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ID	1960	NAME	Nigrocin 1   Blast NCBI-PROT
LENGTH	33	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\GLLDSIKGMAISAGKGALQNLLKVASCKLDKTC.pdb REMARK YASARA Written on: Wed May 14 15:11:29 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 488 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: GAEGURIN-4; COMPND 3 CHAIN: A; SEQRES 1 A 33 GLY LEU LEU ASP SER ILE LYS GLY MET ALA ILE SER ALA SEQRES 2 A 33 GLY LYS GLY ALA LEU GLN ASN LEU LEU LYS VAL ALA SER SEQRES 3 A 33 CYS LYS LEU ASP LYS THR 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 27 CYS A 33 2.03 ATOM 1 N GLY A 1 23.131 50.445 -25.878 1.00-33.34 N ATOM 2 1H GLY A 1 23.405 50.686 -24.937 1.00-33.34 H ATOM 3 2H GLY A 1 23.925 50.051 -26.366 1.00-33.34 H ATOM 4 3H GLY A 1 22.387 49.764 -25.854 1.00-33.34 H ATOM 5 CA GLY A 1 22.670 51.661 -26.595 1.00-33.34 C ATOM 6 1HA GLY A 1 21.828 52.094 -26.058 1.00-33.34 H ATOM 7 2HA GLY A 1 23.488 52.380 -26.634 1.00-33.34 H ATOM 8 C GLY A 1 22.242 51.322 -27.999 1.00-33.34 C ATOM 9 O GLY A 1 22.411 50.180 -28.386 1.00-33.34 O ATOM 10 N LEU A 2 21.690 52.255 -28.768 1.00-12.54 N ATOM 11 H LEU A 2 21.572 53.200 -28.430 1.00-12.54 H ATOM 12 CA LEU A 2 21.200 51.936 -30.117 1.00-12.54 C ATOM 13 HA LEU A 2 20.464 51.134 -30.041 1.00-12.54 H ATOM 14 C LEU A 2 22.303 51.456 -31.057 1.00-12.54 C ATOM 15 O LEU A 2 22.116 50.525 -31.830 1.00-12.54 O ATOM 16 CB LEU A 2 20.531 53.173 -30.730 1.00-12.54 C ATOM 17 1HB LEU A 2 19.744 53.503 -30.053 1.00-12.54 H ATOM 18 2HB LEU A 2 21.278 53.965 -30.786 1.00-12.54 H ATOM 19 CG LEU A 2 19.919 53.018 -32.136 1.00-12.54 C ATOM 20 HG LEU A 2 20.706 52.717 -32.826 1.00-12.54 H ATOM 21 CD1 LEU A 2 18.807 51.972 -32.192 1.00-12.54 C ATOM 22 1HD1 LEU A 2 18.380 51.945 -33.196 1.00-12.54 H ATOM 23 2HD1 LEU A 2 18.018 52.212 -31.477 1.00-12.54 H ATOM 24 3HD1 LEU A 2 19.211 50.983 -31.973 1.00-12.54 H ATOM 25 CD2 LEU A 2 19.381 54.365 -32.602 1.00-12.54 C ATOM 26 1HD2 LEU A 2 18.991 54.271 -33.616 1.00-12.54 H ATOM 27 2HD2 LEU A 2 20.180 55.107 -32.610 1.00-12.54 H ATOM 28 3HD2 LEU A 2 18.578 54.704 -31.945 1.00-12.54 H ATOM 29 N LEU A 3 23.479 52.056 -30.948 1.00-21.62 N ATOM 30 H LEU A 3 23.606 52.792 -30.276 1.00-21.62 H ATOM 31 CA LEU A 3 24.599 51.688 -31.811 1.00-21.62 C ATOM 32 HA LEU A 3 24.287 51.765 -32.852 1.00-21.62 H ATOM 33 C LEU A 3 25.042 50.252 -31.569 1.00-21.62 C ATOM 34 O LEU A 3 25.561 49.599 -32.456 1.00-21.62 O ATOM 35 CB LEU A 3 25.787 52.626 -31.570 1.00-21.62 C ATOM 36 1HB LEU A 3 26.109 52.496 -30.537 1.00-21.62 H ATOM 37 2HB LEU A 3 26.604 52.296 -32.213 1.00-21.62 H ATOM 38 CG LEU A 3 25.577 54.130 -31.811 1.00-21.62 C ATOM 39 HG LEU A 3 24.761 54.473 -31.174 1.00-21.62 H ATOM 40 CD1 LEU A 3 26.838 54.888 -31.411 1.00-21.62 C ATOM 41 1HD1 LEU A 3 26.678 55.960 -31.535 1.00-21.62 H ATOM 42 2HD1 LEU A 3 27.679 54.582 -32.036 1.00-21.62 H ATOM 43 3HD1 LEU A 3 27.077 54.693 -30.365 1.00-21.62 H ATOM 44 CD2 LEU A 3 25.219 54.454 -33.261 1.00-21.62 C ATOM 45 1HD2 LEU A 3 25.138 55.534 -33.389 1.00-21.62 H ATOM 46 2HD2 LEU A 3 24.262 54.005 -33.521 1.00-21.62 H ATOM 47 3HD2 LEU A 3 25.990 54.074 -33.935 1.00-21.62 H ATOM 48 N ASP A 4 24.803 49.740 -30.374 1.00 -4.18 N ATOM 49 H ASP A 4 24.346 50.296 -29.668 1.00 -4.18 H ATOM 50 CA ASP A 4 25.196 48.376 -30.035 1.00 -4.18 C ATOM 51 HA ASP A 4 26.199 48.198 -30.411 1.00 -4.18 H ATOM 52 C ASP A 4 24.252 47.366 -30.671 1.00 -4.18 C ATOM 53 O ASP A 4 24.640 46.243 -30.964 1.00 -4.18 O ATOM 54 CB ASP A 4 25.217 48.217 -28.520 1.00 -4.18 C ATOM 55 1HB ASP A 4 24.208 48.361 -28.140 1.00 -4.18 H ATOM 56 2HB ASP A 4 25.545 47.210 -28.263 1.00 -4.18 H ATOM 57 CG ASP A 4 26.122 49.232 -27.866 1.00 -4.18 C ATOM 58 OD1 ASP A 4 27.356 49.176 -28.058 1.00 -4.18 O ATOM 59 OD2 ASP A 4 25.577 50.156 -27.218 1.00 -4.18 O ATOM 60 N SER A 5 23.024 47.780 -30.947 1.00 -4.41 N ATOM 61 H SER A 5 22.726 48.712 -30.687 1.00 -4.41 H ATOM 62 CA SER A 5 22.083 46.920 -31.658 1.00 -4.41 C ATOM 63 HA SER A 5 22.136 45.914 -31.240 1.00 -4.41 H ATOM 64 C SER A 5 22.449 46.863 -33.138 1.00 -4.41 C ATOM 65 O SER A 5 22.283 45.839 -33.794 1.00 -4.41 O ATOM 66 CB SER A 5 20.665 47.466 -31.504 1.00 -4.41 C ATOM 67 1HB SER A 5 20.589 48.418 -32.030 1.00 -4.41 H ATOM 68 2HB SER A 5 19.953 46.761 -31.936 1.00 -4.41 H ATOM 69 OG SER A 5 20.376 47.677 -30.131 1.00 -4.41 O ATOM 70 HG SER A 5 20.444 46.833 -29.676 1.00 -4.41 H ATOM 71 N ILE A 6 22.982 47.965 -33.651 1.00-10.41 N ATOM 72 H ILE A 6 23.063 48.788 -33.068 1.00-10.41 H ATOM 73 CA ILE A 6 23.440 48.046 -35.043 1.00-10.41 C ATOM 74 HA ILE A 6 22.675 47.627 -35.696 1.00-10.41 H ATOM 75 C ILE A 6 24.705 47.192 -35.178 1.00-10.41 C ATOM 76 O ILE A 6 24.926 46.524 -36.183 1.00-10.41 O ATOM 77 CB ILE A 6 23.695 49.535 -35.460 1.00-10.41 C ATOM 78 HB ILE A 6 24.426 49.965 -34.778 1.00-10.41 H ATOM 79 CG1 ILE A 6 22.380 50.339 -35.347 1.00-10.41 C ATOM 80 1HG1 ILE A 6 21.692 49.984 -36.114 1.00-10.41 H ATOM 81 2HG1 ILE A 6 21.922 50.143 -34.381 1.00-10.41 H ATOM 82 CG2 ILE A 6 24.257 49.632 -36.903 1.00-10.41 C ATOM 83 1HG2 ILE A 6 24.464 50.669 -37.163 1.00-10.41 H ATOM 84 2HG2 ILE A 6 23.543 49.217 -37.616 1.00-10.41 H ATOM 85 3HG2 ILE A 6 25.192 49.075 -36.980 1.00-10.41 H ATOM 86 CD1 ILE A 6 22.513 51.864 -35.483 1.00-10.41 C ATOM 87 1HD1 ILE A 6 21.551 52.329 -35.266 1.00-10.41 H ATOM 88 2HD1 ILE A 6 22.810 52.129 -36.498 1.00-10.41 H ATOM 89 3HD1 ILE A 6 23.255 52.237 -34.778 1.00-10.41 H ATOM 90 N LYS A 7 25.497 47.160 -34.114 1.00 17.74 N ATOM 91 H LYS A 7 25.263 47.756 -33.329 1.00 17.74 H ATOM 92 CA LYS A 7 26.703 46.328 -34.007 1.00 17.74 C ATOM 93 HA LYS A 7 27.316 46.476 -34.896 1.00 17.74 H ATOM 94 C LYS A 7 26.389 44.832 -33.872 1.00 17.74 C ATOM 95 O LYS A 7 27.296 44.001 -33.833 1.00 17.74 O ATOM 96 CB LYS A 7 27.468 46.797 -32.765 1.00 17.74 C ATOM 97 1HB LYS A 7 27.338 47.873 -32.696 1.00 17.74 H ATOM 98 2HB LYS A 7 26.993 46.343 -31.898 1.00 17.74 H ATOM 99 CG LYS A 7 28.970 46.522 -32.688 1.00 17.74 C ATOM 100 1HG LYS A 7 29.174 45.505 -33.017 1.00 17.74 H ATOM 101 2HG LYS A 7 29.497 47.217 -33.342 1.00 17.74 H ATOM 102 CD LYS A 7 29.478 46.674 -31.246 1.00 17.74 C ATOM 103 1HD LYS A 7 28.941 45.957 -30.623 1.00 17.74 H ATOM 104 2HD LYS A 7 30.539 46.427 -31.220 1.00 17.74 H ATOM 105 CE LYS A 7 29.271 48.079 -30.661 1.00 17.74 C ATOM 106 1HE LYS A 7 29.813 48.810 -31.264 1.00 17.74 H ATOM 107 2HE LYS A 7 28.210 48.326 -30.697 1.00 17.74 H ATOM 108 NZ LYS A 7 29.713 48.167 -29.229 1.00 17.74 N ATOM 109 1HZ LYS A 7 29.246 48.955 -28.782 1.00 17.74 H ATOM 110 2HZ LYS A 7 30.714 48.276 -29.167 1.00 17.74 H ATOM 111 3HZ LYS A 7 29.426 47.336 -28.732 1.00 17.74 H ATOM 112 N GLY A 8 25.116 44.477 -33.765 1.00 17.71 N ATOM 113 H GLY A 8 24.388 45.175 -33.812 1.00 17.71 H ATOM 114 CA GLY A 8 24.747 43.081 -33.625 1.00 17.71 C ATOM 115 1HA GLY A 8 25.283 42.657 -32.776 1.00 17.71 H ATOM 116 2HA GLY A 8 23.675 43.000 -33.451 1.00 17.71 H ATOM 117 C GLY A 8 25.117 42.312 -34.878 1.00 17.71 C ATOM 118 O GLY A 8 25.002 42.823 -35.989 1.00 17.71 O ATOM 119 N MET A 9 25.574 41.078 -34.714 1.00-12.26 N ATOM 120 H MET A 9 25.602 40.679 -33.790 1.00-12.26 H ATOM 121 CA MET A 9 26.094 40.280 -35.828 1.00-12.26 C ATOM 122 HA MET A 9 26.758 40.916 -36.414 1.00-12.26 H ATOM 123 C MET A 9 25.007 39.764 -36.770 1.00-12.26 C ATOM 124 O MET A 9 24.535 38.639 -36.639 1.00-12.26 O ATOM 125 CB MET A 9 26.912 39.104 -35.285 1.00-12.26 C ATOM 126 1HB MET A 9 26.271 38.493 -34.649 1.00-12.26 H ATOM 127 2HB MET A 9 27.246 38.500 -36.127 1.00-12.26 H ATOM 128 CG MET A 9 28.131 39.536 -34.476 1.00-12.26 C ATOM 129 1HG MET A 9 28.786 40.136 -35.108 1.00-12.26 H ATOM 130 2HG MET A 9 27.803 40.148 -33.636 1.00-12.26 H ATOM 131 SD MET A 9 29.063 38.129 -33.826 1.00-12.26 S ATOM 132 CE MET A 9 29.908 37.494 -35.294 1.00-12.26 C ATOM 133 1HE MET A 9 30.544 36.656 -35.009 1.00-12.26 H ATOM 134 2HE MET A 9 30.524 38.280 -35.732 1.00-12.26 H ATOM 135 3HE MET A 9 29.174 37.154 -36.025 1.00-12.26 H ATOM 136 N ALA A 10 24.604 40.629 -37.695 1.00 26.53 N ATOM 137 H ALA A 10 25.009 41.561 -37.655 1.00 26.53 H ATOM 138 CA ALA A 10 23.589 40.372 -38.721 1.00 26.53 C ATOM 139 HA ALA A 10 23.384 41.329 -39.201 1.00 26.53 H ATOM 140 C ALA A 10 22.254 39.870 -38.149 1.00 26.53 C ATOM 141 O ALA A 10 21.506 39.145 -38.805 1.00 26.53 O ATOM 142 CB ALA A 10 24.145 39.421 -39.800 1.00 26.53 C ATOM 143 1HB ALA A 10 25.092 39.804 -40.181 1.00 26.53 H ATOM 144 2HB ALA A 10 23.436 39.338 -40.623 1.00 26.53 H ATOM 145 3HB ALA A 10 24.305 38.431 -39.368 1.00 26.53 H ATOM 146 N ILE A 11 21.948 40.283 -36.927 1.00-10.30 N ATOM 147 H ILE A 11 22.594 40.890 -36.447 1.00-10.30 H ATOM 148 CA ILE A 11 20.749 39.823 -36.222 1.00-10.30 C ATOM 149 HA ILE A 11 20.741 38.733 -36.220 1.00-10.30 H ATOM 150 C ILE A 11 19.513 40.308 -36.979 1.00-10.30 C ATOM 151 O ILE A 11 18.534 39.583 -37.145 1.00-10.30 O ATOM 152 CB ILE A 11 20.737 40.328 -34.742 1.00-10.30 C ATOM 153 HB ILE A 11 20.747 41.418 -34.747 1.00-10.30 H ATOM 154 CG1 ILE A 11 22.004 39.831 -34.010 1.00-10.30 C ATOM 155 1HG1 ILE A 11 21.966 38.742 -33.955 1.00-10.30 H ATOM 156 2HG1 ILE A 11 22.882 40.102 -34.591 1.00-10.30 H ATOM 157 CG2 ILE A 11 19.458 39.851 -34.000 1.00-10.30 C ATOM 158 1HG2 ILE A 11 19.437 40.248 -32.985 1.00-10.30 H ATOM 159 2HG2 ILE A 11 19.430 38.759 -33.958 1.00-10.30 H ATOM 160 3HG2 ILE A 11 18.565 40.206 -34.514 1.00-10.30 H ATOM 161 CD1 ILE A 11 22.214 40.380 -32.589 1.00-10.30 C ATOM 162 1HD1 ILE A 11 23.200 40.081 -32.230 1.00-10.30 H ATOM 163 2HD1 ILE A 11 21.462 39.974 -31.913 1.00-10.30 H ATOM 164 3HD1 ILE A 11 22.149 41.468 -32.594 1.00-10.30 H ATOM 165 N SER A 12 19.584 41.521 -37.505 1.00 14.54 N ATOM 166 H SER A 12 20.411 42.085 -37.371 1.00 14.54 H ATOM 167 CA SER A 12 18.502 42.084 -38.304 1.00 14.54 C ATOM 168 HA SER A 12 17.586 42.115 -37.714 1.00 14.54 H ATOM 169 C SER A 12 18.236 41.273 -39.572 1.00 14.54 C ATOM 170 O SER A 12 17.084 41.070 -39.959 1.00 14.54 O ATOM 171 CB SER A 12 18.916 43.502 -38.683 1.00 14.54 C ATOM 172 1HB SER A 12 18.385 43.820 -39.581 1.00 14.54 H ATOM 173 2HB SER A 12 18.680 44.176 -37.859 1.00 14.54 H ATOM 174 OG SER A 12 20.322 43.514 -38.897 1.00 14.54 O ATOM 175 HG SER A 12 20.594 44.417 -39.102 1.00 14.54 H ATOM 176 N ALA A 13 19.293 40.786 -40.207 1.00 -2.37 N ATOM 177 H ALA A 13 20.214 40.964 -39.840 1.00 -2.37 H ATOM 178 CA ALA A 13 19.158 39.987 -41.421 1.00 -2.37 C ATOM 179 HA ALA A 13 18.468 40.491 -42.099 1.00 -2.37 H ATOM 180 C ALA A 13 18.578 38.615 -41.074 1.00 -2.37 C ATOM 181 O ALA A 13 17.703 38.112 -41.777 1.00 -2.37 O ATOM 182 CB ALA A 13 20.521 39.845 -42.112 1.00 -2.37 C ATOM 183 1HB ALA A 13 20.923 40.831 -42.347 1.00 -2.37 H ATOM 184 2HB ALA A 13 20.399 39.281 -43.038 1.00 -2.37 H ATOM 185 3HB ALA A 13 21.217 39.313 -41.463 1.00 -2.37 H ATOM 186 N GLY A 14 19.037 38.037 -39.972 1.00 1.02 N ATOM 187 H GLY A 14 19.783 38.480 -39.440 1.00 1.02 H ATOM 188 CA GLY A 14 18.507 36.760 -39.521 1.00 1.02 C ATOM 189 1HA GLY A 14 18.637 36.022 -40.312 1.00 1.02 H ATOM 190 2HA GLY A 14 19.047 36.430 -38.633 1.00 1.02 H ATOM 191 C GLY A 14 17.032 36.865 -39.194 1.00 1.02 C ATOM 192 O GLY A 14 16.234 36.050 -39.646 1.00 1.02 O ATOM 193 N LYS A 15 16.633 37.917 -38.490 1.00-10.80 N ATOM 194 H LYS A 15 17.329 38.570 -38.128 1.00-10.80 H ATOM 195 CA LYS A 15 15.214 38.147 -38.206 1.00-10.80 C ATOM 196 HA LYS A 15 14.812 37.267 -37.702 1.00-10.80 H ATOM 197 C LYS A 15 14.454 38.318 -39.510 1.00-10.80 C ATOM 198 O LYS A 15 13.366 37.781 -39.664 1.00-10.80 O ATOM 199 CB LYS A 15 15.034 39.374 -37.299 1.00-10.80 C ATOM 200 1HB LYS A 15 15.664 39.231 -36.421 1.00-10.80 H ATOM 201 2HB LYS A 15 15.385 40.264 -37.822 1.00-10.80 H ATOM 202 CG LYS A 15 13.596 39.613 -36.816 1.00-10.80 C ATOM 203 1HG LYS A 15 13.071 38.658 -36.786 1.00-10.80 H ATOM 204 2HG LYS A 15 13.635 40.015 -35.803 1.00-10.80 H ATOM 205 CD LYS A 15 12.809 40.599 -37.693 1.00-10.80 C ATOM 206 1HD LYS A 15 13.293 41.575 -37.653 1.00-10.80 H ATOM 207 2HD LYS A 15 12.803 40.249 -38.724 1.00-10.80 H ATOM 208 CE LYS A 15 11.366 40.723 -37.210 1.00-10.80 C ATOM 209 1HE LYS A 15 10.897 39.737 -37.251 1.00-10.80 H ATOM 210 2HE LYS A 15 11.370 41.061 -36.171 1.00-10.80 H ATOM 211 NZ LYS A 15 10.567 41.688 -38.045 1.00-10.80 N ATOM 212 1HZ LYS A 15 9.620 41.746 -37.698 1.00-10.80 H ATOM 213 2HZ LYS A 15 10.535 41.374 -39.014 1.00-10.80 H ATOM 214 3HZ LYS A 15 10.988 42.606 -38.017 1.00-10.80 H ATOM 215 N GLY A 16 15.035 39.033 -40.462 1.00 10.16 N ATOM 216 H GLY A 16 15.946 39.451 -40.295 1.00 10.16 H ATOM 217 CA GLY A 16 14.390 39.247 -41.746 1.00 10.16 C ATOM 218 1HA GLY A 16 13.422 39.717 -41.577 1.00 10.16 H ATOM 219 2HA GLY A 16 15.006 39.922 -42.339 1.00 10.16 H ATOM 220 C GLY A 16 14.163 37.973 -42.538 1.00 10.16 C ATOM 221 O GLY A 16 13.197 37.886 -43.292 1.00 10.16 O ATOM 222 N ALA A 17 15.018 36.977 -42.370 1.00 13.32 N ATOM 223 H ALA A 17 15.822 37.105 -41.760 1.00 13.32 H ATOM 224 CA ALA A 17 14.864 35.690 -43.042 1.00 13.32 C ATOM 225 HA ALA A 17 14.475 35.856 -44.047 1.00 13.32 H ATOM 226 C ALA A 17 13.894 34.759 -42.301 1.00 13.32 C ATOM 227 O ALA A 17 13.402 33.787 -42.863 1.00 13.32 O ATOM 228 CB ALA A 17 16.243 35.029 -43.158 1.00 13.32 C ATOM 229 1HB ALA A 17 16.932 35.697 -43.677 1.00 13.32 H ATOM 230 2HB ALA A 17 16.159 34.099 -43.718 1.00 13.32 H ATOM 231 3HB ALA A 17 16.636 34.812 -42.162 1.00 13.32 H ATOM 232 N LEU A 18 13.645 35.024 -41.028 1.00 -3.56 N ATOM 233 H LEU A 18 14.063 35.843 -40.597 1.00 -3.56 H ATOM 234 CA LEU A 18 12.885 34.108 -40.175 1.00 -3.56 C ATOM 235 HA LEU A 18 12.581 33.242 -40.758 1.00 -3.56 H ATOM 236 C LEU A 18 11.610 34.742 -39.622 1.00 -3.56 C ATOM 237 O LEU A 18 11.119 34.355 -38.567 1.00 -3.56 O ATOM 238 CB LEU A 18 13.796 33.612 -39.042 1.00 -3.56 C ATOM 239 1HB LEU A 18 14.068 34.475 -38.435 1.00 -3.56 H ATOM 240 2HB LEU A 18 13.222 32.931 -38.413 1.00 -3.56 H ATOM 241 CG LEU A 18 15.099 32.895 -39.449 1.00 -3.56 C ATOM 242 HG LEU A 18 15.683 33.565 -40.073 1.00 -3.56 H ATOM 243 CD1 LEU A 18 15.923 32.592 -38.202 1.00 -3.56 C ATOM 244 1HD1 LEU A 18 16.866 32.124 -38.486 1.00 -3.56 H ATOM 245 2HD1 LEU A 18 15.377 31.929 -37.531 1.00 -3.56 H ATOM 246 3HD1 LEU A 18 16.148 33.524 -37.681 1.00 -3.56 H ATOM 247 CD2 LEU A 18 14.889 31.601 -40.245 1.00 -3.56 C ATOM 248 1HD2 LEU A 18 15.862 31.195 -40.526 1.00 -3.56 H ATOM 249 2HD2 LEU A 18 14.338 31.817 -41.159 1.00 -3.56 H ATOM 250 3HD2 LEU A 18 14.362 30.868 -39.644 1.00 -3.56 H ATOM 251 N GLN A 19 11.050 35.701 -40.353 1.00 1.62 N ATOM 252 H GLN A 19 11.488 35.974 -41.218 1.00 1.62 H ATOM 253 CA GLN A 19 9.825 36.384 -39.906 1.00 1.62 C ATOM 254 HA GLN A 19 10.003 36.756 -38.897 1.00 1.62 H ATOM 255 C GLN A 19 8.629 35.434 -39.825 1.00 1.62 C ATOM 256 O GLN A 19 7.708 35.629 -39.041 1.00 1.62 O ATOM 257 CB GLN A 19 9.478 37.576 -40.805 1.00 1.62 C ATOM 258 1HB GLN A 19 9.259 37.225 -41.809 1.00 1.62 H ATOM 259 2HB GLN A 19 8.585 38.056 -40.403 1.00 1.62 H ATOM 260 CG GLN A 19 10.585 38.603 -40.881 1.00 1.62 C ATOM 261 1HG GLN A 19 10.937 38.800 -39.870 1.00 1.62 H ATOM 262 2HG GLN A 19 11.406 38.199 -41.464 1.00 1.62 H ATOM 263 CD GLN A 19 10.160 39.920 -41.480 1.00 1.62 C ATOM 264 OE1 GLN A 19 10.188 40.938 -40.796 1.00 1.62 O ATOM 265 NE2 GLN A 19 9.784 39.933 -42.731 1.00 1.62 N ATOM 266 1HE2 GLN A 19 9.484 40.803 -43.138 1.00 1.62 H ATOM 267 2HE2 GLN A 19 9.787 39.090 -43.282 1.00 1.62 H ATOM 268 N ASN A 20 8.700 34.341 -40.568 1.00 34.43 N ATOM 269 H ASN A 20 9.402 34.270 -41.292 1.00 34.43 H ATOM 270 CA ASN A 20 8.008 33.115 -40.202 1.00 34.43 C ATOM 271 HA ASN A 20 7.584 33.185 -39.199 1.00 34.43 H ATOM 272 C ASN A 20 9.233 32.219 -40.236 1.00 34.43 C ATOM 273 O ASN A 20 9.989 32.303 -41.219 1.00 34.43 O ATOM 274 CB ASN A 20 6.983 32.620 -41.232 1.00 34.43 C ATOM 275 1HB ASN A 20 7.505 32.392 -42.154 1.00 34.43 H ATOM 276 2HB ASN A 20 6.523 31.706 -40.858 1.00 34.43 H ATOM 277 CG ASN A 20 5.898 33.619 -41.562 1.00 34.43 C ATOM 278 OD1 ASN A 20 5.433 33.638 -42.697 1.00 34.43 O ATOM 279 ND2 ASN A 20 5.467 34.415 -40.625 1.00 34.43 N ATOM 280 1HD2 ASN A 20 4.694 35.025 -40.822 1.00 34.43 H ATOM 281 2HD2 ASN A 20 5.936 34.460 -39.729 1.00 34.43 H ATOM 282 N LEU A 21 9.455 31.421 -39.202 1.00 -2.69 N ATOM 283 H LEU A 21 8.783 31.369 -38.454 1.00 -2.69 H ATOM 284 CA LEU A 21 10.678 30.630 -39.083 1.00 -2.69 C ATOM 285 HA LEU A 21 11.527 31.312 -39.049 1.00 -2.69 H ATOM 286 C LEU A 21 10.829 29.709 -40.290 1.00 -2.69 C ATOM 287 O LEU A 21 9.896 28.983 -40.623 1.00 -2.69 O ATOM 288 CB LEU A 21 10.620 29.807 -37.790 1.00 -2.69 C ATOM 289 1HB LEU A 21 10.390 30.482 -36.966 1.00 -2.69 H ATOM 290 2HB LEU A 21 9.785 29.112 -37.889 1.00 -2.69 H ATOM 291 CG LEU A 21 11.858 28.987 -37.398 1.00 -2.69 C ATOM 292 HG LEU A 21 12.168 28.395 -38.255 1.00 -2.69 H ATOM 293 CD1 LEU A 21 13.023 29.876 -36.969 1.00 -2.69 C ATOM 294 1HD1 LEU A 21 13.895 29.258 -36.752 1.00 -2.69 H ATOM 295 2HD1 LEU A 21 12.756 30.441 -36.074 1.00 -2.69 H ATOM 296 3HD1 LEU A 21 13.280 30.573 -37.759 1.00 -2.69 H ATOM 297 CD2 LEU A 21 11.510 28.029 -36.265 1.00 -2.69 C ATOM 298 1HD2 LEU A 21 12.385 27.431 -36.008 1.00 -2.69 H ATOM 299 2HD2 LEU A 21 10.714 27.355 -36.582 1.00 -2.69 H ATOM 300 3HD2 LEU A 21 11.183 28.584 -35.384 1.00 -2.69 H ATOM 301 N LEU A 22 11.979 29.809 -40.953 1.00 9.82 N ATOM 302 H LEU A 22 12.656 30.462 -40.589 1.00 9.82 H ATOM 303 CA LEU A 22 12.376 29.091 -42.181 1.00 9.82 C ATOM 304 HA LEU A 22 13.368 29.455 -42.446 1.00 9.82 H ATOM 305 C LEU A 22 11.531 29.303 -43.444 1.00 9.82 C ATOM 306 O LEU A 22 12.082 29.431 -44.546 1.00 9.82 O ATOM 307 CB LEU A 22 12.520 27.587 -41.916 1.00 9.82 C ATOM 308 1HB LEU A 22 11.552 27.208 -41.588 1.00 9.82 H ATOM 309 2HB LEU A 22 12.755 27.102 -42.864 1.00 9.82 H ATOM 310 CG LEU A 22 13.575 27.145 -40.890 1.00 9.82 C ATOM 311 HG LEU A 22 13.401 27.675 -39.957 1.00 9.82 H ATOM 312 CD1 LEU A 22 13.431 25.651 -40.616 1.00 9.82 C ATOM 313 1HD1 LEU A 22 14.155 25.345 -39.860 1.00 9.82 H ATOM 314 2HD1 LEU A 22 13.603 25.078 -41.529 1.00 9.82 H ATOM 315 3HD1 LEU A 22 12.429 25.439 -40.242 1.00 9.82 H ATOM 316 CD2 LEU A 22 15.005 27.446 -41.350 1.00 9.82 C ATOM 317 1HD2 LEU A 22 15.714 27.082 -40.605 1.00 9.82 H ATOM 318 2HD2 LEU A 22 15.149 28.519 -41.461 1.00 9.82 H ATOM 319 3HD2 LEU A 22 15.208 26.953 -42.302 1.00 9.82 H ATOM 320 N LYS A 23 10.216 29.408 -43.301 1.00 -2.68 N ATOM 321 H LYS A 23 9.827 29.273 -42.367 1.00 -2.68 H ATOM 322 CA LYS A 23 9.316 29.693 -44.420 1.00 -2.68 C ATOM 323 HA LYS A 23 9.374 28.882 -45.150 1.00 -2.68 H ATOM 324 C LYS A 23 9.719 30.983 -45.130 1.00 -2.68 C ATOM 325 O LYS A 23 9.763 30.990 -46.357 1.00 -2.68 O ATOM 326 CB LYS A 23 7.873 29.828 -43.919 1.00 -2.68 C ATOM 327 1HB LYS A 23 7.517 28.849 -43.599 1.00 -2.68 H ATOM 328 2HB LYS A 23 7.892 30.474 -43.049 1.00 -2.68 H ATOM 329 CG LYS A 23 6.880 30.420 -44.921 1.00 -2.68 C ATOM 330 1HG LYS A 23 7.218 31.413 -45.209 1.00 -2.68 H ATOM 331 2HG LYS A 23 6.849 29.786 -45.807 1.00 -2.68 H ATOM 332 CD LYS A 23 5.470 30.537 -44.363 1.00 -2.68 C ATOM 333 1HD LYS A 23 5.068 29.532 -44.225 1.00 -2.68 H ATOM 334 2HD LYS A 23 5.505 31.028 -43.392 1.00 -2.68 H ATOM 335 CE LYS A 23 4.531 31.321 -45.287 1.00 -2.68 C ATOM 336 1HE LYS A 23 4.525 30.847 -46.272 1.00 -2.68 H ATOM 337 2HE LYS A 23 3.520 31.262 -44.875 1.00 -2.68 H ATOM 338 NZ LYS A 23 4.912 32.782 -45.429 1.00 -2.68 N ATOM 339 1HZ LYS A 23 4.221 33.273 -45.980 1.00 -2.68 H ATOM 340 2HZ LYS A 23 5.812 32.867 -45.881 1.00 -2.68 H ATOM 341 3HZ LYS A 23 4.968 33.214 -44.507 1.00 -2.68 H ATOM 342 N VAL A 24 10.043 32.053 -44.405 1.00 23.43 N ATOM 343 H VAL A 24 10.066 32.013 -43.391 1.00 23.43 H ATOM 344 CA VAL A 24 10.373 33.306 -45.085 1.00 23.43 C ATOM 345 HA VAL A 24 9.620 33.487 -45.850 1.00 23.43 H ATOM 346 C VAL A 24 11.695 33.172 -45.842 1.00 23.43 C ATOM 347 O VAL A 24 11.778 33.646 -46.966 1.00 23.43 O ATOM 348 CB VAL A 24 10.293 34.501 -44.114 1.00 23.43 C ATOM 349 HB VAL A 24 10.780 34.228 -43.179 1.00 23.43 H ATOM 350 CG1 VAL A 24 10.961 35.767 -44.664 1.00 23.43 C ATOM 351 1HG1 VAL A 24 10.817 36.599 -43.975 1.00 23.43 H ATOM 352 2HG1 VAL A 24 10.538 36.036 -45.635 1.00 23.43 H ATOM 353 3HG1 VAL A 24 12.032 35.602 -44.777 1.00 23.43 H ATOM 354 CG2 VAL A 24 8.817 34.808 -43.843 1.00 23.43 C ATOM 355 1HG2 VAL A 24 8.732 35.616 -43.123 1.00 23.43 H ATOM 356 2HG2 VAL A 24 8.310 33.933 -43.452 1.00 23.43 H ATOM 357 3HG2 VAL A 24 8.322 35.119 -44.763 1.00 23.43 H ATOM 358 N ALA A 25 12.684 32.464 -45.315 1.00 -2.25 N ATOM 359 H ALA A 25 12.603 32.095 -44.381 1.00 -2.25 H ATOM 360 CA ALA A 25 13.932 32.255 -46.045 1.00 -2.25 C ATOM 361 HA ALA A 25 14.341 33.229 -46.314 1.00 -2.25 H ATOM 362 C ALA A 25 13.693 31.480 -47.342 1.00 -2.25 C ATOM 363 O ALA A 25 14.235 31.802 -48.385 1.00 -2.25 O ATOM 364 CB ALA A 25 14.938 31.523 -45.145 1.00 -2.25 C ATOM 365 1HB ALA A 25 15.090 32.091 -44.228 1.00 -2.25 H ATOM 366 2HB ALA A 25 15.892 31.430 -45.668 1.00 -2.25 H ATOM 367 3HB ALA A 25 14.570 30.527 -44.896 1.00 -2.25 H ATOM 368 N SER A 26 12.844 30.470 -47.266 1.00-13.19 N ATOM 369 H SER A 26 12.427 30.242 -46.372 1.00-13.19 H ATOM 370 CA SER A 26 12.524 29.647 -48.433 1.00-13.19 C ATOM 371 HA SER A 26 13.455 29.308 -48.889 1.00-13.19 H ATOM 372 C SER A 26 11.727 30.437 -49.474 1.00-13.19 C ATOM 373 O SER A 26 11.918 30.305 -50.674 1.00-13.19 O ATOM 374 CB SER A 26 11.710 28.429 -47.989 1.00-13.19 C ATOM 375 1HB SER A 26 10.740 28.758 -47.617 1.00-13.19 H ATOM 376 2HB SER A 26 11.560 27.766 -48.842 1.00-13.19 H ATOM 377 OG SER A 26 12.387 27.735 -46.954 1.00-13.19 O ATOM 378 HG SER A 26 12.341 28.251 -46.141 1.00-13.19 H ATOM 379 N CYS A 27 10.840 31.291 -48.990 1.00 29.76 N ATOM 380 H CYS A 27 10.714 31.337 -47.984 1.00 29.76 H ATOM 381 CA CYS A 27 10.006 32.158 -49.821 1.00 29.76 C ATOM 382 HA CYS A 27 9.486 31.570 -50.578 1.00 29.76 H ATOM 383 C CYS A 27 10.849 33.242 -50.508 1.00 29.76 C ATOM 384 O CYS A 27 10.622 33.623 -51.659 1.00 29.76 O ATOM 385 CB CYS A 27 8.991 32.777 -48.864 1.00 29.76 C ATOM 386 1HB CYS A 27 8.542 31.972 -48.286 1.00 29.76 H ATOM 387 2HB CYS A 27 9.539 33.415 -48.175 1.00 29.76 H ATOM 388 SG CYS A 27 7.638 33.756 -49.561 1.00 29.76 S ATOM 389 N LYS A 28 11.886 33.694 -49.815 1.00 19.56 N ATOM 390 H LYS A 28 12.033 33.362 -48.865 1.00 19.56 H ATOM 391 CA LYS A 28 12.831 34.671 -50.355 1.00 19.56 C ATOM 392 HA LYS A 28 12.257 35.485 -50.792 1.00 19.56 H ATOM 393 C LYS A 28 13.715 34.144 -51.469 1.00 19.56 C ATOM 394 O LYS A 28 14.345 34.947 -52.151 1.00 19.56 O ATOM 395 CB LYS A 28 13.687 35.271 -49.240 1.00 19.56 C ATOM 396 1HB LYS A 28 13.964 34.497 -48.526 1.00 19.56 H ATOM 397 2HB LYS A 28 14.591 35.700 -49.671 1.00 19.56 H ATOM 398 CG LYS A 28 12.923 36.375 -48.554 1.00 19.56 C ATOM 399 1HG LYS A 28 12.665 37.112 -49.313 1.00 19.56 H ATOM 400 2HG LYS A 28 11.998 35.971 -48.144 1.00 19.56 H ATOM 401 CD LYS A 28 13.670 37.089 -47.448 1.00 19.56 C ATOM 402 1HD LYS A 28 13.884 36.398 -46.632 1.00 19.56 H ATOM 403 2HD LYS A 28 14.594 37.516 -47.840 1.00 19.56 H ATOM 404 CE LYS A 28 12.742 38.197 -46.986 1.00 19.56 C ATOM 405 1HE LYS A 28 12.490 38.807 -47.858 1.00 19.56 H ATOM 406 2HE LYS A 28 11.811 37.733 -46.657 1.00 19.56 H ATOM 407 NZ LYS A 28 13.201 39.103 -45.911 1.00 19.56 N ATOM 408 1HZ LYS A 28 12.498 39.816 -45.769 1.00 19.56 H ATOM 409 2HZ LYS A 28 14.075 39.534 -46.172 1.00 19.56 H ATOM 410 3HZ LYS A 28 13.310 38.578 -45.049 1.00 19.56 H ATOM 411 N LEU A 29 13.664 32.850 -51.752 1.00 -6.54 N ATOM 412 H LEU A 29 13.143 32.223 -51.154 1.00 -6.54 H ATOM 413 CA LEU A 29 14.303 32.310 -52.951 1.00 -6.54 C ATOM 414 HA LEU A 29 15.371 32.517 -52.904 1.00 -6.54 H ATOM 415 C LEU A 29 13.741 32.988 -54.202 1.00 -6.54 C ATOM 416 O LEU A 29 14.496 33.305 -55.117 1.00 -6.54 O ATOM 417 CB LEU A 29 14.081 30.796 -53.024 1.00 -6.54 C ATOM 418 1HB LEU A 29 14.410 30.366 -52.078 1.00 -6.54 H ATOM 419 2HB LEU A 29 13.008 30.624 -53.110 1.00 -6.54 H ATOM 420 CG LEU A 29 14.763 30.012 -54.158 1.00 -6.54 C ATOM 421 HG LEU A 29 14.423 30.411 -55.112 1.00 -6.54 H ATOM 422 CD1 LEU A 29 16.289 30.108 -54.108 1.00 -6.54 C ATOM 423 1HD1 LEU A 29 16.722 29.487 -54.892 1.00 -6.54 H ATOM 424 2HD1 LEU A 29 16.659 29.776 -53.137 1.00 -6.54 H ATOM 425 3HD1 LEU A 29 16.597 31.140 -54.282 1.00 -6.54 H ATOM 426 CD2 LEU A 29 14.342 28.544 -54.076 1.00 -6.54 C ATOM 427 1HD2 LEU A 29 14.788 27.989 -54.901 1.00 -6.54 H ATOM 428 2HD2 LEU A 29 13.256 28.471 -54.153 1.00 -6.54 H ATOM 429 3HD2 LEU A 29 14.666 28.110 -53.129 1.00 -6.54 H ATOM 430 N ASP A 30 12.448 33.300 -54.203 1.00 22.59 N ATOM 431 H ASP A 30 11.849 33.005 -53.439 1.00 22.59 H ATOM 432 CA ASP A 30 11.861 34.111 -55.278 1.00 22.59 C ATOM 433 HA ASP A 30 12.664 34.356 -55.962 1.00 22.59 H ATOM 434 C ASP A 30 11.314 35.443 -54.762 1.00 22.59 C ATOM 435 O ASP A 30 10.459 36.076 -55.370 1.00 22.59 O ATOM 436 CB ASP A 30 10.818 33.361 -56.107 1.00 22.59 C ATOM 437 1HB ASP A 30 11.150 32.331 -56.237 1.00 22.59 H ATOM 438 2HB ASP A 30 9.869 33.356 -55.570 1.00 22.59 H ATOM 439 CG ASP A 30 10.626 33.989 -57.494 1.00 22.59 C ATOM 440 OD1 ASP A 30 11.566 34.665 -57.998 1.00 22.59 O ATOM 441 OD2 ASP A 30 9.557 33.788 -58.101 1.00 22.59 O ATOM 442 N LYS A 31 11.901 35.904 -53.664 1.00 18.21 N ATOM 443 H LYS A 31 12.587 35.308 -53.217 1.00 18.21 H ATOM 444 CA LYS A 31 11.678 37.246 -53.089 1.00 18.21 C ATOM 445 HA LYS A 31 12.239 37.297 -52.157 1.00 18.21 H ATOM 446 C LYS A 31 10.217 37.582 -52.749 1.00 18.21 C ATOM 447 O LYS A 31 9.851 38.750 -52.708 1.00 18.21 O ATOM 448 CB LYS A 31 12.248 38.337 -54.025 1.00 18.21 C ATOM 449 1HB LYS A 31 11.614 38.392 -54.908 1.00 18.21 H ATOM 450 2HB LYS A 31 12.173 39.299 -53.517 1.00 18.21 H ATOM 451 CG LYS A 31 13.722 38.161 -54.473 1.00 18.21 C ATOM 452 1HG LYS A 31 14.313 38.945 -54.000 1.00 18.21 H ATOM 453 2HG LYS A 31 14.105 37.202 -54.127 1.00 18.21 H ATOM 454 CD LYS A 31 13.926 38.253 -56.006 1.00 18.21 C ATOM 455 1HD LYS A 31 13.438 39.153 -56.381 1.00 18.21 H ATOM 456 2HD LYS A 31 14.995 38.310 -56.216 1.00 18.21 H ATOM 457 CE LYS A 31 13.346 37.024 -56.702 1.00 18.21 C ATOM 458 1HE LYS A 31 13.810 36.142 -56.254 1.00 18.21 H ATOM 459 2HE LYS A 31 12.291 36.991 -56.446 1.00 18.21 H ATOM 460 NZ LYS A 31 13.398 36.855 -58.185 1.00 18.21 N ATOM 461 1HZ LYS A 31 12.854 36.020 -58.421 1.00 18.21 H ATOM 462 2HZ LYS A 31 14.349 36.731 -58.494 1.00 18.21 H ATOM 463 3HZ LYS A 31 12.972 37.648 -58.640 1.00 18.21 H ATOM 464 N THR A 32 9.379 36.581 -52.518 1.00 -4.04 N ATOM 465 H THR A 32 9.707 35.625 -52.560 1.00 -4.04 H ATOM 466 CA THR A 32 7.946 36.804 -52.289 1.00 -4.04 C ATOM 467 HA THR A 32 7.652 37.734 -52.775 1.00 -4.04 H ATOM 468 C THR A 32 7.535 36.941 -50.818 1.00 -4.04 C ATOM 469 O THR A 32 6.346 36.898 -50.500 1.00 -4.04 O ATOM 470 CB THR A 32 7.119 35.666 -52.938 1.00 -4.04 C ATOM 471 HB THR A 32 6.072 35.756 -52.653 1.00 -4.04 H ATOM 472 OG1 THR A 32 7.643 34.401 -52.527 1.00 -4.04 O ATOM 473 HG1 THR A 32 7.474 34.305 -51.586 1.00 -4.04 H ATOM 474 CG2 THR A 32 7.209 35.685 -54.452 1.00 -4.04 C ATOM 475 1HG2 THR A 32 6.468 35.002 -54.862 1.00 -4.04 H ATOM 476 2HG2 THR A 32 8.194 35.355 -54.771 1.00 -4.04 H ATOM 477 3HG2 THR A 32 7.020 36.689 -54.831 1.00 -4.04 H ATOM 478 N CYS A 33 8.499 37.109 -49.922 1.00 4.89 N ATOM 479 H CYS A 33 9.460 37.215 -50.224 1.00 4.89 H ATOM 480 CA CYS A 33 8.266 37.317 -48.491 1.00 4.89 C ATOM 481 HA CYS A 33 7.331 37.849 -48.315 1.00 4.89 H ATOM 482 C CYS A 33 9.449 38.172 -48.073 1.00 4.89 C ATOM 483 O CYS A 33 10.331 38.281 -48.952 1.00 4.89 O ATOM 484 OXT CYS A 33 9.573 38.591 -46.898 1.00 4.89 O ATOM 485 CB CYS A 33 8.319 36.023 -47.674 1.00 4.89 C ATOM 486 1HB CYS A 33 9.283 35.552 -47.858 1.00 4.89 H ATOM 487 2HB CYS A 33 8.292 36.319 -46.627 1.00 4.89 H ATOM 488 SG CYS A 33 6.993 34.801 -47.948 1.00 4.89 S TER 489 CYS A 33 CONECT 388 385 488 CONECT 488 388 485 END
SEQUENCE	GLLDSIKGMAISAGKGALQNLLKVASCKLDKTC
HELICITY	87.90	INSTAB. INDEX	15.88	FLEXIBILITY	15.54
a HYD. MOM.	52.06	b HYD. MOM.	23.74	c HYD. MOM	3.90
a MEAN HYD. MOM.	1.58	b MEAN HYD. MOM.	0.72	c MEAN HYD. MOM.	0.12
CHARGE pH5	3.14	CHARGE pH7	2.91	CHARGE pH9	1.03
Δ CHARGE pH5-pH9	2.11	ISOELECTRIC POINT	9.24	BOMAN INDEX	0.33
ΔG	20	CPP	-0,18	MLP	-14,99
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa	25	MIC S. typhimurium
MIC S. aureus		MIC M. luteus	0,60	MIC B. subtilis
MIC C. albicans	33	OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Pelophylax	SPECIES	Pelophylax nigromaculatus
DATE	2001
TITLE PAPER	Structural study of novel antimicrobial peptides, nigrocins, isolated from Rana nigromaculata