVAKNLAGHMLDKLKCKITGC
HELICITY	85.20	INSTAB. INDEX	-12.73	FLEXIBILITY	12.60
a HYD. MOM.	61.31	b HYD. MOM.	32.32	c HYD. MOM	4.75
a MEAN HYD. MOM.	2.27	b MEAN HYD. MOM.	1.20	c MEAN HYD. MOM.	0.18
CHARGE pH5	4.05	CHARGE pH7	3.00	CHARGE pH9	1.03
Δ CHARGE pH5-pH9	3.01	ISOELECTRIC POINT	9.24	BOMAN INDEX	0.85
ΔG	21	CPP	-0,34	MLP	-9,80
MOLECULAR VOLUME		POLARITY
MIC E. coli	13	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	50	MIC M. luteus		MIC B. subtilis
MIC C. albicans	67	OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Rana	SPECIES	Rana pipiens
DATE	2000
TITLE PAPER	Peptides with antimicrobial activity from four different families isolated from the skins of the North American frogs Rana luteiventris, Rana berlandieri and Rana pipiens