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ID	1659	NAME	Ranatuerin-2PLe   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\GIMDSVKNAAKNLAGQLLDTIKCKITAC.pdb REMARK YASARA Written on: Wed May 14 13:44:43 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 420 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 SER VAL LYS ASN ALA ALA LYS ASN LEU SEQRES 2 A 28 ALA GLY GLN LEU LEU ASP THR ILE 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 2.02 ATOM 1 N GLY A 1 -22.479 -6.448 -23.973 1.00-33.66 N ATOM 2 1H GLY A 1 -22.359 -6.888 -23.071 1.00-33.66 H ATOM 3 2H GLY A 1 -23.464 -6.417 -24.199 1.00-33.66 H ATOM 4 3H GLY A 1 -22.113 -5.508 -23.945 1.00-33.66 H ATOM 5 CA GLY A 1 -21.764 -7.233 -25.013 1.00-33.66 C ATOM 6 1HA GLY A 1 -20.708 -7.291 -24.756 1.00-33.66 H ATOM 7 2HA GLY A 1 -22.188 -8.237 -25.046 1.00-33.66 H ATOM 8 C GLY A 1 -21.916 -6.591 -26.369 1.00-33.66 C ATOM 9 O GLY A 1 -22.769 -5.734 -26.515 1.00-33.66 O ATOM 10 N ILE A 2 -21.113 -6.961 -27.361 1.00-29.86 N ATOM 11 H ILE A 2 -20.430 -7.692 -27.224 1.00-29.86 H ATOM 12 CA ILE A 2 -21.150 -6.288 -28.670 1.00-29.86 C ATOM 13 HA ILE A 2 -21.019 -5.216 -28.516 1.00-29.86 H ATOM 14 C ILE A 2 -22.504 -6.499 -29.353 1.00-29.86 C ATOM 15 O ILE A 2 -23.091 -5.577 -29.917 1.00-29.86 O ATOM 16 CB ILE A 2 -19.998 -6.801 -29.601 1.00-29.86 C ATOM 17 HB ILE A 2 -20.131 -7.873 -29.754 1.00-29.86 H ATOM 18 CG1 ILE A 2 -18.629 -6.570 -28.923 1.00-29.86 C ATOM 19 1HG1 ILE A 2 -18.453 -5.496 -28.856 1.00-29.86 H ATOM 20 2HG1 ILE A 2 -18.655 -6.967 -27.911 1.00-29.86 H ATOM 21 CG2 ILE A 2 -20.040 -6.099 -30.986 1.00-29.86 C ATOM 22 1HG2 ILE A 2 -19.257 -6.490 -31.637 1.00-29.86 H ATOM 23 2HG2 ILE A 2 -19.898 -5.021 -30.872 1.00-29.86 H ATOM 24 3HG2 ILE A 2 -20.996 -6.277 -31.481 1.00-29.86 H ATOM 25 CD1 ILE A 2 -17.420 -7.215 -29.624 1.00-29.86 C ATOM 26 1HD1 ILE A 2 -16.532 -7.083 -29.006 1.00-29.86 H ATOM 27 2HD1 ILE A 2 -17.243 -6.741 -30.590 1.00-29.86 H ATOM 28 3HD1 ILE A 2 -17.596 -8.282 -29.770 1.00-29.86 H ATOM 29 N MET A 3 -23.041 -7.705 -29.243 1.00-18.44 N ATOM 30 H MET A 3 -22.555 -8.427 -28.739 1.00-18.44 H ATOM 31 CA MET A 3 -24.321 -8.033 -29.870 1.00-18.44 C ATOM 32 HA MET A 3 -24.276 -7.760 -30.925 1.00-18.44 H ATOM 33 C MET A 3 -25.501 -7.292 -29.251 1.00-18.44 C ATOM 34 O MET A 3 -26.551 -7.174 -29.867 1.00-18.44 O ATOM 35 CB MET A 3 -24.579 -9.537 -29.770 1.00-18.44 C ATOM 36 1HB MET A 3 -24.585 -9.821 -28.718 1.00-18.44 H ATOM 37 2HB MET A 3 -25.561 -9.748 -30.192 1.00-18.44 H ATOM 38 CG MET A 3 -23.540 -10.379 -30.501 1.00-18.44 C ATOM 39 1HG MET A 3 -23.548 -10.121 -31.561 1.00-18.44 H ATOM 40 2HG MET A 3 -22.553 -10.162 -30.095 1.00-18.44 H ATOM 41 SD MET A 3 -23.850 -12.145 -30.318 1.00-18.44 S ATOM 42 CE MET A 3 -25.243 -12.431 -31.439 1.00-18.44 C ATOM 43 1HE MET A 3 -25.502 -13.491 -31.428 1.00-18.44 H ATOM 44 2HE MET A 3 -24.965 -12.142 -32.452 1.00-18.44 H ATOM 45 3HE MET A 3 -26.106 -11.850 -31.116 1.00-18.44 H ATOM 46 N ASP A 4 -25.340 -6.756 -28.050 1.00 -9.45 N ATOM 47 H ASP A 4 -24.460 -6.833 -27.563 1.00 -9.45 H ATOM 48 CA ASP A 4 -26.437 -6.034 -27.412 1.00 -9.45 C ATOM 49 HA ASP A 4 -27.342 -6.627 -27.512 1.00 -9.45 H ATOM 50 C ASP A 4 -26.652 -4.698 -28.105 1.00 -9.45 C ATOM 51 O ASP A 4 -27.776 -4.247 -28.273 1.00 -9.45 O ATOM 52 CB ASP A 4 -26.159 -5.830 -25.928 1.00 -9.45 C ATOM 53 1HB ASP A 4 -25.217 -5.296 -25.816 1.00 -9.45 H ATOM 54 2HB ASP A 4 -26.954 -5.225 -25.492 1.00 -9.45 H ATOM 55 CG ASP A 4 -26.072 -7.142 -25.188 1.00 -9.45 C ATOM 56 OD1 ASP A 4 -27.074 -7.886 -25.163 1.00 -9.45 O ATOM 57 OD2 ASP A 4 -24.976 -7.462 -24.679 1.00 -9.45 O ATOM 58 N SER A 5 -25.581 -4.087 -28.585 1.00-11.19 N ATOM 59 H SER A 5 -24.655 -4.459 -28.421 1.00-11.19 H ATOM 60 CA SER A 5 -25.715 -2.862 -29.365 1.00-11.19 C ATOM 61 HA SER A 5 -26.337 -2.151 -28.821 1.00-11.19 H ATOM 62 C SER A 5 -26.377 -3.169 -30.704 1.00-11.19 C ATOM 63 O SER A 5 -27.182 -2.394 -31.205 1.00-11.19 O ATOM 64 CB SER A 5 -24.333 -2.256 -29.597 1.00-11.19 C ATOM 65 1HB SER A 5 -24.122 -2.220 -30.667 1.00-11.19 H ATOM 66 2HB SER A 5 -24.314 -1.243 -29.194 1.00-11.19 H ATOM 67 OG SER A 5 -23.349 -3.043 -28.941 1.00-11.19 O ATOM 68 HG SER A 5 -23.132 -3.805 -29.502 1.00-11.19 H ATOM 69 N VAL A 6 -26.056 -4.327 -31.266 1.00-11.50 N ATOM 70 H VAL A 6 -25.413 -4.946 -30.798 1.00-11.50 H ATOM 71 CA VAL A 6 -26.596 -4.725 -32.567 1.00-11.50 C ATOM 72 HA VAL A 6 -26.477 -3.890 -33.257 1.00-11.50 H ATOM 73 C VAL A 6 -28.090 -5.027 -32.461 1.00-11.50 C ATOM 74 O VAL A 6 -28.873 -4.571 -33.287 1.00-11.50 O ATOM 75 CB VAL A 6 -25.833 -5.957 -33.143 1.00-11.50 C ATOM 76 HB VAL A 6 -25.947 -6.793 -32.456 1.00-11.50 H ATOM 77 CG1 VAL A 6 -26.381 -6.378 -34.515 1.00-11.50 C ATOM 78 1HG1 VAL A 6 -25.806 -7.218 -34.905 1.00-11.50 H ATOM 79 2HG1 VAL A 6 -26.320 -5.545 -35.218 1.00-11.50 H ATOM 80 3HG1 VAL A 6 -27.422 -6.688 -34.425 1.00-11.50 H ATOM 81 CG2 VAL A 6 -24.330 -5.646 -33.280 1.00-11.50 C ATOM 82 1HG2 VAL A 6 -23.812 -6.508 -33.700 1.00-11.50 H ATOM 83 2HG2 VAL A 6 -23.894 -5.425 -32.309 1.00-11.50 H ATOM 84 3HG2 VAL A 6 -24.184 -4.788 -33.940 1.00-11.50 H ATOM 85 N LYS A 7 -28.514 -5.756 -31.436 1.00 -2.26 N ATOM 86 H LYS A 7 -27.847 -6.121 -30.759 1.00 -2.26 H ATOM 87 CA LYS A 7 -29.939 -6.077 -31.300 1.00 -2.26 C ATOM 88 HA LYS A 7 -30.285 -6.447 -32.267 1.00 -2.26 H ATOM 89 C LYS A 7 -30.743 -4.818 -30.990 1.00 -2.26 C ATOM 90 O LYS A 7 -31.882 -4.693 -31.415 1.00 -2.26 O ATOM 91 CB LYS A 7 -30.181 -7.181 -30.255 1.00 -2.26 C ATOM 92 1HB LYS A 7 -31.185 -7.581 -30.401 1.00 -2.26 H ATOM 93 2HB LYS A 7 -29.464 -7.983 -30.433 1.00 -2.26 H ATOM 94 CG LYS A 7 -30.069 -6.721 -28.810 1.00 -2.26 C ATOM 95 1HG LYS A 7 -29.137 -6.187 -28.700 1.00 -2.26 H ATOM 96 2HG LYS A 7 -30.891 -6.039 -28.595 1.00 -2.26 H ATOM 97 CD LYS A 7 -30.082 -7.829 -27.782 1.00 -2.26 C ATOM 98 1HD LYS A 7 -30.958 -8.463 -27.924 1.00 -2.26 H ATOM 99 2HD LYS A 7 -29.174 -8.424 -27.888 1.00 -2.26 H ATOM 100 CE LYS A 7 -30.126 -7.188 -26.396 1.00 -2.26 C ATOM 101 1HE LYS A 7 -29.362 -6.408 -26.349 1.00 -2.26 H ATOM 102 2HE LYS A 7 -31.100 -6.714 -26.258 1.00 -2.26 H ATOM 103 NZ LYS A 7 -29.873 -8.169 -25.290 1.00 -2.26 N ATOM 104 1HZ LYS A 7 -30.086 -7.745 -24.399 1.00 -2.26 H ATOM 105 2HZ LYS A 7 -28.881 -8.417 -25.287 1.00 -2.26 H ATOM 106 3HZ LYS A 7 -30.431 -9.000 -25.417 1.00 -2.26 H ATOM 107 N ASN A 8 -30.151 -3.867 -30.279 1.00 2.82 N ATOM 108 H ASN A 8 -29.216 -4.013 -29.920 1.00 2.82 H ATOM 109 CA ASN A 8 -30.853 -2.628 -29.952 1.00 2.82 C ATOM 110 HA ASN A 8 -31.849 -2.870 -29.577 1.00 2.82 H ATOM 111 C ASN A 8 -31.017 -1.767 -31.200 1.00 2.82 C ATOM 112 O ASN A 8 -32.013 -1.067 -31.341 1.00 2.82 O ATOM 113 CB ASN A 8 -30.102 -1.837 -28.876 1.00 2.82 C ATOM 114 1HB ASN A 8 -29.062 -1.716 -29.176 1.00 2.82 H ATOM 115 2HB ASN A 8 -30.557 -0.850 -28.796 1.00 2.82 H ATOM 116 CG ASN A 8 -30.157 -2.493 -27.511 1.00 2.82 C ATOM 117 OD1 ASN A 8 -30.877 -3.456 -27.273 1.00 2.82 O ATOM 118 ND2 ASN A 8 -29.409 -1.953 -26.588 1.00 2.82 N ATOM 119 1HD2 ASN A 8 -29.429 -2.350 -25.667 1.00 2.82 H ATOM 120 2HD2 ASN A 8 -28.830 -1.164 -26.810 1.00 2.82 H ATOM 121 N ALA A 9 -30.061 -1.860 -32.118 1.00 18.61 N ATOM 122 H ALA A 9 -29.263 -2.457 -31.944 1.00 18.61 H ATOM 123 CA ALA A 9 -30.085 -1.119 -33.380 1.00 18.61 C ATOM 124 HA ALA A 9 -30.327 -0.079 -33.153 1.00 18.61 H ATOM 125 C ALA A 9 -31.141 -1.619 -34.377 1.00 18.61 C ATOM 126 O ALA A 9 -31.246 -1.092 -35.488 1.00 18.61 O ATOM 127 CB ALA A 9 -28.688 -1.155 -34.018 1.00 18.61 C ATOM 128 1HB ALA A 9 -27.949 -0.779 -33.310 1.00 18.61 H ATOM 129 2HB ALA A 9 -28.683 -0.529 -34.910 1.00 18.61 H ATOM 130 3HB ALA A 9 -28.437 -2.179 -34.298 1.00 18.61 H ATOM 131 N ALA A 10 -31.932 -2.611 -33.982 1.00 19.03 N ATOM 132 H ALA A 10 -31.744 -3.081 -33.109 1.00 19.03 H ATOM 133 CA ALA A 10 -33.130 -2.978 -34.731 1.00 19.03 C ATOM 134 HA ALA A 10 -32.860 -3.179 -35.768 1.00 19.03 H ATOM 135 C ALA A 10 -34.099 -1.788 -34.702 1.00 19.03 C ATOM 136 O ALA A 10 -34.798 -1.530 -35.678 1.00 19.03 O ATOM 137 CB ALA A 10 -33.774 -4.228 -34.122 1.00 19.03 C ATOM 138 1HB ALA A 10 -33.070 -5.060 -34.163 1.00 19.03 H ATOM 139 2HB ALA A 10 -34.670 -4.485 -34.687 1.00 19.03 H ATOM 140 3HB ALA A 10 -34.046 -4.040 -33.082 1.00 19.03 H ATOM 141 N LYS A 11 -34.068 -1.025 -33.613 1.00 17.84 N ATOM 142 H LYS A 11 -33.497 -1.303 -32.822 1.00 17.84 H ATOM 143 CA LYS A 11 -34.641 0.320 -33.598 1.00 17.84 C ATOM 144 HA LYS A 11 -35.560 0.359 -34.191 1.00 17.84 H ATOM 145 C LYS A 11 -33.550 1.123 -34.282 1.00 17.84 C ATOM 146 O LYS A 11 -32.486 1.373 -33.714 1.00 17.84 O ATOM 147 CB LYS A 11 -34.883 0.825 -32.176 1.00 17.84 C ATOM 148 1HB LYS A 11 -35.563 0.139 -31.671 1.00 17.84 H ATOM 149 2HB LYS A 11 -33.933 0.824 -31.641 1.00 17.84 H ATOM 150 CG LYS A 11 -35.467 2.232 -32.115 1.00 17.84 C ATOM 151 1HG LYS A 11 -34.842 2.912 -32.695 1.00 17.84 H ATOM 152 2HG LYS A 11 -36.472 2.223 -32.537 1.00 17.84 H ATOM 153 CD LYS A 11 -35.511 2.710 -30.669 1.00 17.84 C ATOM 154 1HD LYS A 11 -36.134 2.032 -30.084 1.00 17.84 H ATOM 155 2HD LYS A 11 -34.496 2.690 -30.265 1.00 17.84 H ATOM 156 CE LYS A 11 -36.049 4.129 -30.545 1.00 17.84 C ATOM 157 1HE LYS A 11 -35.908 4.468 -29.517 1.00 17.84 H ATOM 158 2HE LYS A 11 -35.464 4.778 -31.197 1.00 17.84 H ATOM 159 NZ LYS A 11 -37.493 4.248 -30.903 1.00 17.84 N ATOM 160 1HZ LYS A 11 -37.798 5.216 -30.785 1.00 17.84 H ATOM 161 2HZ LYS A 11 -38.050 3.660 -30.304 1.00 17.84 H ATOM 162 3HZ LYS A 11 -37.635 3.977 -31.866 1.00 17.84 H ATOM 163 N ASN A 12 -33.757 1.418 -35.549 1.00 26.33 N ATOM 164 H ASN A 12 -34.675 1.243 -35.954 1.00 26.33 H ATOM 165 CA ASN A 12 -32.692 1.976 -36.360 1.00 26.33 C ATOM 166 HA ASN A 12 -31.796 1.367 -36.234 1.00 26.33 H ATOM 167 C ASN A 12 -32.414 3.396 -35.885 1.00 26.33 C ATOM 168 O ASN A 12 -33.339 4.120 -35.521 1.00 26.33 O ATOM 169 CB ASN A 12 -33.109 1.957 -37.829 1.00 26.33 C ATOM 170 1HB ASN A 12 -33.518 0.973 -38.057 1.00 26.33 H ATOM 171 2HB ASN A 12 -33.884 2.704 -37.995 1.00 26.33 H ATOM 172 CG ASN A 12 -31.955 2.219 -38.752 1.00 26.33 C ATOM 173 OD1 ASN A 12 -31.507 3.346 -38.908 1.00 26.33 O ATOM 174 ND2 ASN A 12 -31.440 1.184 -39.352 1.00 26.33 N ATOM 175 1HD2 ASN A 12 -30.674 1.324 -39.986 1.00 26.33 H ATOM 176 2HD2 ASN A 12 -31.804 0.263 -39.164 1.00 26.33 H ATOM 177 N LEU A 13 -31.166 3.841 -35.938 1.00 -8.44 N ATOM 178 H LEU A 13 -30.430 3.226 -36.248 1.00 -8.44 H ATOM 179 CA LEU A 13 -30.841 5.213 -35.548 1.00 -8.44 C ATOM 180 HA LEU A 13 -31.145 5.353 -34.511 1.00 -8.44 H ATOM 181 C LEU A 13 -31.598 6.233 -36.397 1.00 -8.44 C ATOM 182 O LEU A 13 -32.087 7.224 -35.872 1.00 -8.44 O ATOM 183 CB LEU A 13 -29.333 5.458 -35.665 1.00 -8.44 C ATOM 184 1HB LEU A 13 -28.821 4.706 -35.064 1.00 -8.44 H ATOM 185 2HB LEU A 13 -29.048 5.305 -36.706 1.00 -8.44 H ATOM 186 CG LEU A 13 -28.818 6.847 -35.239 1.00 -8.44 C ATOM 187 HG LEU A 13 -29.301 7.601 -35.858 1.00 -8.44 H ATOM 188 CD1 LEU A 13 -29.107 7.175 -33.772 1.00 -8.44 C ATOM 189 1HD1 LEU A 13 -28.672 8.141 -33.519 1.00 -8.44 H ATOM 190 2HD1 LEU A 13 -28.686 6.406 -33.121 1.00 -8.44 H ATOM 191 3HD1 LEU A 13 -30.184 7.236 -33.612 1.00 -8.44 H ATOM 192 CD2 LEU A 13 -27.315 6.928 -35.491 1.00 -8.44 C ATOM 193 1HD2 LEU A 13 -26.954 7.925 -35.238 1.00 -8.44 H ATOM 194 2HD2 LEU A 13 -27.105 6.742 -36.545 1.00 -8.44 H ATOM 195 3HD2 LEU A 13 -26.788 6.191 -34.882 1.00 -8.44 H ATOM 196 N ALA A 14 -31.772 5.975 -37.686 1.00 7.44 N ATOM 197 H ALA A 14 -31.400 5.118 -38.088 1.00 7.44 H ATOM 198 CA ALA A 14 -32.521 6.892 -38.543 1.00 7.44 C ATOM 199 HA ALA A 14 -32.119 7.897 -38.415 1.00 7.44 H ATOM 200 C ALA A 14 -34.002 6.928 -38.150 1.00 7.44 C ATOM 201 O ALA A 14 -34.683 7.926 -38.346 1.00 7.44 O ATOM 202 CB ALA A 14 -32.359 6.484 -40.011 1.00 7.44 C ATOM 203 1HB ALA A 14 -31.303 6.494 -40.283 1.00 7.44 H ATOM 204 2HB ALA A 14 -32.896 7.192 -40.644 1.00 7.44 H ATOM 205 3HB ALA A 14 -32.764 5.482 -40.168 1.00 7.44 H ATOM 206 N GLY A 15 -34.495 5.849 -37.561 1.00 27.31 N ATOM 207 H GLY A 15 -33.902 5.050 -37.380 1.00 27.31 H ATOM 208 CA GLY A 15 -35.869 5.819 -37.096 1.00 27.31 C ATOM 209 1HA GLY A 15 -36.513 6.296 -37.832 1.00 27.31 H ATOM 210 2HA GLY A 15 -36.180 4.784 -36.954 1.00 27.31 H ATOM 211 C GLY A 15 -35.991 6.560 -35.781 1.00 27.31 C ATOM 212 O GLY A 15 -36.967 7.262 -35.555 1.00 27.31 O ATOM 213 N GLN A 16 -34.981 6.448 -34.931 1.00 9.35 N ATOM 214 H GLN A 16 -34.209 5.829 -35.165 1.00 9.35 H ATOM 215 CA GLN A 16 -34.936 7.161 -33.653 1.00 9.35 C ATOM 216 HA GLN A 16 -35.876 6.998 -33.127 1.00 9.35 H ATOM 217 C GLN A 16 -34.753 8.671 -33.833 1.00 9.35 C ATOM 218 O GLN A 16 -35.314 9.470 -33.089 1.00 9.35 O ATOM 219 CB GLN A 16 -33.798 6.591 -32.802 1.00 9.35 C ATOM 220 1HB GLN A 16 -33.925 5.510 -32.748 1.00 9.35 H ATOM 221 2HB GLN A 16 -32.846 6.800 -33.289 1.00 9.35 H ATOM 222 CG GLN A 16 -33.749 7.149 -31.383 1.00 9.35 C ATOM 223 1HG GLN A 16 -33.503 8.209 -31.424 1.00 9.35 H ATOM 224 2HG GLN A 16 -34.730 7.037 -30.923 1.00 9.35 H ATOM 225 CD GLN A 16 -32.732 6.442 -30.520 1.00 9.35 C ATOM 226 OE1 GLN A 16 -32.849 5.260 -30.250 1.00 9.35 O ATOM 227 NE2 GLN A 16 -31.735 7.157 -30.071 1.00 9.35 N ATOM 228 1HE2 GLN A 16 -31.049 6.703 -29.492 1.00 9.35 H ATOM 229 2HE2 GLN A 16 -31.667 8.134 -30.296 1.00 9.35 H ATOM 230 N LEU A 17 -34.039 9.082 -34.869 1.00-11.69 N ATOM 231 H LEU A 17 -33.563 8.398 -35.452 1.00-11.69 H ATOM 232 CA LEU A 17 -33.906 10.506 -35.194 1.00-11.69 C ATOM 233 HA LEU A 17 -33.581 11.048 -34.308 1.00-11.69 H ATOM 234 C LEU A 17 -35.243 11.107 -35.625 1.00-11.69 C ATOM 235 O LEU A 17 -35.429 12.319 -35.597 1.00-11.69 O ATOM 236 CB LEU A 17 -32.871 10.698 -36.309 1.00-11.69 C ATOM 237 1HB LEU A 17 -33.118 10.005 -37.114 1.00-11.69 H ATOM 238 2HB LEU A 17 -32.981 11.709 -36.700 1.00-11.69 H ATOM 239 CG LEU A 17 -31.391 10.505 -35.932 1.00-11.69 C ATOM 240 HG LEU A 17 -31.279 9.555 -35.418 1.00-11.69 H ATOM 241 CD1 LEU A 17 -30.530 10.468 -37.192 1.00-11.69 C ATOM 242 1HD1 LEU A 17 -29.487 10.304 -36.920 1.00-11.69 H ATOM 243 2HD1 LEU A 17 -30.618 11.409 -37.737 1.00-11.69 H ATOM 244 3HD1 LEU A 17 -30.855 9.649 -37.832 1.00-11.69 H ATOM 245 CD2 LEU A 17 -30.879 11.607 -35.000 1.00-11.69 C ATOM 246 1HD2 LEU A 17 -29.824 11.442 -34.781 1.00-11.69 H ATOM 247 2HD2 LEU A 17 -31.433 11.588 -34.063 1.00-11.69 H ATOM 248 3HD2 LEU A 17 -31.002 12.584 -35.471 1.00-11.69 H ATOM 249 N LEU A 18 -36.186 10.248 -35.982 1.00 -5.19 N ATOM 250 H LEU A 18 -35.974 9.260 -35.981 1.00 -5.19 H ATOM 251 CA LEU A 18 -37.529 10.651 -36.384 1.00 -5.19 C ATOM 252 HA LEU A 18 -37.600 11.738 -36.399 1.00 -5.19 H ATOM 253 C LEU A 18 -38.570 10.114 -35.402 1.00 -5.19 C ATOM 254 O LEU A 18 -39.742 10.000 -35.757 1.00 -5.19 O ATOM 255 CB LEU A 18 -37.809 10.108 -37.792 1.00 -5.19 C ATOM 256 1HB LEU A 18 -37.742 9.021 -37.744 1.00 -5.19 H ATOM 257 2HB LEU A 18 -38.830 10.371 -38.064 1.00 -5.19 H ATOM 258 CG LEU A 18 -36.895 10.584 -38.931 1.00 -5.19 C ATOM 259 HG LEU A 18 -35.859 10.381 -38.666 1.00 -5.19 H ATOM 260 CD1 LEU A 18 -37.222 9.803 -40.204 1.00 -5.19 C ATOM 261 1HD1 LEU A 18 -36.563 10.132 -41.008 1.00 -5.19 H ATOM 262 2HD1 LEU A 18 -38.259 9.965 -40.494 1.00 -5.19 H ATOM 263 3HD1 LEU A 18 -37.044 8.742 -40.029 1.00 -5.19 H ATOM 264 CD2 LEU A 18 -37.036 12.084 -39.197 1.00 -5.19 C ATOM 265 1HD2 LEU A 18 -36.401 12.369 -40.036 1.00 -5.19 H ATOM 266 2HD2 LEU A 18 -36.709 12.646 -38.320 1.00 -5.19 H ATOM 267 3HD2 LEU A 18 -38.071 12.336 -39.424 1.00 -5.19 H ATOM 268 N ASP A 19 -38.164 9.764 -34.185 1.00 32.31 N ATOM 269 H ASP A 19 -37.205 9.959 -33.910 1.00 32.31 H ATOM 270 CA ASP A 19 -39.012 9.007 -33.245 1.00 32.31 C ATOM 271 HA ASP A 19 -39.197 8.026 -33.674 1.00 32.31 H ATOM 272 C ASP A 19 -40.363 9.660 -32.995 1.00 32.31 C ATOM 273 O ASP A 19 -41.410 9.000 -33.000 1.00 32.31 O ATOM 274 CB ASP A 19 -38.285 8.837 -31.899 1.00 32.31 C ATOM 275 1HB ASP A 19 -37.305 8.413 -32.090 1.00 32.31 H ATOM 276 2HB ASP A 19 -38.156 9.813 -31.431 1.00 32.31 H ATOM 277 CG ASP A 19 -39.009 7.911 -30.922 1.00 32.31 C ATOM 278 OD1 ASP A 19 -38.384 6.897 -30.535 1.00 32.31 O ATOM 279 OD2 ASP A 19 -40.166 8.170 -30.517 1.00 32.31 O ATOM 280 N THR A 20 -40.328 10.979 -32.879 1.00 17.02 N ATOM 281 H THR A 20 -39.446 11.452 -33.016 1.00 17.02 H ATOM 282 CA THR A 20 -41.488 11.811 -32.570 1.00 17.02 C ATOM 283 HA THR A 20 -41.883 11.537 -31.595 1.00 17.02 H ATOM 284 C THR A 20 -42.623 11.691 -33.579 1.00 17.02 C ATOM 285 O THR A 20 -43.774 11.959 -33.245 1.00 17.02 O ATOM 286 CB THR A 20 -41.050 13.284 -32.542 1.00 17.02 C ATOM 287 HB THR A 20 -41.923 13.931 -32.452 1.00 17.02 H ATOM 288 OG1 THR A 20 -40.338 13.566 -33.751 1.00 17.02 O ATOM 289 HG1 THR A 20 -40.074 14.490 -33.737 1.00 17.02 H ATOM 290 CG2 THR A 20 -40.088 13.561 -31.395 1.00 17.02 C ATOM 291 1HG2 THR A 20 -39.879 14.630 -31.351 1.00 17.02 H ATOM 292 2HG2 THR A 20 -39.149 13.027 -31.543 1.00 17.02 H ATOM 293 3HG2 THR A 20 -40.535 13.252 -30.450 1.00 17.02 H ATOM 294 N ILE A 21 -42.306 11.246 -34.786 1.00 -2.39 N ATOM 295 H ILE A 21 -41.330 11.055 -34.989 1.00 -2.39 H ATOM 296 CA ILE A 21 -43.305 11.005 -35.825 1.00 -2.39 C ATOM 297 HA ILE A 21 -44.294 11.277 -35.458 1.00 -2.39 H ATOM 298 C ILE A 21 -43.310 9.514 -36.165 1.00 -2.39 C ATOM 299 O ILE A 21 -44.305 8.812 -35.982 1.00 -2.39 O ATOM 300 CB ILE A 21 -42.998 11.858 -37.101 1.00 -2.39 C ATOM 301 HB ILE A 21 -42.016 11.575 -37.481 1.00 -2.39 H ATOM 302 CG1 ILE A 21 -42.954 13.360 -36.743 1.00 -2.39 C ATOM 303 1HG1 ILE A 21 -43.958 13.680 -36.462 1.00 -2.39 H ATOM 304 2HG1 ILE A 21 -42.305 13.508 -35.882 1.00 -2.39 H ATOM 305 CG2 ILE A 21 -44.053 11.589 -38.208 1.00 -2.39 C ATOM 306 1HG2 ILE A 21 -43.807 12.150 -39.109 1.00 -2.39 H ATOM 307 2HG2 ILE A 21 -45.045 11.888 -37.863 1.00 -2.39 H ATOM 308 3HG2 ILE A 21 -44.072 10.532 -38.467 1.00 -2.39 H ATOM 309 CD1 ILE A 21 -42.437 14.290 -37.852 1.00 -2.39 C ATOM 310 1HD1 ILE A 21 -42.354 15.304 -37.459 1.00 -2.39 H ATOM 311 2HD1 ILE A 21 -43.128 14.298 -38.695 1.00 -2.39 H ATOM 312 3HD1 ILE A 21 -41.454 13.958 -38.187 1.00 -2.39 H ATOM 313 N LYS A 22 -42.180 9.016 -36.650 1.00 9.72 N ATOM 314 H LYS A 22 -41.319 9.553 -36.547 1.00 9.72 H ATOM 315 CA LYS A 22 -42.128 7.755 -37.388 1.00 9.72 C ATOM 316 HA LYS A 22 -42.805 7.836 -38.239 1.00 9.72 H ATOM 317 C LYS A 22 -42.572 6.565 -36.555 1.00 9.72 C ATOM 318 O LYS A 22 -43.356 5.744 -37.034 1.00 9.72 O ATOM 319 CB LYS A 22 -40.704 7.512 -37.904 1.00 9.72 C ATOM 320 1HB LYS A 22 -40.308 8.437 -38.322 1.00 9.72 H ATOM 321 2HB LYS A 22 -40.077 7.216 -37.062 1.00 9.72 H ATOM 322 CG LYS A 22 -40.640 6.437 -38.975 1.00 9.72 C ATOM 323 1HG LYS A 22 -41.296 5.632 -38.678 1.00 9.72 H ATOM 324 2HG LYS A 22 -41.003 6.845 -39.918 1.00 9.72 H ATOM 325 CD LYS A 22 -39.242 5.867 -39.161 1.00 9.72 C ATOM 326 1HD LYS A 22 -38.565 6.664 -39.471 1.00 9.72 H ATOM 327 2HD LYS A 22 -38.898 5.470 -38.206 1.00 9.72 H ATOM 328 CE LYS A 22 -39.218 4.739 -40.203 1.00 9.72 C ATOM 329 1HE LYS A 22 -39.491 5.153 -41.175 1.00 9.72 H ATOM 330 2HE LYS A 22 -38.198 4.354 -40.268 1.00 9.72 H ATOM 331 NZ LYS A 22 -40.152 3.595 -39.882 1.00 9.72 N ATOM 332 1HZ LYS A 22 -39.972 2.798 -40.475 1.00 9.72 H ATOM 333 2HZ LYS A 22 -41.118 3.884 -40.003 1.00 9.72 H ATOM 334 3HZ LYS A 22 -40.051 3.318 -38.911 1.00 9.72 H ATOM 335 N CYS A 23 -42.140 6.508 -35.301 1.00 17.74 N ATOM 336 H CYS A 23 -41.591 7.271 -34.926 1.00 17.74 H ATOM 337 CA CYS A 23 -42.402 5.339 -34.460 1.00 17.74 C ATOM 338 HA CYS A 23 -41.992 4.458 -34.946 1.00 17.74 H ATOM 339 C CYS A 23 -43.882 5.094 -34.224 1.00 17.74 C ATOM 340 O CYS A 23 -44.298 3.969 -33.984 1.00 17.74 O ATOM 341 CB CYS A 23 -41.767 5.491 -33.078 1.00 17.74 C ATOM 342 1HB CYS A 23 -42.152 6.402 -32.623 1.00 17.74 H ATOM 343 2HB CYS A 23 -42.092 4.649 -32.466 1.00 17.74 H ATOM 344 SG CYS A 23 -39.952 5.555 -33.013 1.00 17.74 S ATOM 345 N LYS A 24 -44.676 6.154 -34.278 1.00 -8.64 N ATOM 346 H LYS A 24 -44.304 7.056 -34.553 1.00 -8.64 H ATOM 347 CA LYS A 24 -46.093 6.063 -33.935 1.00 -8.64 C ATOM 348 HA LYS A 24 -46.236 5.282 -33.187 1.00 -8.64 H ATOM 349 C LYS A 24 -46.938 5.690 -35.144 1.00 -8.64 C ATOM 350 O LYS A 24 -48.143 5.527 -35.026 1.00 -8.64 O ATOM 351 CB LYS A 24 -46.560 7.398 -33.343 1.00 -8.64 C ATOM 352 1HB LYS A 24 -46.429 8.182 -34.090 1.00 -8.64 H ATOM 353 2HB LYS A 24 -47.623 7.322 -33.112 1.00 -8.64 H ATOM 354 CG LYS A 24 -45.815 7.789 -32.060 1.00 -8.64 C ATOM 355 1HG LYS A 24 -46.551 8.024 -31.291 1.00 -8.64 H ATOM 356 2HG LYS A 24 -45.216 6.946 -31.718 1.00 -8.64 H ATOM 357 CD LYS A 24 -44.916 9.006 -32.262 1.00 -8.64 C ATOM 358 1HD LYS A 24 -44.195 8.806 -33.055 1.00 -8.64 H ATOM 359 2HD LYS A 24 -45.538 9.849 -32.568 1.00 -8.64 H ATOM 360 CE LYS A 24 -44.164 9.394 -30.985 1.00 -8.64 C ATOM 361 1HE LYS A 24 -43.767 10.401 -31.121 1.00 -8.64 H ATOM 362 2HE LYS A 24 -44.870 9.417 -30.153 1.00 -8.64 H ATOM 363 NZ LYS A 24 -43.020 8.473 -30.653 1.00 -8.64 N ATOM 364 1HZ LYS A 24 -42.547 8.773 -29.811 1.00 -8.64 H ATOM 365 2HZ LYS A 24 -42.326 8.495 -31.400 1.00 -8.64 H ATOM 366 3HZ LYS A 24 -43.345 7.527 -30.533 1.00 -8.64 H ATOM 367 N ILE A 25 -46.297 5.586 -36.301 1.00-19.47 N ATOM 368 H ILE A 25 -45.299 5.727 -36.321 1.00-19.47 H ATOM 369 CA ILE A 25 -47.001 5.326 -37.560 1.00-19.47 C ATOM 370 HA ILE A 25 -48.055 5.151 -37.345 1.00-19.47 H ATOM 371 C ILE A 25 -46.456 4.081 -38.270 1.00-19.47 C ATOM 372 O ILE A 25 -47.213 3.228 -38.711 1.00-19.47 O ATOM 373 CB ILE A 25 -46.907 6.565 -38.519 1.00-19.47 C ATOM 374 HB ILE A 25 -45.870 6.680 -38.837 1.00-19.47 H ATOM 375 CG1 ILE A 25 -47.331 7.864 -37.793 1.00-19.47 C ATOM 376 1HG1 ILE A 25 -48.386 7.787 -37.529 1.00-19.47 H ATOM 377 2HG1 ILE A 25 -46.763 7.964 -36.871 1.00-19.47 H ATOM 378 CG2 ILE A 25 -47.801 6.357 -39.775 1.00-19.47 C ATOM 379 1HG2 ILE A 25 -47.633 7.153 -40.499 1.00-19.47 H ATOM 380 2HG2 ILE A 25 -48.854 6.349 -39.487 1.00-19.47 H ATOM 381 3HG2 ILE A 25 -47.573 5.406 -40.258 1.00-19.47 H ATOM 382 CD1 ILE A 25 -47.121 9.164 -38.581 1.00-19.47 C ATOM 383 1HD1 ILE A 25 -47.315 10.014 -37.926 1.00-19.47 H ATOM 384 2HD1 ILE A 25 -47.809 9.211 -39.426 1.00-19.47 H ATOM 385 3HD1 ILE A 25 -46.094 9.220 -38.940 1.00-19.47 H ATOM 386 N THR A 26 -45.139 3.974 -38.403 1.00 11.33 N ATOM 387 H THR A 26 -44.532 4.666 -37.973 1.00 11.33 H ATOM 388 CA THR A 26 -44.509 2.920 -39.215 1.00 11.33 C ATOM 389 HA THR A 26 -45.252 2.168 -39.484 1.00 11.33 H ATOM 390 C THR A 26 -43.374 2.212 -38.478 1.00 11.33 C ATOM 391 O THR A 26 -42.437 1.719 -39.115 1.00 11.33 O ATOM 392 CB THR A 26 -43.928 3.508 -40.531 1.00 11.33 C ATOM 393 HB THR A 26 -43.440 2.718 -41.102 1.00 11.33 H ATOM 394 OG1 THR A 26 -42.989 4.543 -40.229 1.00 11.33 O ATOM 395 HG1 THR A 26 -43.444 5.203 -39.700 1.00 11.33 H ATOM 396 CG2 THR A 26 -44.994 4.142 -41.403 1.00 11.33 C ATOM 397 1HG2 THR A 26 -44.571 4.368 -42.381 1.00 11.33 H ATOM 398 2HG2 THR A 26 -45.354 5.064 -40.952 1.00 11.33 H ATOM 399 3HG2 THR A 26 -45.830 3.451 -41.531 1.00 11.33 H ATOM 400 N ALA A 27 -43.439 2.234 -37.149 1.00 23.31 N ATOM 401 H ALA A 27 -44.260 2.626 -36.716 1.00 23.31 H ATOM 402 CA ALA A 27 -42.352 1.795 -36.260 1.00 23.31 C ATOM 403 HA ALA A 27 -42.645 2.027 -35.235 1.00 23.31 H ATOM 404 C ALA A 27 -41.082 2.603 -36.568 1.00 23.31 C ATOM 405 O ALA A 27 -41.158 3.642 -37.224 1.00 23.31 O ATOM 406 CB ALA A 27 -42.127 0.265 -36.345 1.00 23.31 C ATOM 407 1HB ALA A 27 -43.075 -0.254 -36.203 1.00 23.31 H ATOM 408 2HB ALA A 27 -41.431 -0.056 -35.569 1.00 23.31 H ATOM 409 3HB ALA A 27 -41.719 -0.001 -37.322 1.00 23.31 H ATOM 410 N CYS A 28 -39.923 2.200 -36.074 1.00 6.98 N ATOM 411 H CYS A 28 -39.830 1.332 -35.550 1.00 6.98 H ATOM 412 CA CYS A 28 -38.691 2.957 -36.249 1.00 6.98 C ATOM 413 HA CYS A 28 -38.552 3.261 -37.282 1.00 6.98 H ATOM 414 C CYS A 28 -37.591 1.997 -35.852 1.00 6.98 C ATOM 415 O CYS A 28 -36.416 2.235 -36.190 1.00 6.98 O ATOM 416 OXT CYS A 28 -37.963 1.001 -35.203 1.00 6.98 O ATOM 417 CB CYS A 28 -38.696 4.167 -35.319 1.00 6.98 C ATOM 418 1HB CYS A 28 -37.686 4.560 -35.239 1.00 6.98 H ATOM 419 2HB CYS A 28 -39.345 4.930 -35.746 1.00 6.98 H ATOM 420 SG CYS A 28 -39.309 3.752 -33.662 1.00 6.98 S TER 421 CYS A 28 CONECT 344 341 420 CONECT 420 344 417 END
SEQUENCE	GIMDSVKNAAKNLAGQLLDTIKCKITAC
HELICITY	89.30	INSTAB. INDEX	16.72	FLEXIBILITY	13.74
a HYD. MOM.	70.57	b HYD. MOM.	37.11	c HYD. MOM	5.66
a MEAN HYD. MOM.	2.52	b MEAN HYD. MOM.	1.33	c MEAN HYD. MOM.	0.20
CHARGE pH5	2.14	CHARGE pH7	1.91	CHARGE pH9	0.06
Δ CHARGE pH5-pH9	2.08	ISOELECTRIC POINT	8.82	BOMAN INDEX	0.69
ΔG	18	CPP	-0,28	MLP	-9,86
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.