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ID	1664	NAME	Ranatuerin-2PLa   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\GIMDTVKNVAKNLAGQLLDKLKCKITAC.pdb REMARK YASARA Written on: Wed May 14 13:47:13 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 VAL LYS ASN VAL ALA LYS ASN LEU SEQRES 2 A 28 ALA GLY GLN LEU LEU ASP LYS LEU LYS CYS LYS ILE THR SEQRES 3 A 28 ALA 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 -10.714 30.355 26.926 1.00-32.18 N ATOM 2 1H GLY A 1 -10.140 29.768 27.513 1.00-32.18 H ATOM 3 2H GLY A 1 -11.458 29.797 26.527 1.00-32.18 H ATOM 4 3H GLY A 1 -11.119 31.099 27.474 1.00-32.18 H ATOM 5 CA GLY A 1 -9.894 30.930 25.833 1.00-32.18 C ATOM 6 1HA GLY A 1 -9.064 31.490 26.258 1.00-32.18 H ATOM 7 2HA GLY A 1 -9.516 30.115 25.217 1.00-32.18 H ATOM 8 C GLY A 1 -10.727 31.847 24.975 1.00-32.18 C ATOM 9 O GLY A 1 -11.803 32.213 25.413 1.00-32.18 O ATOM 10 N ILE A 2 -10.248 32.261 23.806 1.00-28.56 N ATOM 11 H ILE A 2 -9.352 31.934 23.484 1.00-28.56 H ATOM 12 CA ILE A 2 -10.971 33.238 22.977 1.00-28.56 C ATOM 13 HA ILE A 2 -11.512 33.925 23.630 1.00-28.56 H ATOM 14 C ILE A 2 -11.993 32.559 22.059 1.00-28.56 C ATOM 15 O ILE A 2 -13.118 33.016 21.899 1.00-28.56 O ATOM 16 CB ILE A 2 -9.968 34.073 22.106 1.00-28.56 C ATOM 17 HB ILE A 2 -9.432 33.390 21.446 1.00-28.56 H ATOM 18 CG1 ILE A 2 -8.935 34.779 23.015 1.00-28.56 C ATOM 19 1HG1 ILE A 2 -9.456 35.529 23.612 1.00-28.56 H ATOM 20 2HG1 ILE A 2 -8.500 34.054 23.699 1.00-28.56 H ATOM 21 CG2 ILE A 2 -10.713 35.120 21.233 1.00-28.56 C ATOM 22 1HG2 ILE A 2 -10.011 35.667 20.603 1.00-28.56 H ATOM 23 2HG2 ILE A 2 -11.252 35.828 21.867 1.00-28.56 H ATOM 24 3HG2 ILE A 2 -11.431 34.629 20.574 1.00-28.56 H ATOM 25 CD1 ILE A 2 -7.764 35.464 22.289 1.00-28.56 C ATOM 26 1HD1 ILE A 2 -7.046 35.826 23.026 1.00-28.56 H ATOM 27 2HD1 ILE A 2 -8.122 36.315 21.709 1.00-28.56 H ATOM 28 3HD1 ILE A 2 -7.267 34.755 21.626 1.00-28.56 H ATOM 29 N MET A 3 -11.608 31.440 21.457 1.00-15.89 N ATOM 30 H MET A 3 -10.713 31.037 21.665 1.00-15.89 H ATOM 31 CA MET A 3 -12.459 30.776 20.464 1.00-15.89 C ATOM 32 HA MET A 3 -12.883 31.528 19.800 1.00-15.89 H ATOM 33 C MET A 3 -13.610 30.025 21.118 1.00-15.89 C ATOM 34 O MET A 3 -14.521 29.548 20.463 1.00-15.89 O ATOM 35 CB MET A 3 -11.633 29.796 19.630 1.00-15.89 C ATOM 36 1HB MET A 3 -11.172 29.068 20.298 1.00-15.89 H ATOM 37 2HB MET A 3 -12.305 29.268 18.954 1.00-15.89 H ATOM 38 CG MET A 3 -10.546 30.475 18.807 1.00-15.89 C ATOM 39 1HG MET A 3 -11.009 31.189 18.126 1.00-15.89 H ATOM 40 2HG MET A 3 -9.876 31.013 19.477 1.00-15.89 H ATOM 41 SD MET A 3 -9.569 29.296 17.851 1.00-15.89 S ATOM 42 CE MET A 3 -10.705 28.814 16.525 1.00-15.89 C ATOM 43 1HE MET A 3 -10.201 28.119 15.853 1.00-15.89 H ATOM 44 2HE MET A 3 -11.011 29.697 15.963 1.00-15.89 H ATOM 45 3HE MET A 3 -11.584 28.327 16.947 1.00-15.89 H ATOM 46 N ASP A 4 -13.557 29.960 22.436 1.00-10.19 N ATOM 47 H ASP A 4 -12.772 30.376 22.912 1.00-10.19 H ATOM 48 CA ASP A 4 -14.523 29.256 23.271 1.00-10.19 C ATOM 49 HA ASP A 4 -14.586 28.212 22.963 1.00-10.19 H ATOM 50 C ASP A 4 -15.898 29.908 23.154 1.00-10.19 C ATOM 51 O ASP A 4 -16.925 29.288 23.399 1.00-10.19 O ATOM 52 CB ASP A 4 -14.096 29.347 24.745 1.00-10.19 C ATOM 53 1HB ASP A 4 -14.108 30.395 25.043 1.00-10.19 H ATOM 54 2HB ASP A 4 -14.821 28.808 25.356 1.00-10.19 H ATOM 55 CG ASP A 4 -12.695 28.799 25.024 1.00-10.19 C ATOM 56 OD1 ASP A 4 -12.506 28.283 26.143 1.00-10.19 O ATOM 57 OD2 ASP A 4 -11.721 29.071 24.276 1.00-10.19 O ATOM 58 N THR A 5 -15.894 31.182 22.786 1.00 1.42 N ATOM 59 H THR A 5 -15.009 31.643 22.612 1.00 1.42 H ATOM 60 CA THR A 5 -17.106 31.987 22.662 1.00 1.42 C ATOM 61 HA THR A 5 -17.985 31.368 22.834 1.00 1.42 H ATOM 62 C THR A 5 -17.208 32.586 21.261 1.00 1.42 C ATOM 63 O THR A 5 -17.792 33.656 21.070 1.00 1.42 O ATOM 64 CB THR A 5 -17.085 33.130 23.703 1.00 1.42 C ATOM 65 HB THR A 5 -17.968 33.758 23.582 1.00 1.42 H ATOM 66 OG1 THR A 5 -15.900 33.912 23.523 1.00 1.42 O ATOM 67 HG1 THR A 5 -15.984 34.382 22.688 1.00 1.42 H ATOM 68 CG2 THR A 5 -17.047 32.597 25.130 1.00 1.42 C ATOM 69 1HG2 THR A 5 -17.154 33.429 25.823 1.00 1.42 H ATOM 70 2HG2 THR A 5 -16.096 32.099 25.317 1.00 1.42 H ATOM 71 3HG2 THR A 5 -17.864 31.891 25.284 1.00 1.42 H ATOM 72 N VAL A 6 -16.578 31.949 20.282 1.00 6.66 N ATOM 73 H VAL A 6 -16.111 31.067 20.466 1.00 6.66 H ATOM 74 CA VAL A 6 -16.571 32.498 18.925 1.00 6.66 C ATOM 75 HA VAL A 6 -16.224 33.528 19.002 1.00 6.66 H ATOM 76 C VAL A 6 -18.000 32.525 18.369 1.00 6.66 C ATOM 77 O VAL A 6 -18.793 31.602 18.555 1.00 6.66 O ATOM 78 CB VAL A 6 -15.572 31.736 17.988 1.00 6.66 C ATOM 79 HB VAL A 6 -14.629 31.654 18.524 1.00 6.66 H ATOM 80 CG1 VAL A 6 -16.036 30.315 17.639 1.00 6.66 C ATOM 81 1HG1 VAL A 6 -15.246 29.787 17.108 1.00 6.66 H ATOM 82 2HG1 VAL A 6 -16.933 30.343 17.020 1.00 6.66 H ATOM 83 3HG1 VAL A 6 -16.263 29.762 18.553 1.00 6.66 H ATOM 84 CG2 VAL A 6 -15.286 32.527 16.702 1.00 6.66 C ATOM 85 1HG2 VAL A 6 -14.511 32.018 16.129 1.00 6.66 H ATOM 86 2HG2 VAL A 6 -14.931 33.526 16.955 1.00 6.66 H ATOM 87 3HG2 VAL A 6 -16.187 32.601 16.092 1.00 6.66 H ATOM 88 N LYS A 7 -18.346 33.606 17.683 1.00 9.12 N ATOM 89 H LYS A 7 -17.679 34.355 17.563 1.00 9.12 H ATOM 90 CA LYS A 7 -19.658 33.753 17.059 1.00 9.12 C ATOM 91 HA LYS A 7 -20.117 32.774 16.917 1.00 9.12 H ATOM 92 C LYS A 7 -19.407 34.409 15.717 1.00 9.12 C ATOM 93 O LYS A 7 -18.554 35.288 15.620 1.00 9.12 O ATOM 94 CB LYS A 7 -20.561 34.634 17.935 1.00 9.12 C ATOM 95 1HB LYS A 7 -20.629 34.186 18.927 1.00 9.12 H ATOM 96 2HB LYS A 7 -20.096 35.615 18.032 1.00 9.12 H ATOM 97 CG LYS A 7 -21.972 34.818 17.378 1.00 9.12 C ATOM 98 1HG LYS A 7 -21.900 35.238 16.378 1.00 9.12 H ATOM 99 2HG LYS A 7 -22.462 33.846 17.316 1.00 9.12 H ATOM 100 CD LYS A 7 -22.829 35.756 18.206 1.00 9.12 C ATOM 101 1HD LYS A 7 -22.967 35.344 19.207 1.00 9.12 H ATOM 102 2HD LYS A 7 -22.336 36.726 18.277 1.00 9.12 H ATOM 103 CE LYS A 7 -24.177 35.923 17.511 1.00 9.12 C ATOM 104 1HE LYS A 7 -23.998 36.265 16.487 1.00 9.12 H ATOM 105 2HE LYS A 7 -24.669 34.950 17.455 1.00 9.12 H ATOM 106 NZ LYS A 7 -25.097 36.900 18.181 1.00 9.12 N ATOM 107 1HZ LYS A 7 -25.899 37.060 17.576 1.00 9.12 H ATOM 108 2HZ LYS A 7 -24.624 37.782 18.321 1.00 9.12 H ATOM 109 3HZ LYS A 7 -25.409 36.536 19.070 1.00 9.12 H ATOM 110 N ASN A 8 -20.178 34.051 14.701 1.00 6.23 N ATOM 111 H ASN A 8 -20.824 33.286 14.807 1.00 6.23 H ATOM 112 CA ASN A 8 -20.201 34.837 13.472 1.00 6.23 C ATOM 113 HA ASN A 8 -19.185 35.146 13.219 1.00 6.23 H ATOM 114 C ASN A 8 -21.037 36.086 13.761 1.00 6.23 C ATOM 115 O ASN A 8 -22.260 36.085 13.641 1.00 6.23 O ATOM 116 CB ASN A 8 -20.786 34.041 12.301 1.00 6.23 C ATOM 117 1HB ASN A 8 -20.256 33.093 12.219 1.00 6.23 H ATOM 118 2HB ASN A 8 -21.839 33.835 12.488 1.00 6.23 H ATOM 119 CG ASN A 8 -20.661 34.776 10.986 1.00 6.23 C ATOM 120 OD1 ASN A 8 -20.557 35.994 10.937 1.00 6.23 O ATOM 121 ND2 ASN A 8 -20.640 34.040 9.910 1.00 6.23 N ATOM 122 1HD2 ASN A 8 -20.514 34.491 9.021 1.00 6.23 H ATOM 123 2HD2 ASN A 8 -20.736 33.041 9.978 1.00 6.23 H ATOM 124 N VAL A 9 -20.379 37.146 14.199 1.00 28.17 N ATOM 125 H VAL A 9 -19.377 37.085 14.342 1.00 28.17 H ATOM 126 CA VAL A 9 -21.061 38.389 14.555 1.00 28.17 C ATOM 127 HA VAL A 9 -21.971 38.141 15.100 1.00 28.17 H ATOM 128 C VAL A 9 -21.473 39.213 13.337 1.00 28.17 C ATOM 129 O VAL A 9 -22.256 40.151 13.474 1.00 28.17 O ATOM 130 CB VAL A 9 -20.173 39.271 15.484 1.00 28.17 C ATOM 131 HB VAL A 9 -20.725 40.178 15.725 1.00 28.17 H ATOM 132 CG1 VAL A 9 -19.879 38.538 16.801 1.00 28.17 C ATOM 133 1HG1 VAL A 9 -19.337 39.205 17.474 1.00 28.17 H ATOM 134 2HG1 VAL A 9 -19.270 37.650 16.627 1.00 28.17 H ATOM 135 3HG1 VAL A 9 -20.812 38.251 17.281 1.00 28.17 H ATOM 136 CG2 VAL A 9 -18.846 39.671 14.812 1.00 28.17 C ATOM 137 1HG2 VAL A 9 -18.285 40.326 15.481 1.00 28.17 H ATOM 138 2HG2 VAL A 9 -19.036 40.221 13.890 1.00 28.17 H ATOM 139 3HG2 VAL A 9 -18.234 38.795 14.595 1.00 28.17 H ATOM 140 N ALA A 10 -20.985 38.859 12.151 1.00 18.85 N ATOM 141 H ALA A 10 -20.494 37.976 12.070 1.00 18.85 H ATOM 142 CA ALA A 10 -21.057 39.697 10.947 1.00 18.85 C ATOM 143 HA ALA A 10 -20.807 40.714 11.253 1.00 18.85 H ATOM 144 C ALA A 10 -22.429 39.778 10.252 1.00 18.85 C ATOM 145 O ALA A 10 -22.527 39.973 9.035 1.00 18.85 O ATOM 146 CB ALA A 10 -19.976 39.235 9.956 1.00 18.85 C ATOM 147 1HB ALA A 10 -19.004 39.212 10.450 1.00 18.85 H ATOM 148 2HB ALA A 10 -19.922 39.932 9.117 1.00 18.85 H ATOM 149 3HB ALA A 10 -20.213 38.239 9.580 1.00 18.85 H ATOM 150 N LYS A 11 -23.485 39.626 11.037 1.00 7.83 N ATOM 151 H LYS A 11 -23.301 39.393 12.005 1.00 7.83 H ATOM 152 CA LYS A 11 -24.857 39.943 10.639 1.00 7.83 C ATOM 153 HA LYS A 11 -24.837 40.596 9.767 1.00 7.83 H ATOM 154 C LYS A 11 -25.493 40.736 11.767 1.00 7.83 C ATOM 155 O LYS A 11 -25.854 41.891 11.573 1.00 7.83 O ATOM 156 CB LYS A 11 -25.674 38.678 10.324 1.00 7.83 C ATOM 157 1HB LYS A 11 -25.623 38.008 11.183 1.00 7.83 H ATOM 158 2HB LYS A 11 -26.717 38.962 10.176 1.00 7.83 H ATOM 159 CG LYS A 11 -25.198 37.909 9.086 1.00 7.83 C ATOM 160 1HG LYS A 11 -24.137 37.696 9.201 1.00 7.83 H ATOM 161 2HG LYS A 11 -25.730 36.959 9.028 1.00 7.83 H ATOM 162 CD LYS A 11 -25.436 38.685 7.778 1.00 7.83 C ATOM 163 1HD LYS A 11 -26.509 38.720 7.580 1.00 7.83 H ATOM 164 2HD LYS A 11 -25.074 39.707 7.879 1.00 7.83 H ATOM 165 CE LYS A 11 -24.716 38.058 6.590 1.00 7.83 C ATOM 166 1HE LYS A 11 -24.989 37.003 6.512 1.00 7.83 H ATOM 167 2HE LYS A 11 -25.030 38.573 5.679 1.00 7.83 H ATOM 168 NZ LYS A 11 -23.224 38.201 6.751 1.00 7.83 N ATOM 169 1HZ LYS A 11 -22.750 37.921 5.904 1.00 7.83 H ATOM 170 2HZ LYS A 11 -22.906 37.631 7.523 1.00 7.83 H ATOM 171 3HZ LYS A 11 -22.992 39.165 6.968 1.00 7.83 H ATOM 172 N ASN A 12 -25.540 40.150 12.957 1.00 17.93 N ATOM 173 H ASN A 12 -25.178 39.220 13.076 1.00 17.93 H ATOM 174 CA ASN A 12 -26.194 40.809 14.087 1.00 17.93 C ATOM 175 HA ASN A 12 -27.222 41.034 13.799 1.00 17.93 H ATOM 176 C ASN A 12 -25.515 42.119 14.459 1.00 17.93 C ATOM 177 O ASN A 12 -26.186 43.076 14.798 1.00 17.93 O ATOM 178 CB ASN A 12 -26.200 39.945 15.356 1.00 17.93 C ATOM 179 1HB ASN A 12 -25.173 39.798 15.685 1.00 17.93 H ATOM 180 2HB ASN A 12 -26.737 40.484 16.137 1.00 17.93 H ATOM 181 CG ASN A 12 -26.829 38.588 15.170 1.00 17.93 C ATOM 182 OD1 ASN A 12 -26.231 37.599 15.572 1.00 17.93 O ATOM 183 ND2 ASN A 12 -27.995 38.503 14.604 1.00 17.93 N ATOM 184 1HD2 ASN A 12 -28.419 37.600 14.491 1.00 17.93 H ATOM 185 2HD2 ASN A 12 -28.495 39.337 14.281 1.00 17.93 H ATOM 186 N LEU A 13 -24.191 42.181 14.392 1.00 -2.25 N ATOM 187 H LEU A 13 -23.652 41.377 14.092 1.00 -2.25 H ATOM 188 CA LEU A 13 -23.480 43.395 14.788 1.00 -2.25 C ATOM 189 HA LEU A 13 -23.794 43.661 15.797 1.00 -2.25 H ATOM 190 C LEU A 13 -23.814 44.561 13.868 1.00 -2.25 C ATOM 191 O LEU A 13 -23.984 45.686 14.326 1.00 -2.25 O ATOM 192 CB LEU A 13 -21.968 43.147 14.786 1.00 -2.25 C ATOM 193 1HB LEU A 13 -21.774 42.274 15.407 1.00 -2.25 H ATOM 194 2HB LEU A 13 -21.670 42.904 13.766 1.00 -2.25 H ATOM 195 CG LEU A 13 -21.063 44.289 15.278 1.00 -2.25 C ATOM 196 HG LEU A 13 -21.225 45.161 14.647 1.00 -2.25 H ATOM 197 CD1 LEU A 13 -21.342 44.684 16.730 1.00 -2.25 C ATOM 198 1HD1 LEU A 13 -20.635 45.453 17.044 1.00 -2.25 H ATOM 199 2HD1 LEU A 13 -21.247 43.818 17.386 1.00 -2.25 H ATOM 200 3HD1 LEU A 13 -22.347 45.098 16.815 1.00 -2.25 H ATOM 201 CD2 LEU A 13 -19.605 43.865 15.137 1.00 -2.25 C ATOM 202 1HD2 LEU A 13 -18.954 44.685 15.442 1.00 -2.25 H ATOM 203 2HD2 LEU A 13 -19.387 43.623 14.096 1.00 -2.25 H ATOM 204 3HD2 LEU A 13 -19.398 42.994 15.760 1.00 -2.25 H ATOM 205 N ALA A 14 -23.971 44.290 12.580 1.00 5.30 N ATOM 206 H ALA A 14 -23.861 43.347 12.250 1.00 5.30 H ATOM 207 CA ALA A 14 -24.349 45.337 11.638 1.00 5.30 C ATOM 208 HA ALA A 14 -23.653 46.172 11.729 1.00 5.30 H ATOM 209 C ALA A 14 -25.748 45.827 12.015 1.00 5.30 C ATOM 210 O ALA A 14 -26.021 47.022 12.031 1.00 5.30 O ATOM 211 CB ALA A 14 -24.315 44.798 10.201 1.00 5.30 C ATOM 212 1HB ALA A 14 -23.304 44.470 9.955 1.00 5.30 H ATOM 213 2HB ALA A 14 -24.608 45.594 9.514 1.00 5.30 H ATOM 214 3HB ALA A 14 -25.008 43.962 10.096 1.00 5.30 H ATOM 215 N GLY A 15 -26.620 44.899 12.379 1.00 20.08 N ATOM 216 H GLY A 15 -26.371 43.914 12.350 1.00 20.08 H ATOM 217 CA GLY A 15 -27.943 45.273 12.840 1.00 20.08 C ATOM 218 1HA GLY A 15 -28.412 45.890 12.077 1.00 20.08 H ATOM 219 2HA GLY A 15 -28.536 44.376 12.975 1.00 20.08 H ATOM 220 C GLY A 15 -27.967 46.045 14.136 1.00 20.08 C ATOM 221 O GLY A 15 -28.826 46.893 14.285 1.00 20.08 O ATOM 222 N GLN A 16 -27.026 45.797 15.036 1.00 -4.19 N ATOM 223 H GLN A 16 -26.363 45.051 14.845 1.00 -4.19 H ATOM 224 CA GLN A 16 -26.907 46.529 16.300 1.00 -4.19 C ATOM 225 HA GLN A 16 -27.887 46.613 16.768 1.00 -4.19 H ATOM 226 C GLN A 16 -26.369 47.940 16.068 1.00 -4.19 C ATOM 227 O GLN A 16 -26.806 48.897 16.701 1.00 -4.19 O ATOM 228 CB GLN A 16 -25.958 45.788 17.248 1.00 -4.19 C ATOM 229 1HB GLN A 16 -25.023 45.607 16.721 1.00 -4.19 H ATOM 230 2HB GLN A 16 -25.748 46.433 18.101 1.00 -4.19 H ATOM 231 CG GLN A 16 -26.490 44.453 17.775 1.00 -4.19 C ATOM 232 1HG GLN A 16 -27.228 44.647 18.553 1.00 -4.19 H ATOM 233 2HG GLN A 16 -26.980 43.915 16.971 1.00 -4.19 H ATOM 234 CD GLN A 16 -25.388 43.571 18.333 1.00 -4.19 C ATOM 235 OE1 GLN A 16 -25.239 42.414 17.960 1.00 -4.19 O ATOM 236 NE2 GLN A 16 -24.598 44.110 19.227 1.00 -4.19 N ATOM 237 1HE2 GLN A 16 -23.857 43.551 19.609 1.00 -4.19 H ATOM 238 2HE2 GLN A 16 -24.745 45.060 19.521 1.00 -4.19 H ATOM 239 N LEU A 17 -25.455 48.105 15.124 1.00 -9.43 N ATOM 240 H LEU A 17 -25.081 47.294 14.634 1.00 -9.43 H ATOM 241 CA LEU A 17 -24.975 49.443 14.773 1.00 -9.43 C ATOM 242 HA LEU A 17 -24.635 49.957 15.671 1.00 -9.43 H ATOM 243 C LEU A 17 -26.137 50.234 14.180 1.00 -9.43 C ATOM 244 O LEU A 17 -26.303 51.431 14.428 1.00 -9.43 O ATOM 245 CB LEU A 17 -23.823 49.353 13.765 1.00 -9.43 C ATOM 246 1HB LEU A 17 -24.165 48.755 12.921 1.00 -9.43 H ATOM 247 2HB LEU A 17 -23.619 50.358 13.395 1.00 -9.43 H ATOM 248 CG LEU A 17 -22.496 48.759 14.267 1.00 -9.43 C ATOM 249 HG LEU A 17 -22.695 47.805 14.746 1.00 -9.43 H ATOM 250 CD1 LEU A 17 -21.560 48.509 13.088 1.00 -9.43 C ATOM 251 1HD1 LEU A 17 -20.636 48.052 13.443 1.00 -9.43 H ATOM 252 2HD1 LEU A 17 -21.328 49.447 12.581 1.00 -9.43 H ATOM 253 3HD1 LEU A 17 -22.035 47.826 12.383 1.00 -9.43 H ATOM 254 CD2 LEU A 17 -21.803 49.662 15.291 1.00 -9.43 C ATOM 255 1HD2 LEU A 17 -20.859 49.210 15.597 1.00 -9.43 H ATOM 256 2HD2 LEU A 17 -22.431 49.773 16.174 1.00 -9.43 H ATOM 257 3HD2 LEU A 17 -21.608 50.644 14.858 1.00 -9.43 H ATOM 258 N LEU A 18 -26.993 49.532 13.456 1.00 -9.47 N ATOM 259 H LEU A 18 -26.804 48.545 13.302 1.00 -9.47 H ATOM 260 CA LEU A 18 -28.190 50.100 12.844 1.00 -9.47 C ATOM 261 HA LEU A 18 -28.064 51.177 12.734 1.00 -9.47 H ATOM 262 C LEU A 18 -29.443 49.851 13.684 1.00 -9.47 C ATOM 263 O LEU A 18 -30.548 49.849 13.136 1.00 -9.47 O ATOM 264 CB LEU A 18 -28.376 49.479 11.452 1.00 -9.47 C ATOM 265 1HB LEU A 18 -28.508 48.406 11.588 1.00 -9.47 H ATOM 266 2HB LEU A 18 -29.293 49.874 11.014 1.00 -9.47 H ATOM 267 CG LEU A 18 -27.256 49.693 10.420 1.00 -9.47 C ATOM 268 HG LEU A 18 -26.307 49.381 10.851 1.00 -9.47 H ATOM 269 CD1 LEU A 18 -27.526 48.825 9.192 1.00 -9.47 C ATOM 270 1HD1 LEU A 18 -26.721 48.958 8.468 1.00 -9.47 H ATOM 271 2HD1 LEU A 18 -28.475 49.099 8.732 1.00 -9.47 H ATOM 272 3HD1 LEU A 18 -27.551 47.776 9.489 1.00 -9.47 H ATOM 273 CD2 LEU A 18 -27.129 51.159 10.000 1.00 -9.47 C ATOM 274 1HD2 LEU A 18 -26.346 51.257 9.246 1.00 -9.47 H ATOM 275 2HD2 LEU A 18 -26.851 51.769 10.859 1.00 -9.47 H ATOM 276 3HD2 LEU A 18 -28.072 51.520 9.586 1.00 -9.47 H ATOM 277 N ASP A 19 -29.318 49.655 14.995 1.00 46.85 N ATOM 278 H ASP A 19 -28.403 49.726 15.433 1.00 46.85 H ATOM 279 CA ASP A 19 -30.444 49.205 15.836 1.00 46.85 C ATOM 280 HA ASP A 19 -30.771 48.239 15.459 1.00 46.85 H ATOM 281 C ASP A 19 -31.632 50.145 15.828 1.00 46.85 C ATOM 282 O ASP A 19 -32.769 49.740 16.067 1.00 46.85 O ATOM 283 CB ASP A 19 -30.068 49.044 17.312 1.00 46.85 C ATOM 284 1HB ASP A 19 -30.841 48.438 17.785 1.00 46.85 H ATOM 285 2HB ASP A 19 -29.125 48.517 17.412 1.00 46.85 H ATOM 286 CG ASP A 19 -30.025 50.373 18.044 1.00 46.85 C ATOM 287 OD1 ASP A 19 -30.905 50.592 18.901 1.00 46.85 O ATOM 288 OD2 ASP A 19 -29.228 51.260 17.668 1.00 46.85 O ATOM 289 N LYS A 20 -31.339 51.393 15.497 1.00 3.14 N ATOM 290 H LYS A 20 -30.366 51.590 15.314 1.00 3.14 H ATOM 291 CA LYS A 20 -32.299 52.487 15.404 1.00 3.14 C ATOM 292 HA LYS A 20 -32.746 52.654 16.382 1.00 3.14 H ATOM 293 C LYS A 20 -33.414 52.146 14.425 1.00 3.14 C ATOM 294 O LYS A 20 -34.536 52.606 14.582 1.00 3.14 O ATOM 295 CB LYS A 20 -31.560 53.754 14.956 1.00 3.14 C ATOM 296 1HB LYS A 20 -31.206 53.602 13.936 1.00 3.14 H ATOM 297 2HB LYS A 20 -32.266 54.585 14.947 1.00 3.14 H ATOM 298 CG LYS A 20 -30.353 54.129 15.837 1.00 3.14 C ATOM 299 1HG LYS A 20 -30.464 55.163 16.164 1.00 3.14 H ATOM 300 2HG LYS A 20 -30.331 53.494 16.721 1.00 3.14 H ATOM 301 CD LYS A 20 -29.027 53.993 15.069 1.00 3.14 C ATOM 302 1HD LYS A 20 -28.953 52.997 14.630 1.00 3.14 H ATOM 303 2HD LYS A 20 -29.026 54.727 14.262 1.00 3.14 H ATOM 304 CE LYS A 20 -27.799 54.236 15.954 1.00 3.14 C ATOM 305 1HE LYS A 20 -26.988 54.600 15.320 1.00 3.14 H ATOM 306 2HE LYS A 20 -28.038 55.009 16.687 1.00 3.14 H ATOM 307 NZ LYS A 20 -27.316 52.998 16.661 1.00 3.14 N ATOM 308 1HZ LYS A 20 -26.584 53.224 17.316 1.00 3.14 H ATOM 309 2HZ LYS A 20 -26.956 52.334 15.982 1.00 3.14 H ATOM 310 3HZ LYS A 20 -28.081 52.547 17.164 1.00 3.14 H ATOM 311 N LEU A 21 -33.101 51.280 13.471 1.00 -4.13 N ATOM 312 H LEU A 21 -32.140 50.968 13.395 1.00 -4.13 H ATOM 313 CA LEU A 21 -34.096 50.689 12.582 1.00 -4.13 C ATOM 314 HA LEU A 21 -35.094 50.974 12.916 1.00 -4.13 H ATOM 315 C LEU A 21 -34.038 49.164 12.590 1.00 -4.13 C ATOM 316 O LEU A 21 -35.036 48.513 12.864 1.00 -4.13 O ATOM 317 CB LEU A 21 -33.897 51.193 11.146 1.00 -4.13 C ATOM 318 1HB LEU A 21 -32.881 50.943 10.840 1.00 -4.13 H ATOM 319 2HB LEU A 21 -34.580 50.638 10.503 1.00 -4.13 H ATOM 320 CG LEU A 21 -34.115 52.691 10.870 1.00 -4.13 C ATOM 321 HG LEU A 21 -33.470 53.267 11.533 1.00 -4.13 H ATOM 322 CD1 LEU A 21 -33.719 53.005 9.429 1.00 -4.13 C ATOM 323 1HD1 LEU A 21 -33.835 54.074 9.243 1.00 -4.13 H ATOM 324 2HD1 LEU A 21 -34.350 52.452 8.732 1.00 -4.13 H ATOM 325 3HD1 LEU A 21 -32.676 52.737 9.263 1.00 -4.13 H ATOM 326 CD2 LEU A 21 -35.563 53.124 11.106 1.00 -4.13 C ATOM 327 1HD2 LEU A 21 -35.679 54.179 10.856 1.00 -4.13 H ATOM 328 2HD2 LEU A 21 -35.824 52.998 12.158 1.00 -4.13 H ATOM 329 3HD2 LEU A 21 -36.244 52.535 10.491 1.00 -4.13 H ATOM 330 N LYS A 22 -32.895 48.562 12.279 1.00 11.83 N ATOM 331 H LYS A 22 -32.028 49.096 12.244 1.00 11.83 H ATOM 332 CA LYS A 22 -32.885 47.144 11.908 1.00 11.83 C ATOM 333 HA LYS A 22 -33.626 47.022 11.117 1.00 11.83 H ATOM 334 C LYS A 22 -33.318 46.218 13.038 1.00 11.83 C ATOM 335 O LYS A 22 -34.228 45.415 12.847 1.00 11.83 O ATOM 336 CB LYS A 22 -31.526 46.707 11.342 1.00 11.83 C ATOM 337 1HB LYS A 22 -31.178 47.454 10.628 1.00 11.83 H ATOM 338 2HB LYS A 22 -30.800 46.622 12.152 1.00 11.83 H ATOM 339 CG LYS A 22 -31.664 45.370 10.629 1.00 11.83 C ATOM 340 1HG LYS A 22 -32.054 44.660 11.345 1.00 11.83 H ATOM 341 2HG LYS A 22 -32.399 45.486 9.832 1.00 11.83 H ATOM 342 CD LYS A 22 -30.405 44.777 10.027 1.00 11.83 C ATOM 343 1HD LYS A 22 -29.994 45.470 9.293 1.00 11.83 H ATOM 344 2HD LYS A 22 -29.673 44.603 10.809 1.00 11.83 H ATOM 345 CE LYS A 22 -30.725 43.439 9.350 1.00 11.83 C ATOM 346 1HE LYS A 22 -31.537 43.591 8.636 1.00 11.83 H ATOM 347 2HE LYS A 22 -29.840 43.102 8.807 1.00 11.83 H ATOM 348 NZ LYS A 22 -31.126 42.370 10.335 1.00 11.83 N ATOM 349 1HZ LYS A 22 -31.374 41.515 9.864 1.00 11.83 H ATOM 350 2HZ LYS A 22 -31.912 42.679 10.899 1.00 11.83 H ATOM 351 3HZ LYS A 22 -30.355 42.186 10.978 1.00 11.83 H ATOM 352 N CYS A 23 -32.763 46.383 14.231 1.00 9.78 N ATOM 353 H CYS A 23 -32.052 47.085 14.360 1.00 9.78 H ATOM 354 CA CYS A 23 -33.152 45.531 15.357 1.00 9.78 C ATOM 355 HA CYS A 23 -32.987 44.496 15.079 1.00 9.78 H ATOM 356 C CYS A 23 -34.621 45.675 15.744 1.00 9.78 C ATOM 357 O CYS A 23 -35.202 44.768 16.326 1.00 9.78 O ATOM 358 CB CYS A 23 -32.325 45.838 16.605 1.00 9.78 C ATOM 359 1HB CYS A 23 -32.433 46.898 16.833 1.00 9.78 H ATOM 360 2HB CYS A 23 -32.747 45.275 17.438 1.00 9.78 H ATOM 361 SG CYS A 23 -30.550 45.445 16.511 1.00 9.78 S ATOM 362 N LYS A 24 -35.217 46.818 15.433 1.00-12.60 N ATOM 363 H LYS A 24 -34.705 47.524 14.920 1.00-12.60 H ATOM 364 CA LYS A 24 -36.601 47.108 15.809 1.00-12.60 C ATOM 365 HA LYS A 24 -36.845 46.595 16.740 1.00-12.60 H ATOM 366 C LYS A 24 -37.606 46.642 14.764 1.00-12.60 C ATOM 367 O LYS A 24 -38.797 46.622 15.040 1.00-12.60 O ATOM 368 CB LYS A 24 -36.738 48.617 16.035 1.00-12.60 C ATOM 369 1HB LYS A 24 -36.375 49.135 15.148 1.00-12.60 H ATOM 370 2HB LYS A 24 -37.790 48.867 16.177 1.00-12.60 H ATOM 371 CG LYS A 24 -35.957 49.097 17.256 1.00-12.60 C ATOM 372 1HG LYS A 24 -36.425 48.699 18.157 1.00-12.60 H ATOM 373 2HG LYS A 24 -34.939 48.719 17.198 1.00-12.60 H ATOM 374 CD LYS A 24 -35.907 50.617 17.337 1.00-12.60 C ATOM 375 1HD LYS A 24 -35.407 50.994 16.445 1.00-12.60 H ATOM 376 2HD LYS A 24 -36.924 51.010 17.359 1.00-12.60 H ATOM 377 CE LYS A 24 -35.152 51.109 18.578 1.00-12.60 C ATOM 378 1HE LYS A 24 -35.139 52.200 18.562 1.00-12.60 H ATOM 379 2HE LYS A 24 -35.687 50.781 19.471 1.00-12.60 H ATOM 380 NZ LYS A 24 -33.741 50.597 18.639 1.00-12.60 N ATOM 381 1HZ LYS A 24 -33.184 51.105 19.317 1.00-12.60 H ATOM 382 2HZ LYS A 24 -33.294 50.688 17.733 1.00-12.60 H ATOM 383 3HZ LYS A 24 -33.731 49.619 18.884 1.00-12.60 H ATOM 384 N ILE A 25 -37.131 46.281 13.579 1.00-18.05 N ATOM 385 H ILE A 25 -36.136 46.322 13.417 1.00-18.05 H ATOM 386 CA ILE A 25 -38.014 45.893 12.471 1.00-18.05 C ATOM 387 HA ILE A 25 -39.051 45.969 12.798 1.00-18.05 H ATOM 388 C ILE A 25 -37.789 44.440 12.036 1.00-18.05 C ATOM 389 O ILE A 25 -38.741 43.688 11.870 1.00-18.05 O ATOM 390 CB ILE A 25 -37.831 46.866 11.254 1.00-18.05 C ATOM 391 HB ILE A 25 -36.793 46.812 10.922 1.00-18.05 H ATOM 392 CG1 ILE A 25 -38.141 48.323 11.672 1.00-18.05 C ATOM 393 1HG1 ILE A 25 -39.212 48.410 11.855 1.00-18.05 H ATOM 394 2HG1 ILE A 25 -37.632 48.550 12.605 1.00-18.05 H ATOM 395 CG2 ILE A 25 -38.760 46.474 10.070 1.00-18.05 C ATOM 396 1HG2 ILE A 25 -38.579 47.118 9.211 1.00-18.05 H ATOM 397 2HG2 ILE A 25 -39.806 46.559 10.370 1.00-18.05 H ATOM 398 3HG2 ILE A 25 -38.574 45.445 9.762 1.00-18.05 H ATOM 399 CD1 ILE A 25 -37.724 49.405 10.662 1.00-18.05 C ATOM 400 1HD1 ILE A 25 -37.885 50.388 11.105 1.00-18.05 H ATOM 401 2HD1 ILE A 25 -38.322 49.328 9.754 1.00-18.05 H ATOM 402 3HD1 ILE A 25 -36.668 49.293 10.416 1.00-18.05 H ATOM 403 N THR A 26 -36.543 44.024 11.851 1.00 12.10 N ATOM 404 H THR A 26 -35.762 44.643 12.049 1.00 12.10 H ATOM 405 CA THR A 26 -36.236 42.703 11.283 1.00 12.10 C ATOM 406 HA THR A 26 -37.154 42.157 11.070 1.00 12.10 H ATOM 407 C THR A 26 -35.369 41.853 12.202 1.00 12.10 C ATOM 408 O THR A 26 -34.732 40.904 11.745 1.00 12.10 O ATOM 409 CB THR A 26 -35.433 42.861 9.972 1.00 12.10 C ATOM 410 HB THR A 26 -35.198 41.879 9.564 1.00 12.10 H ATOM 411 OG1 THR A 26 -34.225 43.573 10.251 1.00 12.10 O ATOM 412 HG1 THR A 26 -33.886 43.262 11.103 1.00 12.10 H ATOM 413 CG2 THR A 26 -36.191 43.662 8.924 1.00 12.10 C ATOM 414 1HG2 THR A 26 -35.653 43.608 7.979 1.00 12.10 H ATOM 415 2HG2 THR A 26 -36.266 44.704 9.231 1.00 12.10 H ATOM 416 3HG2 THR A 26 -37.191 43.246 8.789 1.00 12.10 H ATOM 417 N ALA A 27 -35.271 42.286 13.454 1.00 28.95 N ATOM 418 H ALA A 27 -35.905 43.009 13.754 1.00 28.95 H ATOM 419 CA ALA A 27 -34.219 41.883 14.395 1.00 28.95 C ATOM 420 HA ALA A 27 -34.370 42.457 15.309 1.00 28.95 H ATOM 421 C ALA A 27 -32.822 42.256 13.860 1.00 28.95 C ATOM 422 O ALA A 27 -32.674 42.775 12.750 1.00 28.95 O ATOM 423 CB ALA A 27 -34.328 40.388 14.781 1.00 28.95 C ATOM 424 1HB ALA A 27 -35.352 40.161 15.080 1.00 28.95 H ATOM 425 2HB ALA A 27 -33.657 40.164 15.609 1.00 28.95 H ATOM 426 3HB ALA A 27 -34.059 39.763 13.927 1.00 28.95 H ATOM 427 N CYS A 28 -31.808 42.101 14.699 1.00 6.39 N ATOM 428 H CYS A 28 -31.955 41.639 15.578 1.00 6.39 H ATOM 429 CA CYS A 28 -30.468 42.597 14.388 1.00 6.39 C ATOM 430 HA CYS A 28 -30.550 43.603 13.979 1.00 6.39 H ATOM 431 C CYS A 28 -29.761 41.709 13.368 1.00 6.39 C ATOM 432 O CYS A 28 -29.217 42.218 12.370 1.00 6.39 O ATOM 433 OXT CYS A 28 -29.747 40.489 13.600 1.00 6.39 O ATOM 434 CB CYS A 28 -29.633 42.636 15.669 1.00 6.39 C ATOM 435 1HB CYS A 28 -29.439 41.607 15.971 1.00 6.39 H ATOM 436 2HB CYS A 28 -28.674 43.103 15.443 1.00 6.39 H ATOM 437 SG CYS A 28 -30.402 43.502 17.077 1.00 6.39 S TER 438 CYS A 28 CONECT 361 358 437 CONECT 437 361 434 END
SEQUENCE	GIMDTVKNVAKNLAGQLLDKLKCKITAC
HELICITY	89.30	INSTAB. INDEX	3.78	FLEXIBILITY	12.71
a HYD. MOM.	68.98	b HYD. MOM.	35.35	c HYD. MOM	5.04
a MEAN HYD. MOM.	2.46	b MEAN HYD. MOM.	1.26	c MEAN HYD. MOM.	0.18
CHARGE pH5	3.14	CHARGE pH7	2.91	CHARGE pH9	1.03
Δ CHARGE pH5-pH9	2.11	ISOELECTRIC POINT	9.24	BOMAN INDEX	0.69
ΔG	19	CPP	-0,29	MLP	-12,35
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Rana	SPECIES	Rana palustris
DATE	2000
TITLE PAPER	Multiple antimicrobial peptides and peptides related to bradykinin and neuromedin N isolated from skin secretions of the pickerel frog, Rana palustris.