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ID	880	NAME	Parasin I   Blast NCBI-PROT
LENGTH	19	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\KGRGKQGGKVRAKAKTRSS.pdb REMARK YASARA Written on: Wed May 14 11:51:59 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 302 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 69.05067 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 34.52533 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 51.78800 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 17.26267 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 86.31333 COMPND MOL_ID: 1; COMPND 2 MOLECULE: HISTONE H2A-IV; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: HISTONE H2B; COMPND 6 MOL_ID: 3; COMPND 7 MOLECULE: HISTONE H3; COMPND 8 MOL_ID: 4; COMPND 9 MOLECULE: HISTONE H4-VI; SEQRES 1 A 19 LYS GLY ARG GLY LYS GLN GLY GLY LYS VAL ARG ALA LYS SEQRES 2 A 19 ALA LYS THR ARG SER SER CRYST1 158.351 158.351 103.576 90.00 90.00 120.00 P 65 12 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 0.006315 0.003646 0.000000 0.00000 SCALE2 0.000000 0.007292 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009655 0.00000 ATOM 1 N LYS A 1 4.476 119.463 -32.923 1.00-22.65 N ATOM 2 1H LYS A 1 3.880 120.132 -33.392 1.00-22.65 H ATOM 3 2H LYS A 1 4.206 118.527 -33.193 1.00-22.65 H ATOM 4 3H LYS A 1 5.434 119.629 -33.199 1.00-22.65 H ATOM 5 CA LYS A 1 4.349 119.625 -31.441 1.00-22.65 C ATOM 6 HA LYS A 1 3.311 119.467 -31.153 1.00-22.65 H ATOM 7 C LYS A 1 4.763 121.035 -31.062 1.00-22.65 C ATOM 8 O LYS A 1 5.859 121.445 -31.425 1.00-22.65 O ATOM 9 CB LYS A 1 5.248 118.599 -30.727 1.00-22.65 C ATOM 10 1HB LYS A 1 5.001 117.606 -31.104 1.00-22.65 H ATOM 11 2HB LYS A 1 6.283 118.811 -30.997 1.00-22.65 H ATOM 12 CG LYS A 1 5.152 118.569 -29.190 1.00-22.65 C ATOM 13 1HG LYS A 1 5.343 119.568 -28.799 1.00-22.65 H ATOM 14 2HG LYS A 1 4.151 118.254 -28.894 1.00-22.65 H ATOM 15 CD LYS A 1 6.194 117.603 -28.603 1.00-22.65 C ATOM 16 1HD LYS A 1 6.018 116.599 -28.994 1.00-22.65 H ATOM 17 2HD LYS A 1 7.182 117.929 -28.936 1.00-22.65 H ATOM 18 CE LYS A 1 6.211 117.551 -27.064 1.00-22.65 C ATOM 19 1HE LYS A 1 7.119 117.023 -26.757 1.00-22.65 H ATOM 20 2HE LYS A 1 6.281 118.572 -26.681 1.00-22.65 H ATOM 21 NZ LYS A 1 5.030 116.859 -26.424 1.00-22.65 N ATOM 22 1HZ LYS A 1 5.138 116.860 -25.417 1.00-22.65 H ATOM 23 2HZ LYS A 1 4.978 115.900 -26.742 1.00-22.65 H ATOM 24 3HZ LYS A 1 4.172 117.337 -26.661 1.00-22.65 H ATOM 25 N GLY A 2 3.898 121.802 -30.406 1.00-10.68 N ATOM 26 H GLY A 2 2.991 121.460 -30.128 1.00-10.68 H ATOM 27 CA GLY A 2 4.204 123.206 -30.171 1.00-10.68 C ATOM 28 1HA GLY A 2 3.446 123.658 -29.531 1.00-10.68 H ATOM 29 2HA GLY A 2 5.183 123.297 -29.698 1.00-10.68 H ATOM 30 C GLY A 2 4.231 123.911 -31.514 1.00-10.68 C ATOM 31 O GLY A 2 3.713 123.372 -32.492 1.00-10.68 O ATOM 32 N ARG A 3 4.877 125.065 -31.604 1.00 6.99 N ATOM 33 H ARG A 3 5.298 125.468 -30.778 1.00 6.99 H ATOM 34 CA ARG A 3 5.027 125.771 -32.884 1.00 6.99 C ATOM 35 HA ARG A 3 4.146 125.580 -33.498 1.00 6.99 H ATOM 36 C ARG A 3 6.227 125.276 -33.697 1.00 6.99 C ATOM 37 O ARG A 3 6.672 125.936 -34.637 1.00 6.99 O ATOM 38 CB ARG A 3 5.137 127.285 -32.655 1.00 6.99 C ATOM 39 1HB ARG A 3 5.994 127.480 -32.011 1.00 6.99 H ATOM 40 2HB ARG A 3 5.324 127.753 -33.614 1.00 6.99 H ATOM 41 CG ARG A 3 3.907 127.980 -32.060 1.00 6.99 C ATOM 42 1HG ARG A 3 3.688 127.556 -31.080 1.00 6.99 H ATOM 43 2HG ARG A 3 4.144 129.036 -31.931 1.00 6.99 H ATOM 44 CD ARG A 3 2.657 127.868 -32.945 1.00 6.99 C ATOM 45 1HD ARG A 3 2.360 126.820 -33.007 1.00 6.99 H ATOM 46 2HD ARG A 3 1.847 128.426 -32.472 1.00 6.99 H ATOM 47 NE ARG A 3 2.865 128.385 -34.308 1.00 6.99 N ATOM 48 HE ARG A 3 3.778 128.770 -34.526 1.00 6.99 H ATOM 49 CZ ARG A 3 1.981 128.384 -35.296 1.00 6.99 C ATOM 50 NH1 ARG A 3 2.362 128.822 -36.460 1.00 6.99 N ATOM 51 1HH1 ARG A 3 3.324 129.136 -36.574 1.00 6.99 H ATOM 52 2HH1 ARG A 3 1.724 128.843 -37.235 1.00 6.99 H ATOM 53 NH2 ARG A 3 0.748 127.959 -35.173 1.00 6.99 N ATOM 54 1HH2 ARG A 3 0.424 127.626 -34.283 1.00 6.99 H ATOM 55 2HH2 ARG A 3 0.130 127.964 -35.965 1.00 6.99 H ATOM 56 N GLY A 4 6.773 124.121 -33.343 1.00 6.80 N ATOM 57 H GLY A 4 6.417 123.607 -32.553 1.00 6.80 H ATOM 58 CA GLY A 4 7.882 123.571 -34.105 1.00 6.80 C ATOM 59 1HA GLY A 4 8.146 122.584 -33.724 1.00 6.80 H ATOM 60 2HA GLY A 4 7.573 123.477 -35.146 1.00 6.80 H ATOM 61 C GLY A 4 9.096 124.475 -34.040 1.00 6.80 C ATOM 62 O GLY A 4 9.456 124.974 -32.978 1.00 6.80 O ATOM 63 N LYS A 5 9.688 124.755 -35.195 1.00 -9.84 N ATOM 64 H LYS A 5 9.301 124.373 -36.045 1.00 -9.84 H ATOM 65 CA LYS A 5 10.879 125.610 -35.281 1.00 -9.84 C ATOM 66 HA LYS A 5 11.657 125.173 -34.650 1.00 -9.84 H ATOM 67 C LYS A 5 10.662 127.038 -34.779 1.00 -9.84 C ATOM 68 O LYS A 5 11.626 127.699 -34.388 1.00 -9.84 O ATOM 69 CB LYS A 5 11.394 125.655 -36.727 1.00 -9.84 C ATOM 70 1HB LYS A 5 10.608 126.059 -37.366 1.00 -9.84 H ATOM 71 2HB LYS A 5 12.248 126.332 -36.764 1.00 -9.84 H ATOM 72 CG LYS A 5 11.832 124.295 -37.282 1.00 -9.84 C ATOM 73 1HG LYS A 5 12.592 123.874 -36.624 1.00 -9.84 H ATOM 74 2HG LYS A 5 10.975 123.622 -37.310 1.00 -9.84 H ATOM 75 CD LYS A 5 12.409 124.420 -38.694 1.00 -9.84 C ATOM 76 1HD LYS A 5 11.662 124.874 -39.346 1.00 -9.84 H ATOM 77 2HD LYS A 5 13.291 125.061 -38.662 1.00 -9.84 H ATOM 78 CE LYS A 5 12.803 123.048 -39.255 1.00 -9.84 C ATOM 79 1HE LYS A 5 13.526 122.585 -38.579 1.00 -9.84 H ATOM 80 2HE LYS A 5 11.914 122.414 -39.290 1.00 -9.84 H ATOM 81 NZ LYS A 5 13.403 123.135 -40.638 1.00 -9.84 N ATOM 82 1HZ LYS A 5 13.642 122.208 -40.968 1.00 -9.84 H ATOM 83 2HZ LYS A 5 14.241 123.701 -40.618 1.00 -9.84 H ATOM 84 3HZ LYS A 5 12.738 123.549 -41.278 1.00 -9.84 H ATOM 85 N GLN A 6 9.419 127.508 -34.755 1.00 -1.60 N ATOM 86 H GLN A 6 8.650 126.929 -35.071 1.00 -1.60 H ATOM 87 CA GLN A 6 9.118 128.843 -34.234 1.00 -1.60 C ATOM 88 HA GLN A 6 9.876 129.541 -34.582 1.00 -1.60 H ATOM 89 C GLN A 6 9.102 128.859 -32.705 1.00 -1.60 C ATOM 90 O GLN A 6 9.146 129.923 -32.098 1.00 -1.60 O ATOM 91 CB GLN A 6 7.747 129.329 -34.704 1.00 -1.60 C ATOM 92 1HB GLN A 6 7.009 128.635 -34.331 1.00 -1.60 H ATOM 93 2HB GLN A 6 7.556 130.302 -34.252 1.00 -1.60 H ATOM 94 CG GLN A 6 7.551 129.458 -36.203 1.00 -1.60 C ATOM 95 1HG GLN A 6 8.307 130.131 -36.607 1.00 -1.60 H ATOM 96 2HG GLN A 6 7.659 128.480 -36.672 1.00 -1.60 H ATOM 97 CD GLN A 6 6.174 130.007 -36.531 1.00 -1.60 C ATOM 98 OE1 GLN A 6 5.156 129.515 -36.049 1.00 -1.60 O ATOM 99 NE2 GLN A 6 6.127 131.037 -37.333 1.00 -1.60 N ATOM 100 1HE2 GLN A 6 5.233 131.440 -37.552 1.00 -1.60 H ATOM 101 2HE2 GLN A 6 6.972 131.425 -37.716 1.00 -1.60 H ATOM 102 N GLY A 7 9.054 127.695 -32.068 1.00 7.37 N ATOM 103 H GLY A 7 9.038 126.820 -32.584 1.00 7.37 H ATOM 104 CA GLY A 7 9.052 127.648 -30.613 1.00 7.37 C ATOM 105 1HA GLY A 7 8.256 128.283 -30.226 1.00 7.37 H ATOM 106 2HA GLY A 7 8.904 126.623 -30.272 1.00 7.37 H ATOM 107 C GLY A 7 10.384 128.160 -30.110 1.00 7.37 C ATOM 108 O GLY A 7 10.466 128.940 -29.168 1.00 7.37 O ATOM 109 N GLY A 8 11.433 127.825 -30.848 1.00 13.46 N ATOM 110 H GLY A 8 11.305 127.209 -31.636 1.00 13.46 H ATOM 111 CA GLY A 8 12.766 128.331 -30.561 1.00 13.46 C ATOM 112 1HA GLY A 8 12.921 128.327 -29.481 1.00 13.46 H ATOM 113 2HA GLY A 8 13.504 127.668 -31.010 1.00 13.46 H ATOM 114 C GLY A 8 13.013 129.741 -31.069 1.00 13.46 C ATOM 115 O GLY A 8 14.143 130.095 -31.396 1.00 13.46 O ATOM 116 N LYS A 9 11.958 130.530 -31.237 1.00 18.45 N ATOM 117 H LYS A 9 11.034 130.156 -31.043 1.00 18.45 H ATOM 118 CA LYS A 9 12.061 131.928 -31.676 1.00 18.45 C ATOM 119 HA LYS A 9 13.103 132.237 -31.623 1.00 18.45 H ATOM 120 C LYS A 9 11.265 132.838 -30.754 1.00 18.45 C ATOM 121 O LYS A 9 11.272 134.056 -30.943 1.00 18.45 O ATOM 122 CB LYS A 9 11.557 132.107 -33.121 1.00 18.45 C ATOM 123 1HB LYS A 9 10.487 131.906 -33.132 1.00 18.45 H ATOM 124 2HB LYS A 9 11.704 133.144 -33.422 1.00 18.45 H ATOM 125 CG LYS A 9 12.217 131.199 -34.159 1.00 18.45 C ATOM 126 1HG LYS A 9 12.097 130.173 -33.828 1.00 18.45 H ATOM 127 2HG LYS A 9 11.696 131.307 -35.110 1.00 18.45 H ATOM 128 CD LYS A 9 13.706 131.496 -34.385 1.00 18.45 C ATOM 129 1HD LYS A 9 13.800 132.394 -34.997 1.00 18.45 H ATOM 130 2HD LYS A 9 14.199 131.679 -33.433 1.00 18.45 H ATOM 131 CE LYS A 9 14.421 130.331 -35.064 1.00 18.45 C ATOM 132 1HE LYS A 9 13.920 130.092 -36.004 1.00 18.45 H ATOM 133 2HE LYS A 9 15.450 130.631 -35.276 1.00 18.45 H ATOM 134 NZ LYS A 9 14.437 129.119 -34.165 1.00 18.45 N ATOM 135 1HZ LYS A 9 15.086 128.430 -34.514 1.00 18.45 H ATOM 136 2HZ LYS A 9 13.507 128.715 -34.118 1.00 18.45 H ATOM 137 3HZ LYS A 9 14.715 129.396 -33.226 1.00 18.45 H ATOM 138 N VAL A 10 10.604 132.267 -29.757 1.00 -0.16 N ATOM 139 H VAL A 10 10.677 131.271 -29.597 1.00 -0.16 H ATOM 140 CA VAL A 10 9.766 133.023 -28.826 1.00 -0.16 C ATOM 141 HA VAL A 10 9.923 134.090 -28.976 1.00 -0.16 H ATOM 142 C VAL A 10 10.190 132.679 -27.403 1.00 -0.16 C ATOM 143 O VAL A 10 10.893 131.690 -27.193 1.00 -0.16 O ATOM 144 CB VAL A 10 8.249 132.720 -29.038 1.00 -0.16 C ATOM 145 HB VAL A 10 7.682 133.285 -28.299 1.00 -0.16 H ATOM 146 CG1 VAL A 10 7.798 133.175 -30.433 1.00 -0.16 C ATOM 147 1HG1 VAL A 10 6.717 133.065 -30.523 1.00 -0.16 H ATOM 148 2HG1 VAL A 10 8.277 132.575 -31.208 1.00 -0.16 H ATOM 149 3HG1 VAL A 10 8.053 134.225 -30.586 1.00 -0.16 H ATOM 150 CG2 VAL A 10 7.921 131.229 -28.859 1.00 -0.16 C ATOM 151 1HG2 VAL A 10 6.843 131.083 -28.923 1.00 -0.16 H ATOM 152 2HG2 VAL A 10 8.269 130.873 -27.890 1.00 -0.16 H ATOM 153 3HG2 VAL A 10 8.400 130.641 -29.642 1.00 -0.16 H ATOM 154 N ARG A 11 9.763 133.491 -26.440 1.00 10.69 N ATOM 155 H ARG A 11 9.198 134.286 -26.696 1.00 10.69 H ATOM 156 CA ARG A 11 10.122 133.329 -25.022 1.00 10.69 C ATOM 157 HA ARG A 11 9.788 134.213 -24.478 1.00 10.69 H ATOM 158 C ARG A 11 11.649 133.292 -24.906 1.00 10.69 C ATOM 159 O ARG A 11 12.304 134.163 -25.464 1.00 10.69 O ATOM 160 CB ARG A 11 9.423 132.106 -24.399 1.00 10.69 C ATOM 161 1HB ARG A 11 9.765 131.198 -24.898 1.00 10.69 H ATOM 162 2HB ARG A 11 9.695 132.047 -23.345 1.00 10.69 H ATOM 163 CG ARG A 11 7.899 132.156 -24.486 1.00 10.69 C ATOM 164 1HG ARG A 11 7.545 133.072 -24.013 1.00 10.69 H ATOM 165 2HG ARG A 11 7.592 132.152 -25.532 1.00 10.69 H ATOM 166 CD ARG A 11 7.274 130.958 -23.784 1.00 10.69 C ATOM 167 1HD ARG A 11 7.653 130.042 -24.241 1.00 10.69 H ATOM 168 2HD ARG A 11 7.565 130.976 -22.733 1.00 10.69 H ATOM 169 NE ARG A 11 5.805 130.978 -23.875 1.00 10.69 N ATOM 170 HE ARG A 11 5.399 131.743 -24.391 1.00 10.69 H ATOM 171 CZ ARG A 11 4.971 130.094 -23.341 1.00 10.69 C ATOM 172 NH1 ARG A 11 3.688 130.266 -23.498 1.00 10.69 N ATOM 173 1HH1 ARG A 11 3.337 131.056 -24.013 1.00 10.69 H ATOM 174 2HH1 ARG A 11 3.039 129.611 -23.094 1.00 10.69 H ATOM 175 NH2 ARG A 11 5.364 129.051 -22.652 1.00 10.69 N ATOM 176 1HH2 ARG A 11 6.345 128.892 -22.506 1.00 10.69 H ATOM 177 2HH2 ARG A 11 4.689 128.415 -22.263 1.00 10.69 H ATOM 178 N ALA A 12 12.202 132.314 -24.202 1.00 29.70 N ATOM 179 H ALA A 12 11.615 131.616 -23.783 1.00 29.70 H ATOM 180 CA ALA A 12 13.646 132.205 -23.996 1.00 29.70 C ATOM 181 HA ALA A 12 14.028 133.183 -23.698 1.00 29.70 H ATOM 182 C ALA A 12 14.423 131.776 -25.250 1.00 29.70 C ATOM 183 O ALA A 12 15.640 131.919 -25.290 1.00 29.70 O ATOM 184 CB ALA A 12 13.913 131.214 -22.853 1.00 29.70 C ATOM 185 1HB ALA A 12 13.406 131.542 -21.945 1.00 29.70 H ATOM 186 2HB ALA A 12 14.987 131.169 -22.660 1.00 29.70 H ATOM 187 3HB ALA A 12 13.571 130.216 -23.130 1.00 29.70 H ATOM 188 N LYS A 13 13.712 131.248 -26.244 1.00 12.40 N ATOM 189 H LYS A 13 12.709 131.187 -26.122 1.00 12.40 H ATOM 190 CA LYS A 13 14.230 130.781 -27.547 1.00 12.40 C ATOM 191 HA LYS A 13 13.356 130.447 -28.105 1.00 12.40 H ATOM 192 C LYS A 13 15.196 129.592 -27.557 1.00 12.40 C ATOM 193 O LYS A 13 15.365 128.950 -28.588 1.00 12.40 O ATOM 194 CB LYS A 13 14.835 131.946 -28.347 1.00 12.40 C ATOM 195 1HB LYS A 13 15.824 132.178 -27.953 1.00 12.40 H ATOM 196 2HB LYS A 13 14.945 131.634 -29.385 1.00 12.40 H ATOM 197 CG LYS A 13 13.986 133.205 -28.284 1.00 12.40 C ATOM 198 1HG LYS A 13 12.948 132.930 -28.440 1.00 12.40 H ATOM 199 2HG LYS A 13 14.087 133.646 -27.295 1.00 12.40 H ATOM 200 CD LYS A 13 14.350 134.256 -29.303 1.00 12.40 C ATOM 201 1HD LYS A 13 15.404 134.520 -29.216 1.00 12.40 H ATOM 202 2HD LYS A 13 14.148 133.865 -30.299 1.00 12.40 H ATOM 203 CE LYS A 13 13.478 135.479 -29.035 1.00 12.40 C ATOM 204 1HE LYS A 13 12.517 135.138 -28.644 1.00 12.40 H ATOM 205 2HE LYS A 13 13.955 136.100 -28.274 1.00 12.40 H ATOM 206 NZ LYS A 13 13.221 136.276 -30.278 1.00 12.40 N ATOM 207 1HZ LYS A 13 12.695 137.108 -30.051 1.00 12.40 H ATOM 208 2HZ LYS A 13 12.674 135.712 -30.922 1.00 12.40 H ATOM 209 3HZ LYS A 13 14.096 136.536 -30.711 1.00 12.40 H ATOM 210 N ALA A 14 15.787 129.278 -26.418 1.00 3.39 N ATOM 211 H ALA A 14 15.614 129.852 -25.601 1.00 3.39 H ATOM 212 CA ALA A 14 16.689 128.151 -26.240 1.00 3.39 C ATOM 213 HA ALA A 14 16.421 127.333 -26.909 1.00 3.39 H ATOM 214 C ALA A 14 16.473 127.732 -24.786 1.00 3.39 C ATOM 215 O ALA A 14 15.808 128.445 -24.034 1.00 3.39 O ATOM 216 CB ALA A 14 18.141 128.592 -26.485 1.00 3.39 C ATOM 217 1HB ALA A 14 18.242 128.944 -27.513 1.00 3.39 H ATOM 218 2HB ALA A 14 18.820 127.754 -26.328 1.00 3.39 H ATOM 219 3HB ALA A 14 18.401 129.404 -25.803 1.00 3.39 H ATOM 220 N LYS A 15 17.040 126.603 -24.386 1.00 -1.03 N ATOM 221 H LYS A 15 17.591 126.057 -25.037 1.00 -1.03 H ATOM 222 CA LYS A 15 16.963 126.117 -23.007 1.00 -1.03 C ATOM 223 HA LYS A 15 16.814 126.947 -22.315 1.00 -1.03 H ATOM 224 C LYS A 15 18.302 125.442 -22.775 1.00 -1.03 C ATOM 225 O LYS A 15 18.879 124.933 -23.734 1.00 -1.03 O ATOM 226 CB LYS A 15 15.838 125.082 -22.875 1.00 -1.03 C ATOM 227 1HB LYS A 15 14.941 125.490 -23.342 1.00 -1.03 H ATOM 228 2HB LYS A 15 16.128 124.185 -23.422 1.00 -1.03 H ATOM 229 CG LYS A 15 15.495 124.694 -21.442 1.00 -1.03 C ATOM 230 1HG LYS A 15 16.407 124.547 -20.871 1.00 -1.03 H ATOM 231 2HG LYS A 15 14.926 125.500 -20.982 1.00 -1.03 H ATOM 232 CD LYS A 15 14.680 123.411 -21.390 1.00 -1.03 C ATOM 233 1HD LYS A 15 13.760 123.538 -21.961 1.00 -1.03 H ATOM 234 2HD LYS A 15 15.270 122.601 -21.822 1.00 -1.03 H ATOM 235 CE LYS A 15 14.350 123.066 -19.948 1.00 -1.03 C ATOM 236 1HE LYS A 15 15.262 123.168 -19.356 1.00 -1.03 H ATOM 237 2HE LYS A 15 13.609 123.766 -19.562 1.00 -1.03 H ATOM 238 NZ LYS A 15 13.850 121.661 -19.796 1.00 -1.03 N ATOM 239 1HZ LYS A 15 13.735 121.457 -18.804 1.00 -1.03 H ATOM 240 2HZ LYS A 15 14.569 121.018 -20.116 1.00 -1.03 H ATOM 241 3HZ LYS A 15 12.987 121.515 -20.292 1.00 -1.03 H ATOM 242 N THR A 16 18.788 125.388 -21.549 1.00 -1.94 N ATOM 243 H THR A 16 18.329 125.850 -20.776 1.00 -1.94 H ATOM 244 CA THR A 16 19.915 124.528 -21.223 1.00 -1.94 C ATOM 245 HA THR A 16 20.758 124.720 -21.884 1.00 -1.94 H ATOM 246 C THR A 16 19.444 123.083 -21.378 1.00 -1.94 C ATOM 247 O THR A 16 18.336 122.739 -20.976 1.00 -1.94 O ATOM 248 CB THR A 16 20.298 124.774 -19.757 1.00 -1.94 C ATOM 249 HB THR A 16 20.694 123.861 -19.310 1.00 -1.94 H ATOM 250 OG1 THR A 16 19.125 125.212 -19.065 1.00 -1.94 O ATOM 251 HG1 THR A 16 19.023 124.667 -18.267 1.00 -1.94 H ATOM 252 CG2 THR A 16 21.314 125.892 -19.632 1.00 -1.94 C ATOM 253 1HG2 THR A 16 21.519 126.068 -18.576 1.00 -1.94 H ATOM 254 2HG2 THR A 16 20.921 126.809 -20.073 1.00 -1.94 H ATOM 255 3HG2 THR A 16 22.242 125.613 -20.131 1.00 -1.94 H ATOM 256 N ARG A 17 20.265 122.222 -21.968 1.00 -5.39 N ATOM 257 H ARG A 17 21.145 122.540 -22.345 1.00 -5.39 H ATOM 258 CA ARG A 17 19.886 120.809 -22.099 1.00 -5.39 C ATOM 259 HA ARG A 17 18.851 120.768 -22.440 1.00 -5.39 H ATOM 260 C ARG A 17 19.934 120.114 -20.742 1.00 -5.39 C ATOM 261 O ARG A 17 19.246 119.124 -20.521 1.00 -5.39 O ATOM 262 CB ARG A 17 20.786 120.096 -23.121 1.00 -5.39 C ATOM 263 1HB ARG A 17 20.692 120.618 -24.073 1.00 -5.39 H ATOM 264 2HB ARG A 17 21.822 120.182 -22.790 1.00 -5.39 H ATOM 265 CG ARG A 17 20.487 118.603 -23.358 1.00 -5.39 C ATOM 266 1HG ARG A 17 21.179 118.218 -24.107 1.00 -5.39 H ATOM 267 2HG ARG A 17 20.659 118.059 -22.430 1.00 -5.39 H ATOM 268 CD ARG A 17 19.049 118.335 -23.820 1.00 -5.39 C ATOM 269 1HD ARG A 17 18.349 118.853 -23.165 1.00 -5.39 H ATOM 270 2HD ARG A 17 18.926 118.722 -24.832 1.00 -5.39 H ATOM 271 NE ARG A 17 18.722 116.900 -23.800 1.00 -5.39 N ATOM 272 HE ARG A 17 18.869 116.399 -24.661 1.00 -5.39 H ATOM 273 CZ ARG A 17 18.226 116.219 -22.770 1.00 -5.39 C ATOM 274 NH1 ARG A 17 17.912 114.966 -22.952 1.00 -5.39 N ATOM 275 1HH1 ARG A 17 18.033 114.536 -23.852 1.00 -5.39 H ATOM 276 2HH1 ARG A 17 17.547 114.428 -22.185 1.00 -5.39 H ATOM 277 NH2 ARG A 17 18.033 116.714 -21.571 1.00 -5.39 N ATOM 278 1HH2 ARG A 17 18.328 117.665 -21.351 1.00 -5.39 H ATOM 279 2HH2 ARG A 17 17.610 116.162 -20.848 1.00 -5.39 H ATOM 280 N SER A 18 20.732 120.648 -19.836 1.00 -8.89 N ATOM 281 H SER A 18 21.283 121.449 -20.075 1.00 -8.89 H ATOM 282 CA SER A 18 20.868 120.121 -18.480 1.00 -8.89 C ATOM 283 HA SER A 18 20.811 119.033 -18.511 1.00 -8.89 H ATOM 284 C SER A 18 19.796 120.640 -17.523 1.00 -8.89 C ATOM 285 O SER A 18 20.092 120.968 -16.375 1.00 -8.89 O ATOM 286 CB SER A 18 22.239 120.531 -17.956 1.00 -8.89 C ATOM 287 1HB SER A 18 22.230 121.593 -17.707 1.00 -8.89 H ATOM 288 2HB SER A 18 22.480 119.950 -17.065 1.00 -8.89 H ATOM 289 OG SER A 18 23.206 120.305 -18.969 1.00 -8.89 O ATOM 290 HG SER A 18 24.079 120.363 -18.570 1.00 -8.89 H ATOM 291 N SER A 19 18.577 120.810 -18.015 1.00 2.03 N ATOM 292 H SER A 19 18.347 120.503 -18.957 1.00 2.03 H ATOM 293 CA SER A 19 17.472 121.381 -17.256 1.00 2.03 C ATOM 294 HA SER A 19 17.498 121.057 -16.215 1.00 2.03 H ATOM 295 C SER A 19 16.225 120.852 -17.932 1.00 2.03 C ATOM 296 O SER A 19 15.115 120.991 -17.388 1.00 2.03 O ATOM 297 OXT SER A 19 16.378 120.386 -19.086 1.00 2.03 O ATOM 298 CB SER A 19 17.483 122.905 -17.353 1.00 2.03 C ATOM 299 1HB SER A 19 17.310 123.196 -18.390 1.00 2.03 H ATOM 300 2HB SER A 19 16.687 123.311 -16.727 1.00 2.03 H ATOM 301 OG SER A 19 18.741 123.405 -16.930 1.00 2.03 O ATOM 302 HG SER A 19 19.185 122.687 -16.449 1.00 2.03 H TER 303 SER A 19 END
SEQUENCE	KGRGKQGGKVRAKAKTRSS
HELICITY	57.90	INSTAB. INDEX	39.35	FLEXIBILITY	15.47
a HYD. MOM.	14.48	b HYD. MOM.	6.04	c HYD. MOM	0.99
a MEAN HYD. MOM.	0.76	b MEAN HYD. MOM.	0.32	c MEAN HYD. MOM.	0.05
CHARGE pH5	8.00	CHARGE pH7	8.00	CHARGE pH9	7.68
Δ CHARGE pH5-pH9	0.33	ISOELECTRIC POINT	12.32	BOMAN INDEX	4.00
ΔG	27	CPP	0,16	MLP	-23,21
MOLECULAR VOLUME		POLARITY
MIC E. coli	0,50	MIC P. aeruginosa		MIC S. typhimurium	1
MIC S. aureus	1	MIC M. luteus		MIC B. subtilis	0,50
MIC C. albicans	0,50	OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Actinopterygii	ORDER	Siluriformes
FAMILY	Siluridae	GENUS	Silurus	SPECIES	Parasilurus asotus
DATE	2000
TITLE PAPER	Parasin I, an antimicrobial peptide derived from histone H2A in the catfish, Parasilurus asotus