Back to Resultset

ID	1674	NAME	Ranatuerin-2CHb   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\GLMDTIKGVAKNVAASLLEKLKCKVTGC.pdb REMARK YASARA Written on: Wed May 14 13:52:15 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 424 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 LEU MET ASP THR ILE LYS GLY VAL ALA LYS ASN VAL SEQRES 2 A 28 ALA ALA SER LEU LEU GLU LYS LEU LYS CYS LYS VAL THR SEQRES 3 A 28 GLY 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 -17.420 0.947 -27.389 1.00-20.93 N ATOM 2 1H GLY A 1 -17.444 0.367 -26.564 1.00-20.93 H ATOM 3 2H GLY A 1 -18.367 1.138 -27.686 1.00-20.93 H ATOM 4 3H GLY A 1 -16.955 1.819 -27.183 1.00-20.93 H ATOM 5 CA GLY A 1 -16.702 0.246 -28.474 1.00-20.93 C ATOM 6 1HA GLY A 1 -15.700 -0.014 -28.143 1.00-20.93 H ATOM 7 2HA GLY A 1 -17.254 -0.659 -28.730 1.00-20.93 H ATOM 8 C GLY A 1 -16.612 1.125 -29.693 1.00-20.93 C ATOM 9 O GLY A 1 -16.803 2.322 -29.533 1.00-20.93 O ATOM 10 N LEU A 2 -16.311 0.586 -30.869 1.00-16.49 N ATOM 11 H LEU A 2 -16.175 -0.410 -30.947 1.00-16.49 H ATOM 12 CA LEU A 2 -16.137 1.396 -32.082 1.00-16.49 C ATOM 13 HA LEU A 2 -16.208 2.453 -31.827 1.00-16.49 H ATOM 14 C LEU A 2 -17.185 1.114 -33.160 1.00-16.49 C ATOM 15 O LEU A 2 -17.112 1.651 -34.254 1.00-16.49 O ATOM 16 CB LEU A 2 -14.742 1.140 -32.672 1.00-16.49 C ATOM 17 1HB LEU A 2 -14.691 0.089 -32.959 1.00-16.49 H ATOM 18 2HB LEU A 2 -14.648 1.732 -33.582 1.00-16.49 H ATOM 19 CG LEU A 2 -13.517 1.453 -31.796 1.00-16.49 C ATOM 20 HG LEU A 2 -13.590 0.877 -30.873 1.00-16.49 H ATOM 21 CD1 LEU A 2 -12.247 1.021 -32.522 1.00-16.49 C ATOM 22 1HD1 LEU A 2 -11.378 1.205 -31.890 1.00-16.49 H ATOM 23 2HD1 LEU A 2 -12.135 1.580 -33.453 1.00-16.49 H ATOM 24 3HD1 LEU A 2 -12.290 -0.044 -32.750 1.00-16.49 H ATOM 25 CD2 LEU A 2 -13.417 2.934 -31.429 1.00-16.49 C ATOM 26 1HD2 LEU A 2 -12.516 3.111 -30.843 1.00-16.49 H ATOM 27 2HD2 LEU A 2 -14.279 3.234 -30.834 1.00-16.49 H ATOM 28 3HD2 LEU A 2 -13.379 3.544 -32.334 1.00-16.49 H ATOM 29 N MET A 3 -18.154 0.263 -32.856 1.00 1.27 N ATOM 30 H MET A 3 -18.254 -0.090 -31.905 1.00 1.27 H ATOM 31 CA MET A 3 -19.137 -0.188 -33.851 1.00 1.27 C ATOM 32 HA MET A 3 -18.880 0.187 -34.841 1.00 1.27 H ATOM 33 C MET A 3 -20.499 0.351 -33.440 1.00 1.27 C ATOM 34 O MET A 3 -21.540 0.049 -34.006 1.00 1.27 O ATOM 35 CB MET A 3 -19.184 -1.720 -33.876 1.00 1.27 C ATOM 36 1HB MET A 3 -19.538 -2.064 -32.904 1.00 1.27 H ATOM 37 2HB MET A 3 -19.902 -2.039 -34.631 1.00 1.27 H ATOM 38 CG MET A 3 -17.837 -2.390 -34.153 1.00 1.27 C ATOM 39 1HG MET A 3 -17.131 -2.076 -33.386 1.00 1.27 H ATOM 40 2HG MET A 3 -17.959 -3.470 -34.078 1.00 1.27 H ATOM 41 SD MET A 3 -17.125 -2.005 -35.769 1.00 1.27 S ATOM 42 CE MET A 3 -18.116 -3.020 -36.887 1.00 1.27 C ATOM 43 1HE MET A 3 -17.790 -2.851 -37.914 1.00 1.27 H ATOM 44 2HE MET A 3 -19.168 -2.753 -36.797 1.00 1.27 H ATOM 45 3HE MET A 3 -17.986 -4.073 -36.638 1.00 1.27 H ATOM 46 N ASP A 4 -20.464 1.106 -32.357 1.00 5.56 N ATOM 47 H ASP A 4 -19.586 1.509 -32.073 1.00 5.56 H ATOM 48 CA ASP A 4 -21.575 1.175 -31.409 1.00 5.56 C ATOM 49 HA ASP A 4 -22.075 0.207 -31.362 1.00 5.56 H ATOM 50 C ASP A 4 -22.576 2.232 -31.851 1.00 5.56 C ATOM 51 O ASP A 4 -23.645 2.408 -31.278 1.00 5.56 O ATOM 52 CB ASP A 4 -21.040 1.538 -30.015 1.00 5.56 C ATOM 53 1HB ASP A 4 -20.506 2.486 -30.081 1.00 5.56 H ATOM 54 2HB ASP A 4 -21.884 1.664 -29.337 1.00 5.56 H ATOM 55 CG ASP A 4 -20.093 0.487 -29.426 1.00 5.56 C ATOM 56 OD1 ASP A 4 -19.282 -0.150 -30.147 1.00 5.56 O ATOM 57 OD2 ASP A 4 -20.042 0.398 -28.184 1.00 5.56 O ATOM 58 N THR A 5 -22.186 2.965 -32.881 1.00 21.36 N ATOM 59 H THR A 5 -21.290 2.772 -33.300 1.00 21.36 H ATOM 60 CA THR A 5 -22.972 4.072 -33.410 1.00 21.36 C ATOM 61 HA THR A 5 -23.898 4.172 -32.844 1.00 21.36 H ATOM 62 C THR A 5 -23.330 3.838 -34.869 1.00 21.36 C ATOM 63 O THR A 5 -23.777 4.764 -35.552 1.00 21.36 O ATOM 64 CB THR A 5 -22.169 5.382 -33.299 1.00 21.36 C ATOM 65 HB THR A 5 -22.734 6.202 -33.742 1.00 21.36 H ATOM 66 OG1 THR A 5 -20.920 5.222 -33.978 1.00 21.36 O ATOM 67 HG1 THR A 5 -21.081 5.258 -34.925 1.00 21.36 H ATOM 68 CG2 THR A 5 -21.846 5.724 -31.850 1.00 21.36 C ATOM 69 1HG2 THR A 5 -21.370 6.702 -31.811 1.00 21.36 H ATOM 70 2HG2 THR A 5 -21.160 4.985 -31.435 1.00 21.36 H ATOM 71 3HG2 THR A 5 -22.760 5.740 -31.255 1.00 21.36 H ATOM 72 N ILE A 6 -23.098 2.629 -35.364 1.00-14.23 N ATOM 73 H ILE A 6 -22.741 1.892 -34.764 1.00-14.23 H ATOM 74 CA ILE A 6 -23.417 2.296 -36.753 1.00-14.23 C ATOM 75 HA ILE A 6 -23.079 3.105 -37.399 1.00-14.23 H ATOM 76 C ILE A 6 -24.939 2.212 -36.843 1.00-14.23 C ATOM 77 O ILE A 6 -25.601 1.559 -36.043 1.00-14.23 O ATOM 78 CB ILE A 6 -22.730 0.980 -37.220 1.00-14.23 C ATOM 79 HB ILE A 6 -23.001 0.179 -36.531 1.00-14.23 H ATOM 80 CG1 ILE A 6 -21.199 1.179 -37.192 1.00-14.23 C ATOM 81 1HG1 ILE A 6 -20.936 1.932 -37.935 1.00-14.23 H ATOM 82 2HG1 ILE A 6 -20.909 1.563 -36.215 1.00-14.23 H ATOM 83 CG2 ILE A 6 -23.194 0.583 -38.651 1.00-14.23 C ATOM 84 1HG2 ILE A 6 -22.727 -0.355 -38.951 1.00-14.23 H ATOM 85 2HG2 ILE A 6 -22.929 1.360 -39.370 1.00-14.23 H ATOM 86 3HG2 ILE A 6 -24.274 0.425 -38.664 1.00-14.23 H ATOM 87 CD1 ILE A 6 -20.361 -0.071 -37.459 1.00-14.23 C ATOM 88 1HD1 ILE A 6 -19.309 0.158 -37.284 1.00-14.23 H ATOM 89 2HD1 ILE A 6 -20.481 -0.399 -38.491 1.00-14.23 H ATOM 90 3HD1 ILE A 6 -20.668 -0.870 -36.782 1.00-14.23 H ATOM 91 N LYS A 7 -25.482 2.944 -37.803 1.00 14.97 N ATOM 92 H LYS A 7 -24.872 3.424 -38.453 1.00 14.97 H ATOM 93 CA LYS A 7 -26.917 3.134 -37.997 1.00 14.97 C ATOM 94 HA LYS A 7 -27.451 2.187 -37.900 1.00 14.97 H ATOM 95 C LYS A 7 -26.973 3.636 -39.426 1.00 14.97 C ATOM 96 O LYS A 7 -25.909 3.847 -40.016 1.00 14.97 O ATOM 97 CB LYS A 7 -27.461 4.153 -36.985 1.00 14.97 C ATOM 98 1HB LYS A 7 -28.531 4.290 -37.139 1.00 14.97 H ATOM 99 2HB LYS A 7 -27.317 3.721 -35.994 1.00 14.97 H ATOM 100 CG LYS A 7 -26.777 5.519 -37.000 1.00 14.97 C ATOM 101 1HG LYS A 7 -25.702 5.383 -37.075 1.00 14.97 H ATOM 102 2HG LYS A 7 -27.113 6.101 -37.857 1.00 14.97 H ATOM 103 CD LYS A 7 -27.058 6.267 -35.710 1.00 14.97 C ATOM 104 1HD LYS A 7 -28.117 6.524 -35.656 1.00 14.97 H ATOM 105 2HD LYS A 7 -26.804 5.615 -34.872 1.00 14.97 H ATOM 106 CE LYS A 7 -26.200 7.520 -35.619 1.00 14.97 C ATOM 107 1HE LYS A 7 -25.155 7.238 -35.776 1.00 14.97 H ATOM 108 2HE LYS A 7 -26.497 8.220 -36.402 1.00 14.97 H ATOM 109 NZ LYS A 7 -26.335 8.169 -34.270 1.00 14.97 N ATOM 110 1HZ LYS A 7 -25.749 8.992 -34.223 1.00 14.97 H ATOM 111 2HZ LYS A 7 -26.046 7.518 -33.551 1.00 14.97 H ATOM 112 3HZ LYS A 7 -27.297 8.435 -34.108 1.00 14.97 H ATOM 113 N GLY A 8 -28.157 3.867 -39.969 1.00 17.52 N ATOM 114 H GLY A 8 -28.992 3.728 -39.419 1.00 17.52 H ATOM 115 CA GLY A 8 -28.303 4.358 -41.333 1.00 17.52 C ATOM 116 1HA GLY A 8 -27.658 3.771 -41.987 1.00 17.52 H ATOM 117 2HA GLY A 8 -29.335 4.207 -41.648 1.00 17.52 H ATOM 118 C GLY A 8 -27.960 5.826 -41.513 1.00 17.52 C ATOM 119 O GLY A 8 -28.813 6.630 -41.881 1.00 17.52 O ATOM 120 N VAL A 9 -26.707 6.196 -41.280 1.00 7.48 N ATOM 121 H VAL A 9 -26.039 5.471 -41.016 1.00 7.48 H ATOM 122 CA VAL A 9 -26.239 7.586 -41.314 1.00 7.48 C ATOM 123 HA VAL A 9 -26.801 8.142 -40.570 1.00 7.48 H ATOM 124 C VAL A 9 -26.478 8.313 -42.636 1.00 7.48 C ATOM 125 O VAL A 9 -26.683 9.524 -42.637 1.00 7.48 O ATOM 126 CB VAL A 9 -24.732 7.679 -40.926 1.00 7.48 C ATOM 127 HB VAL A 9 -24.417 8.716 -41.018 1.00 7.48 H ATOM 128 CG1 VAL A 9 -24.528 7.253 -39.466 1.00 7.48 C ATOM 129 1HG1 VAL A 9 -23.486 7.416 -39.184 1.00 7.48 H ATOM 130 2HG1 VAL A 9 -24.762 6.196 -39.333 1.00 7.48 H ATOM 131 3HG1 VAL A 9 -25.160 7.854 -38.815 1.00 7.48 H ATOM 132 CG2 VAL A 9 -23.841 6.817 -41.840 1.00 7.48 C ATOM 133 1HG2 VAL A 9 -22.795 6.952 -41.556 1.00 7.48 H ATOM 134 2HG2 VAL A 9 -23.944 7.134 -42.878 1.00 7.48 H ATOM 135 3HG2 VAL A 9 -24.088 5.758 -41.753 1.00 7.48 H ATOM 136 N ALA A 10 -26.606 7.564 -43.725 1.00 6.44 N ATOM 137 H ALA A 10 -26.468 6.570 -43.642 1.00 6.44 H ATOM 138 CA ALA A 10 -26.949 8.110 -45.040 1.00 6.44 C ATOM 139 HA ALA A 10 -26.252 8.920 -45.265 1.00 6.44 H ATOM 140 C ALA A 10 -28.369 8.702 -45.099 1.00 6.44 C ATOM 141 O ALA A 10 -28.761 9.310 -46.099 1.00 6.44 O ATOM 142 CB ALA A 10 -26.777 7.010 -46.098 1.00 6.44 C ATOM 143 1HB ALA A 10 -25.754 6.630 -46.073 1.00 6.44 H ATOM 144 2HB ALA A 10 -26.965 7.428 -47.089 1.00 6.44 H ATOM 145 3HB ALA A 10 -27.474 6.193 -45.913 1.00 6.44 H ATOM 146 N LYS A 11 -29.137 8.512 -44.034 1.00 0.60 N ATOM 147 H LYS A 11 -28.834 7.842 -43.332 1.00 0.60 H ATOM 148 CA LYS A 11 -30.352 9.287 -43.773 1.00 0.60 C ATOM 149 HA LYS A 11 -30.393 10.118 -44.474 1.00 0.60 H ATOM 150 C LYS A 11 -30.344 9.913 -42.384 1.00 0.60 C ATOM 151 O LYS A 11 -30.803 11.029 -42.237 1.00 0.60 O ATOM 152 CB LYS A 11 -31.608 8.419 -43.957 1.00 0.60 C ATOM 153 1HB LYS A 11 -31.533 7.562 -43.286 1.00 0.60 H ATOM 154 2HB LYS A 11 -32.484 9.002 -43.666 1.00 0.60 H ATOM 155 CG LYS A 11 -31.816 7.902 -45.388 1.00 0.60 C ATOM 156 1HG LYS A 11 -30.910 7.389 -45.706 1.00 0.60 H ATOM 157 2HG LYS A 11 -32.633 7.180 -45.392 1.00 0.60 H ATOM 158 CD LYS A 11 -32.153 9.027 -46.383 1.00 0.60 C ATOM 159 1HD LYS A 11 -33.158 9.394 -46.170 1.00 0.60 H ATOM 160 2HD LYS A 11 -31.456 9.854 -46.263 1.00 0.60 H ATOM 161 CE LYS A 11 -32.075 8.568 -47.837 1.00 0.60 C ATOM 162 1HE LYS A 11 -32.703 7.684 -47.975 1.00 0.60 H ATOM 163 2HE LYS A 11 -32.453 9.370 -48.474 1.00 0.60 H ATOM 164 NZ LYS A 11 -30.650 8.259 -48.228 1.00 0.60 N ATOM 165 1HZ LYS A 11 -30.583 8.124 -49.228 1.00 0.60 H ATOM 166 2HZ LYS A 11 -30.339 7.422 -47.756 1.00 0.60 H ATOM 167 3HZ LYS A 11 -30.042 9.022 -47.948 1.00 0.60 H ATOM 168 N ASN A 12 -29.793 9.253 -41.374 1.00 1.06 N ATOM 169 H ASN A 12 -29.389 8.335 -41.528 1.00 1.06 H ATOM 170 CA ASN A 12 -29.830 9.797 -40.012 1.00 1.06 C ATOM 171 HA ASN A 12 -30.872 10.031 -39.791 1.00 1.06 H ATOM 172 C ASN A 12 -29.051 11.096 -39.789 1.00 1.06 C ATOM 173 O ASN A 12 -29.381 11.832 -38.872 1.00 1.06 O ATOM 174 CB ASN A 12 -29.337 8.785 -38.966 1.00 1.06 C ATOM 175 1HB ASN A 12 -28.310 8.508 -39.184 1.00 1.06 H ATOM 176 2HB ASN A 12 -29.365 9.264 -37.988 1.00 1.06 H ATOM 177 CG ASN A 12 -30.171 7.527 -38.897 1.00 1.06 C ATOM 178 OD1 ASN A 12 -29.623 6.438 -38.838 1.00 1.06 O ATOM 179 ND2 ASN A 12 -31.470 7.653 -38.867 1.00 1.06 N ATOM 180 1HD2 ASN A 12 -32.033 6.820 -38.813 1.00 1.06 H ATOM 181 2HD2 ASN A 12 -31.903 8.562 -38.898 1.00 1.06 H ATOM 182 N VAL A 13 -28.038 11.415 -40.585 1.00 7.81 N ATOM 183 H VAL A 13 -27.715 10.785 -41.314 1.00 7.81 H ATOM 184 CA VAL A 13 -27.375 12.716 -40.415 1.00 7.81 C ATOM 185 HA VAL A 13 -27.229 12.907 -39.351 1.00 7.81 H ATOM 186 C VAL A 13 -28.302 13.800 -40.966 1.00 7.81 C ATOM 187 O VAL A 13 -28.525 14.840 -40.345 1.00 7.81 O ATOM 188 CB VAL A 13 -25.988 12.756 -41.119 1.00 7.81 C ATOM 189 HB VAL A 13 -26.125 12.531 -42.176 1.00 7.81 H ATOM 190 CG1 VAL A 13 -25.324 14.133 -40.993 1.00 7.81 C ATOM 191 1HG1 VAL A 13 -24.338 14.115 -41.461 1.00 7.81 H ATOM 192 2HG1 VAL A 13 -25.218 14.412 -39.943 1.00 7.81 H ATOM 193 3HG1 VAL A 13 -25.926 14.886 -41.500 1.00 7.81 H ATOM 194 CG2 VAL A 13 -25.056 11.698 -40.509 1.00 7.81 C ATOM 195 1HG2 VAL A 13 -24.095 11.716 -41.026 1.00 7.81 H ATOM 196 2HG2 VAL A 13 -25.483 10.707 -40.626 1.00 7.81 H ATOM 197 3HG2 VAL A 13 -24.895 11.901 -39.449 1.00 7.81 H ATOM 198 N ALA A 14 -28.910 13.516 -42.110 1.00 0.21 N ATOM 199 H ALA A 14 -28.742 12.629 -42.551 1.00 0.21 H ATOM 200 CA ALA A 14 -29.831 14.452 -42.745 1.00 0.21 C ATOM 201 HA ALA A 14 -29.340 15.421 -42.840 1.00 0.21 H ATOM 202 C ALA A 14 -31.080 14.640 -41.879 1.00 0.21 C ATOM 203 O ALA A 14 -31.676 15.709 -41.878 1.00 0.21 O ATOM 204 CB ALA A 14 -30.205 13.947 -44.143 1.00 0.21 C ATOM 205 1HB ALA A 14 -29.305 13.826 -44.746 1.00 0.21 H ATOM 206 2HB ALA A 14 -30.857 14.678 -44.623 1.00 0.21 H ATOM 207 3HB ALA A 14 -30.732 12.995 -44.068 1.00 0.21 H ATOM 208 N ALA A 15 -31.434 13.616 -41.118 1.00 5.25 N ATOM 209 H ALA A 15 -30.922 12.748 -41.194 1.00 5.25 H ATOM 210 CA ALA A 15 -32.554 13.680 -40.192 1.00 5.25 C ATOM 211 HA ALA A 15 -33.467 13.865 -40.760 1.00 5.25 H ATOM 212 C ALA A 15 -32.380 14.821 -39.196 1.00 5.25 C ATOM 213 O ALA A 15 -33.311 15.570 -38.956 1.00 5.25 O ATOM 214 CB ALA A 15 -32.684 12.354 -39.447 1.00 5.25 C ATOM 215 1HB ALA A 15 -32.795 11.538 -40.162 1.00 5.25 H ATOM 216 2HB ALA A 15 -33.571 12.389 -38.820 1.00 5.25 H ATOM 217 3HB ALA A 15 -31.818 12.185 -38.814 1.00 5.25 H ATOM 218 N SER A 16 -31.190 14.961 -38.631 1.00 -0.83 N ATOM 219 H SER A 16 -30.445 14.311 -38.846 1.00 -0.83 H ATOM 220 CA SER A 16 -30.946 16.032 -37.669 1.00 -0.83 C ATOM 221 HA SER A 16 -31.805 16.102 -37.001 1.00 -0.83 H ATOM 222 C SER A 16 -30.754 17.384 -38.343 1.00 -0.83 C ATOM 223 O SER A 16 -31.226 18.405 -37.851 1.00 -0.83 O ATOM 224 CB SER A 16 -29.704 15.705 -36.844 1.00 -0.83 C ATOM 225 1HB SER A 16 -28.832 15.678 -37.499 1.00 -0.83 H ATOM 226 2HB SER A 16 -29.561 16.473 -36.083 1.00 -0.83 H ATOM 227 OG SER A 16 -29.862 14.437 -36.228 1.00 -0.83 O ATOM 228 HG SER A 16 -30.710 14.430 -35.774 1.00 -0.83 H ATOM 229 N LEU A 17 -30.072 17.395 -39.480 1.00-12.48 N ATOM 230 H LEU A 17 -29.701 16.525 -39.850 1.00-12.48 H ATOM 231 CA LEU A 17 -29.802 18.646 -40.192 1.00-12.48 C ATOM 232 HA LEU A 17 -29.315 19.348 -39.515 1.00-12.48 H ATOM 233 C LEU A 17 -31.075 19.306 -40.704 1.00-12.48 C ATOM 234 O LEU A 17 -31.193 20.528 -40.731 1.00-12.48 O ATOM 235 CB LEU A 17 -28.891 18.388 -41.399 1.00-12.48 C ATOM 236 1HB LEU A 17 -29.354 17.607 -42.000 1.00-12.48 H ATOM 237 2HB LEU A 17 -28.882 19.298 -42.000 1.00-12.48 H ATOM 238 CG LEU A 17 -27.427 17.994 -41.149 1.00-12.48 C ATOM 239 HG LEU A 17 -27.400 17.124 -40.499 1.00-12.48 H ATOM 240 CD1 LEU A 17 -26.771 17.623 -42.478 1.00-12.48 C ATOM 241 1HD1 LEU A 17 -25.738 17.321 -42.306 1.00-12.48 H ATOM 242 2HD1 LEU A 17 -26.787 18.476 -43.159 1.00-12.48 H ATOM 243 3HD1 LEU A 17 -27.306 16.789 -42.931 1.00-12.48 H ATOM 244 CD2 LEU A 17 -26.628 19.113 -40.481 1.00-12.48 C ATOM 245 1HD2 LEU A 17 -25.590 18.803 -40.360 1.00-12.48 H ATOM 246 2HD2 LEU A 17 -27.039 19.323 -39.494 1.00-12.48 H ATOM 247 3HD2 LEU A 17 -26.667 20.019 -41.087 1.00-12.48 H ATOM 248 N LEU A 18 -32.023 18.490 -41.134 1.00 -2.61 N ATOM 249 H LEU A 18 -31.884 17.482 -41.075 1.00 -2.61 H ATOM 250 CA LEU A 18 -33.237 18.980 -41.778 1.00 -2.61 C ATOM 251 HA LEU A 18 -33.121 20.039 -42.006 1.00 -2.61 H ATOM 252 C LEU A 18 -34.456 18.819 -40.884 1.00 -2.61 C ATOM 253 O LEU A 18 -35.576 19.006 -41.352 1.00 -2.61 O ATOM 254 CB LEU A 18 -33.456 18.222 -43.094 1.00 -2.61 C ATOM 255 1HB LEU A 18 -33.649 17.181 -42.841 1.00 -2.61 H ATOM 256 2HB LEU A 18 -34.352 18.619 -43.570 1.00 -2.61 H ATOM 257 CG LEU A 18 -32.325 18.247 -44.135 1.00 -2.61 C ATOM 258 HG LEU A 18 -31.410 17.877 -43.675 1.00 -2.61 H ATOM 259 CD1 LEU A 18 -32.680 17.309 -45.287 1.00 -2.61 C ATOM 260 1HD1 LEU A 18 -31.865 17.297 -46.012 1.00 -2.61 H ATOM 261 2HD1 LEU A 18 -33.595 17.643 -45.779 1.00 -2.61 H ATOM 262 3HD1 LEU A 18 -32.819 16.299 -44.903 1.00 -2.61 H ATOM 263 CD2 LEU A 18 -32.053 19.650 -44.676 1.00 -2.61 C ATOM 264 1HD2 LEU A 18 -31.269 19.610 -45.432 1.00 -2.61 H ATOM 265 2HD2 LEU A 18 -31.712 20.299 -43.867 1.00 -2.61 H ATOM 266 3HD2 LEU A 18 -32.958 20.070 -45.116 1.00 -2.61 H ATOM 267 N GLU A 19 -34.250 18.491 -39.615 1.00 8.54 N ATOM 268 H GLU A 19 -33.294 18.422 -39.280 1.00 8.54 H ATOM 269 CA GLU A 19 -35.320 18.135 -38.664 1.00 8.54 C ATOM 270 HA GLU A 19 -35.691 17.139 -38.907 1.00 8.54 H ATOM 271 C GLU A 19 -36.513 19.085 -38.671 1.00 8.54 C ATOM 272 O GLU A 19 -37.678 18.668 -38.655 1.00 8.54 O ATOM 273 CB GLU A 19 -34.713 18.108 -37.252 1.00 8.54 C ATOM 274 1HB GLU A 19 -33.999 17.290 -37.197 1.00 8.54 H ATOM 275 2HB GLU A 19 -34.154 19.033 -37.112 1.00 8.54 H ATOM 276 CG GLU A 19 -35.688 17.975 -36.079 1.00 8.54 C ATOM 277 1HG GLU A 19 -36.663 17.644 -36.436 1.00 8.54 H ATOM 278 2HG GLU A 19 -35.302 17.221 -35.393 1.00 8.54 H ATOM 279 CD GLU A 19 -35.827 19.294 -35.326 1.00 8.54 C ATOM 280 OE1 GLU A 19 -36.715 20.123 -35.633 1.00 8.54 O ATOM 281 OE2 GLU A 19 -34.973 19.562 -34.457 1.00 8.54 O ATOM 282 N LYS A 20 -36.196 20.369 -38.769 1.00 -1.72 N ATOM 283 H LYS A 20 -35.220 20.600 -38.872 1.00 -1.72 H ATOM 284 CA LYS A 20 -37.176 21.451 -38.680 1.00 -1.72 C ATOM 285 HA LYS A 20 -37.713 21.332 -37.738 1.00 -1.72 H ATOM 286 C LYS A 20 -38.223 21.406 -39.785 1.00 -1.72 C ATOM 287 O LYS A 20 -39.299 21.987 -39.626 1.00 -1.72 O ATOM 288 CB LYS A 20 -36.466 22.812 -38.657 1.00 -1.72 C ATOM 289 1HB LYS A 20 -35.691 22.831 -39.424 1.00 -1.72 H ATOM 290 2HB LYS A 20 -37.204 23.575 -38.909 1.00 -1.72 H ATOM 291 CG LYS A 20 -35.855 23.199 -37.295 1.00 -1.72 C ATOM 292 1HG LYS A 20 -35.689 24.277 -37.293 1.00 -1.72 H ATOM 293 2HG LYS A 20 -36.585 22.969 -36.519 1.00 -1.72 H ATOM 294 CD LYS A 20 -34.519 22.514 -36.955 1.00 -1.72 C ATOM 295 1HD LYS A 20 -34.640 21.434 -36.981 1.00 -1.72 H ATOM 296 2HD LYS A 20 -33.774 22.802 -37.697 1.00 -1.72 H ATOM 297 CE LYS A 20 -34.015 22.895 -35.565 1.00 -1.72 C ATOM 298 1HE LYS A 20 -33.009 22.489 -35.438 1.00 -1.72 H ATOM 299 2HE LYS A 20 -33.967 23.982 -35.487 1.00 -1.72 H ATOM 300 NZ LYS A 20 -34.897 22.344 -34.479 1.00 -1.72 N ATOM 301 1HZ LYS A 20 -34.563 22.623 -33.570 1.00 -1.72 H ATOM 302 2HZ LYS A 20 -34.895 21.320 -34.520 1.00 -1.72 H ATOM 303 3HZ LYS A 20 -35.850 22.643 -34.610 1.00 -1.72 H ATOM 304 N LEU A 21 -37.942 20.671 -40.851 1.00 0.73 N ATOM 305 H LEU A 21 -37.025 20.240 -40.913 1.00 0.73 H ATOM 306 CA LEU A 21 -38.927 20.368 -41.885 1.00 0.73 C ATOM 307 HA LEU A 21 -39.891 20.777 -41.589 1.00 0.73 H ATOM 308 C LEU A 21 -39.111 18.863 -42.088 1.00 0.73 C ATOM 309 O LEU A 21 -40.231 18.372 -42.051 1.00 0.73 O ATOM 310 CB LEU A 21 -38.502 21.022 -43.205 1.00 0.73 C ATOM 311 1HB LEU A 21 -38.345 22.084 -43.020 1.00 0.73 H ATOM 312 2HB LEU A 21 -37.545 20.593 -43.502 1.00 0.73 H ATOM 313 CG LEU A 21 -39.468 20.880 -44.395 1.00 0.73 C ATOM 314 HG LEU A 21 -39.626 19.821 -44.593 1.00 0.73 H ATOM 315 CD1 LEU A 21 -40.829 21.531 -44.134 1.00 0.73 C ATOM 316 1HD1 LEU A 21 -41.449 21.457 -45.029 1.00 0.73 H ATOM 317 2HD1 LEU A 21 -40.705 22.582 -43.872 1.00 0.73 H ATOM 318 3HD1 LEU A 21 -41.344 21.011 -43.327 1.00 0.73 H ATOM 319 CD2 LEU A 21 -38.834 21.502 -45.633 1.00 0.73 C ATOM 320 1HD2 LEU A 21 -39.495 21.367 -46.491 1.00 0.73 H ATOM 321 2HD2 LEU A 21 -37.884 21.014 -45.851 1.00 0.73 H ATOM 322 3HD2 LEU A 21 -38.665 22.570 -45.480 1.00 0.73 H ATOM 323 N LYS A 22 -38.029 18.122 -42.290 1.00 12.76 N ATOM 324 H LYS A 22 -37.109 18.546 -42.175 1.00 12.76 H ATOM 325 CA LYS A 22 -38.095 16.722 -42.726 1.00 12.76 C ATOM 326 HA LYS A 22 -38.566 16.698 -43.709 1.00 12.76 H ATOM 327 C LYS A 22 -38.922 15.830 -41.813 1.00 12.76 C ATOM 328 O LYS A 22 -39.782 15.090 -42.294 1.00 12.76 O ATOM 329 CB LYS A 22 -36.680 16.142 -42.848 1.00 12.76 C ATOM 330 1HB LYS A 22 -36.072 16.821 -43.445 1.00 12.76 H ATOM 331 2HB LYS A 22 -36.240 16.059 -41.853 1.00 12.76 H ATOM 332 CG LYS A 22 -36.671 14.777 -43.509 1.00 12.76 C ATOM 333 1HG LYS A 22 -37.344 14.133 -42.957 1.00 12.76 H ATOM 334 2HG LYS A 22 -37.044 14.880 -44.528 1.00 12.76 H ATOM 335 CD LYS A 22 -35.310 14.107 -43.546 1.00 12.76 C ATOM 336 1HD LYS A 22 -34.597 14.759 -44.050 1.00 12.76 H ATOM 337 2HD LYS A 22 -34.969 13.925 -42.526 1.00 12.76 H ATOM 338 CE LYS A 22 -35.402 12.771 -44.300 1.00 12.76 C ATOM 339 1HE LYS A 22 -35.730 12.969 -45.322 1.00 12.76 H ATOM 340 2HE LYS A 22 -34.409 12.319 -44.327 1.00 12.76 H ATOM 341 NZ LYS A 22 -36.358 11.799 -43.658 1.00 12.76 N ATOM 342 1HZ LYS A 22 -36.438 10.951 -44.195 1.00 12.76 H ATOM 343 2HZ LYS A 22 -37.274 12.219 -43.551 1.00 12.76 H ATOM 344 3HZ LYS A 22 -36.020 11.563 -42.722 1.00 12.76 H ATOM 345 N CYS A 23 -38.736 15.957 -40.507 1.00 10.08 N ATOM 346 H CYS A 23 -38.081 16.643 -40.154 1.00 10.08 H ATOM 347 CA CYS A 23 -39.443 15.107 -39.550 1.00 10.08 C ATOM 348 HA CYS A 23 -39.237 14.070 -39.786 1.00 10.08 H ATOM 349 C CYS A 23 -40.957 15.297 -39.591 1.00 10.08 C ATOM 350 O CYS A 23 -41.712 14.438 -39.154 1.00 10.08 O ATOM 351 CB CYS A 23 -38.957 15.391 -38.128 1.00 10.08 C ATOM 352 1HB CYS A 23 -39.047 16.461 -37.936 1.00 10.08 H ATOM 353 2HB CYS A 23 -39.613 14.868 -37.431 1.00 10.08 H ATOM 354 SG CYS A 23 -37.245 14.877 -37.774 1.00 10.08 S ATOM 355 N LYS A 24 -41.396 16.425 -40.130 1.00-18.31 N ATOM 356 H LYS A 24 -40.729 17.075 -40.534 1.00-18.31 H ATOM 357 CA LYS A 24 -42.809 16.796 -40.164 1.00-18.31 C ATOM 358 HA LYS A 24 -43.344 16.272 -39.371 1.00-18.31 H ATOM 359 C LYS A 24 -43.457 16.441 -41.497 1.00-18.31 C ATOM 360 O LYS A 24 -44.650 16.639 -41.672 1.00-18.31 O ATOM 361 CB LYS A 24 -42.907 18.307 -39.932 1.00-18.31 C ATOM 362 1HB LYS A 24 -42.433 18.808 -40.774 1.00-18.31 H ATOM 363 2HB LYS A 24 -43.956 18.603 -39.905 1.00-18.31 H ATOM 364 CG LYS A 24 -42.216 18.768 -38.648 1.00-18.31 C ATOM 365 1HG LYS A 24 -42.744 18.365 -37.783 1.00-18.31 H ATOM 366 2HG LYS A 24 -41.188 18.411 -38.632 1.00-18.31 H ATOM 367 CD LYS A 24 -42.162 20.275 -38.563 1.00-18.31 C ATOM 368 1HD LYS A 24 -41.686 20.656 -39.468 1.00-18.31 H ATOM 369 2HD LYS A 24 -43.171 20.680 -38.486 1.00-18.31 H ATOM 370 CE LYS A 24 -41.334 20.689 -37.354 1.00-18.31 C ATOM 371 1HE LYS A 24 -41.844 20.382 -36.439 1.00-18.31 H ATOM 372 2HE LYS A 24 -40.361 20.190 -37.402 1.00-18.31 H ATOM 373 NZ LYS A 24 -41.121 22.171 -37.361 1.00-18.31 N ATOM 374 1HZ LYS A 24 -40.594 22.446 -36.544 1.00-18.31 H ATOM 375 2HZ LYS A 24 -42.010 22.650 -37.373 1.00-18.31 H ATOM 376 3HZ LYS A 24 -40.593 22.420 -38.195 1.00-18.31 H ATOM 377 N VAL A 25 -42.650 15.964 -42.436 1.00-15.60 N ATOM 378 H VAL A 25 -41.671 15.841 -42.223 1.00-15.60 H ATOM 379 CA VAL A 25 -43.117 15.654 -43.793 1.00-15.60 C ATOM 380 HA VAL A 25 -44.186 15.861 -43.858 1.00-15.60 H ATOM 381 C VAL A 25 -42.913 14.181 -44.149 1.00-15.60 C ATOM 382 O VAL A 25 -43.821 13.535 -44.654 1.00-15.60 O ATOM 383 CB VAL A 25 -42.391 16.561 -44.839 1.00-15.60 C ATOM 384 HB VAL A 25 -41.319 16.369 -44.785 1.00-15.60 H ATOM 385 CG1 VAL A 25 -42.867 16.276 -46.274 1.00-15.60 C ATOM 386 1HG1 VAL A 25 -42.359 16.939 -46.974 1.00-15.60 H ATOM 387 2HG1 VAL A 25 -43.945 16.433 -46.348 1.00-15.60 H ATOM 388 3HG1 VAL A 25 -42.645 15.246 -46.551 1.00-15.60 H ATOM 389 CG2 VAL A 25 -42.635 18.049 -44.532 1.00-15.60 C ATOM 390 1HG2 VAL A 25 -42.138 18.669 -45.279 1.00-15.60 H ATOM 391 2HG2 VAL A 25 -42.235 18.307 -43.555 1.00-15.60 H ATOM 392 3HG2 VAL A 25 -43.705 18.263 -44.542 1.00-15.60 H ATOM 393 N THR A 26 -41.735 13.631 -43.884 1.00 -1.10 N ATOM 394 H THR A 26 -41.000 14.179 -43.442 1.00 -1.10 H ATOM 395 CA THR A 26 -41.416 12.254 -44.281 1.00 -1.10 C ATOM 396 HA THR A 26 -42.251 11.810 -44.823 1.00 -1.10 H ATOM 397 C THR A 26 -41.093 11.366 -43.090 1.00 -1.10 C ATOM 398 O THR A 26 -40.639 10.238 -43.245 1.00 -1.10 O ATOM 399 CB THR A 26 -40.167 12.237 -45.191 1.00 -1.10 C ATOM 400 HB THR A 26 -39.912 11.208 -45.443 1.00 -1.10 H ATOM 401 OG1 THR A 26 -39.074 12.857 -44.508 1.00 -1.10 O ATOM 402 HG1 THR A 26 -39.131 12.631 -43.566 1.00 -1.10 H ATOM 403 CG2 THR A 26 -40.385 13.025 -46.472 1.00 -1.10 C ATOM 404 1HG2 THR A 26 -39.537 12.868 -47.136 1.00 -1.10 H ATOM 405 2HG2 THR A 26 -40.468 14.088 -46.248 1.00 -1.10 H ATOM 406 3HG2 THR A 26 -41.295 12.683 -46.968 1.00 -1.10 H ATOM 407 N GLY A 27 -41.209 11.936 -41.902 1.00 3.14 N ATOM 408 H GLY A 27 -41.667 12.828 -41.814 1.00 3.14 H ATOM 409 CA GLY A 27 -40.564 11.359 -40.736 1.00 3.14 C ATOM 410 1HA GLY A 27 -41.021 11.756 -39.829 1.00 3.14 H ATOM 411 2HA GLY A 27 -40.651 10.273 -40.747 1.00 3.14 H ATOM 412 C GLY A 27 -39.100 11.755 -40.780 1.00 3.14 C ATOM 413 O GLY A 27 -38.640 12.338 -41.770 1.00 3.14 O ATOM 414 N CYS A 28 -38.376 11.519 -39.698 1.00 2.12 N ATOM 415 H CYS A 28 -38.772 11.014 -38.926 1.00 2.12 H ATOM 416 CA CYS A 28 -36.986 11.952 -39.605 1.00 2.12 C ATOM 417 HA CYS A 28 -36.903 12.975 -39.970 1.00 2.12 H ATOM 418 C CYS A 28 -36.100 11.070 -40.478 1.00 2.12 C ATOM 419 O CYS A 28 -35.214 11.629 -41.150 1.00 2.12 O ATOM 420 OXT CYS A 28 -36.342 9.855 -40.545 1.00 2.12 O ATOM 421 CB CYS A 28 -36.525 11.907 -38.149 1.00 2.12 C ATOM 422 1HB CYS A 28 -36.604 10.879 -37.795 1.00 2.12 H ATOM 423 2HB CYS A 28 -35.477 12.192 -38.116 1.00 2.12 H ATOM 424 SG CYS A 28 -37.445 13.000 -37.014 1.00 2.12 S TER 425 CYS A 28 CONECT 354 351 424 CONECT 424 354 421 END
SEQUENCE	GLMDTIKGVAKNVAASLLEKLKCKVTGC
HELICITY	82.10	INSTAB. INDEX	-16.95	FLEXIBILITY	13.63
a HYD. MOM.	62.00	b HYD. MOM.	29.51	c HYD. MOM	4.08
a MEAN HYD. MOM.	2.21	b MEAN HYD. MOM.	1.05	c MEAN HYD. MOM.	0.15
CHARGE pH5	3.22	CHARGE pH7	2.91	CHARGE pH9	1.03
Δ CHARGE pH5-pH9	2.19	ISOELECTRIC POINT	9.24	BOMAN INDEX	0.31
ΔG	20	CPP	-0,15	MLP	-14,94
MOLECULAR VOLUME		POLARITY
MIC E. coli	20	MIC P. aeruginosa	20	MIC S. typhimurium
MIC S. aureus	80	MIC M. luteus		MIC B. subtilis
MIC C. albicans	40	OTHER
MIC OTHER gram+
MIC OTHER gram-	Klebsiella pneumoniae=80
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Lithobates	SPECIES	Lithobates chiricahuensis
DATE	2011
TITLE PAPER	Characterization of antimicrobial peptides in skin secretions from discrete populations of Lithobates chiricahuensis (Ranidae) from central and southern Arizona