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ID	1706	NAME	BHP   Blast NCBI-PROT
LENGTH	29	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\FLSFPTTKTYFPHFDLSHGSAQVKGHGAK.pdb REMARK YASARA Written on: Wed May 14 14:00:30 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 448 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 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 48.54000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 49.54000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 48.54000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 49.54000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEMOGLOBIN ALPHA CHAIN; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: HEMOGLOBIN BETA CHAIN; COMPND 6 MOL_ID: 3; COMPND 7 MOLECULE: `NOTE:` This template has been downloaded from PDB_REDO (www.cmbi.ru.nl/pdb_redo), since re-refinement improved the structure quality Z-score by 0.333.; SEQRES 1 A 29 PHE LEU SER PHE PRO THR THR LYS THR TYR PHE PRO HIS SEQRES 2 A 29 PHE ASP LEU SER HIS GLY SER ALA GLN VAL LYS GLY HIS SEQRES 3 A 29 GLY ALA LYS CRYST1 97.080 99.080 66.070 90.00 90.00 90.00 P 21 21 2 8 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 0.010301 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010093 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015135 0.00000 ATOM 1 N PHE A 1 9.909 -7.903 17.982 1.00 0.88 N ATOM 2 1H PHE A 1 9.019 -8.084 17.536 1.00 0.88 H ATOM 3 2H PHE A 1 9.757 -7.840 18.981 1.00 0.88 H ATOM 4 3H PHE A 1 10.537 -8.671 17.796 1.00 0.88 H ATOM 5 CA PHE A 1 10.491 -6.637 17.470 1.00 0.88 C ATOM 6 HA PHE A 1 10.590 -6.731 16.390 1.00 0.88 H ATOM 7 C PHE A 1 11.894 -6.450 18.026 1.00 0.88 C ATOM 8 O PHE A 1 12.780 -7.174 17.605 1.00 0.88 O ATOM 9 CB PHE A 1 9.556 -5.457 17.753 1.00 0.88 C ATOM 10 1HB PHE A 1 9.330 -5.429 18.819 1.00 0.88 H ATOM 11 2HB PHE A 1 10.064 -4.534 17.477 1.00 0.88 H ATOM 12 CG PHE A 1 8.265 -5.531 16.981 1.00 0.88 C ATOM 13 CD1 PHE A 1 7.213 -6.345 17.429 1.00 0.88 C ATOM 14 HD1 PHE A 1 7.306 -6.865 18.369 1.00 0.88 H ATOM 15 CD2 PHE A 1 8.110 -4.827 15.776 1.00 0.88 C ATOM 16 HD2 PHE A 1 8.902 -4.185 15.414 1.00 0.88 H ATOM 17 CE1 PHE A 1 6.040 -6.516 16.657 1.00 0.88 C ATOM 18 HE1 PHE A 1 5.266 -7.191 16.992 1.00 0.88 H ATOM 19 CE2 PHE A 1 6.921 -4.956 15.011 1.00 0.88 C ATOM 20 HE2 PHE A 1 6.812 -4.411 14.085 1.00 0.88 H ATOM 21 CZ PHE A 1 5.893 -5.814 15.444 1.00 0.88 C ATOM 22 HZ PHE A 1 5.003 -5.940 14.844 1.00 0.88 H ATOM 23 N LEU A 2 12.150 -5.540 18.961 1.00 -3.21 N ATOM 24 H LEU A 2 11.408 -4.963 19.330 1.00 -3.21 H ATOM 25 CA LEU A 2 13.520 -5.350 19.473 1.00 -3.21 C ATOM 26 HA LEU A 2 14.205 -5.260 18.634 1.00 -3.21 H ATOM 27 C LEU A 2 14.022 -6.496 20.343 1.00 -3.21 C ATOM 28 O LEU A 2 15.215 -6.596 20.614 1.00 -3.21 O ATOM 29 CB LEU A 2 13.626 -4.085 20.330 1.00 -3.21 C ATOM 30 1HB LEU A 2 12.927 -4.187 21.160 1.00 -3.21 H ATOM 31 2HB LEU A 2 14.629 -4.067 20.756 1.00 -3.21 H ATOM 32 CG LEU A 2 13.399 -2.716 19.681 1.00 -3.21 C ATOM 33 HG LEU A 2 12.404 -2.699 19.256 1.00 -3.21 H ATOM 34 CD1 LEU A 2 13.483 -1.648 20.765 1.00 -3.21 C ATOM 35 1HD1 LEU A 2 13.314 -0.670 20.317 1.00 -3.21 H ATOM 36 2HD1 LEU A 2 14.465 -1.675 21.238 1.00 -3.21 H ATOM 37 3HD1 LEU A 2 12.715 -1.823 21.520 1.00 -3.21 H ATOM 38 CD2 LEU A 2 14.371 -2.430 18.566 1.00 -3.21 C ATOM 39 1HD2 LEU A 2 14.173 -1.436 18.164 1.00 -3.21 H ATOM 40 2HD2 LEU A 2 14.228 -3.149 17.765 1.00 -3.21 H ATOM 41 3HD2 LEU A 2 15.393 -2.469 18.935 1.00 -3.21 H ATOM 42 N SER A 3 13.086 -7.320 20.782 1.00 5.46 N ATOM 43 H SER A 3 12.137 -7.209 20.467 1.00 5.46 H ATOM 44 CA SER A 3 13.297 -8.412 21.722 1.00 5.46 C ATOM 45 HA SER A 3 13.612 -8.010 22.684 1.00 5.46 H ATOM 46 C SER A 3 14.326 -9.450 21.288 1.00 5.46 C ATOM 47 O SER A 3 15.063 -9.977 22.114 1.00 5.46 O ATOM 48 CB SER A 3 11.925 -9.064 21.859 1.00 5.46 C ATOM 49 1HB SER A 3 12.026 -10.147 21.937 1.00 5.46 H ATOM 50 2HB SER A 3 11.426 -8.674 22.746 1.00 5.46 H ATOM 51 OG SER A 3 11.173 -8.705 20.699 1.00 5.46 O ATOM 52 HG SER A 3 10.227 -8.898 20.863 1.00 5.46 H ATOM 53 N PHE A 4 14.401 -9.727 19.995 1.00 -3.48 N ATOM 54 H PHE A 4 13.756 -9.291 19.351 1.00 -3.48 H ATOM 55 CA PHE A 4 15.403 -10.642 19.457 1.00 -3.48 C ATOM 56 HA PHE A 4 16.189 -10.796 20.195 1.00 -3.48 H ATOM 57 C PHE A 4 15.970 -10.011 18.193 1.00 -3.48 C ATOM 58 O PHE A 4 15.234 -9.320 17.482 1.00 -3.48 O ATOM 59 CB PHE A 4 14.761 -11.989 19.106 1.00 -3.48 C ATOM 60 1HB PHE A 4 14.056 -11.836 18.294 1.00 -3.48 H ATOM 61 2HB PHE A 4 15.538 -12.670 18.760 1.00 -3.48 H ATOM 62 CG PHE A 4 14.029 -12.626 20.254 1.00 -3.48 C ATOM 63 CD1 PHE A 4 12.637 -12.467 20.386 1.00 -3.48 C ATOM 64 HD1 PHE A 4 12.090 -11.881 19.664 1.00 -3.48 H ATOM 65 CD2 PHE A 4 14.727 -13.373 21.218 1.00 -3.48 C ATOM 66 HD2 PHE A 4 15.797 -13.495 21.137 1.00 -3.48 H ATOM 67 CE1 PHE A 4 11.938 -13.051 21.469 1.00 -3.48 C ATOM 68 HE1 PHE A 4 10.870 -12.917 21.561 1.00 -3.48 H ATOM 69 CE2 PHE A 4 14.043 -13.961 22.312 1.00 -3.48 C ATOM 70 HE2 PHE A 4 14.591 -14.526 23.053 1.00 -3.48 H ATOM 71 CZ PHE A 4 12.644 -13.799 22.437 1.00 -3.48 C ATOM 72 HZ PHE A 4 12.118 -14.239 23.271 1.00 -3.48 H ATOM 73 N PRO A 5 17.247 -10.266 17.849 1.00 2.14 N ATOM 74 CA PRO A 5 17.705 -9.696 16.572 1.00 2.14 C ATOM 75 HA PRO A 5 17.651 -8.608 16.609 1.00 2.14 H ATOM 76 C PRO A 5 16.923 -10.215 15.367 1.00 2.14 C ATOM 77 O PRO A 5 16.655 -9.481 14.420 1.00 2.14 O ATOM 78 CB PRO A 5 19.165 -10.156 16.491 1.00 2.14 C ATOM 79 1HB PRO A 5 19.237 -11.084 15.924 1.00 2.14 H ATOM 80 2HB PRO A 5 19.790 -9.386 16.040 1.00 2.14 H ATOM 81 CG PRO A 5 19.557 -10.394 17.908 1.00 2.14 C ATOM 82 1HG PRO A 5 20.412 -11.067 17.972 1.00 2.14 H ATOM 83 2HG PRO A 5 19.776 -9.444 18.398 1.00 2.14 H ATOM 84 CD PRO A 5 18.331 -11.015 18.511 1.00 2.14 C ATOM 85 1HD PRO A 5 18.271 -12.077 18.263 1.00 2.14 H ATOM 86 2HD PRO A 5 18.320 -10.864 19.592 1.00 2.14 H ATOM 87 N THR A 6 16.487 -11.464 15.434 1.00-10.72 N ATOM 88 H THR A 6 16.704 -12.042 16.232 1.00-10.72 H ATOM 89 CA THR A 6 15.687 -12.059 14.370 1.00-10.72 C ATOM 90 HA THR A 6 16.204 -11.954 13.416 1.00-10.72 H ATOM 91 C THR A 6 14.329 -11.382 14.246 1.00-10.72 C ATOM 92 O THR A 6 13.836 -11.168 13.150 1.00-10.72 O ATOM 93 CB THR A 6 15.456 -13.546 14.669 1.00-10.72 C ATOM 94 HB THR A 6 14.717 -13.950 13.981 1.00-10.72 H ATOM 95 OG1 THR A 6 15.010 -13.672 16.023 1.00-10.72 O ATOM 96 HG1 THR A 6 14.754 -14.590 16.166 1.00-10.72 H ATOM 97 CG2 THR A 6 16.745 -14.343 14.559 1.00-10.72 C ATOM 98 1HG2 THR A 6 16.525 -15.402 14.700 1.00-10.72 H ATOM 99 2HG2 THR A 6 17.459 -14.026 15.318 1.00-10.72 H ATOM 100 3HG2 THR A 6 17.182 -14.207 13.568 1.00-10.72 H ATOM 101 N THR A 7 13.738 -10.956 15.351 1.00 -2.33 N ATOM 102 H THR A 7 14.161 -11.100 16.255 1.00 -2.33 H ATOM 103 CA THR A 7 12.449 -10.281 15.269 1.00 -2.33 C ATOM 104 HA THR A 7 11.867 -10.747 14.477 1.00 -2.33 H ATOM 105 C THR A 7 12.611 -8.818 14.882 1.00 -2.33 C ATOM 106 O THR A 7 11.633 -8.172 14.534 1.00 -2.33 O ATOM 107 CB THR A 7 11.638 -10.407 16.563 1.00 -2.33 C ATOM 108 HB THR A 7 10.711 -9.848 16.452 1.00 -2.33 H ATOM 109 OG1 THR A 7 12.387 -9.890 17.666 1.00 -2.33 O ATOM 110 HG1 THR A 7 12.799 -9.050 17.407 1.00 -2.33 H ATOM 111 CG2 THR A 7 11.299 -11.850 16.882 1.00 -2.33 C ATOM 112 1HG2 THR A 7 10.705 -11.881 17.797 1.00 -2.33 H ATOM 113 2HG2 THR A 7 12.204 -12.437 17.028 1.00 -2.33 H ATOM 114 3HG2 THR A 7 10.710 -12.282 16.075 1.00 -2.33 H ATOM 115 N LYS A 8 13.830 -8.291 14.863 1.00 0.20 N ATOM 116 H LYS A 8 14.618 -8.803 15.243 1.00 0.20 H ATOM 117 CA LYS A 8 14.042 -6.990 14.225 1.00 0.20 C ATOM 118 HA LYS A 8 13.224 -6.321 14.495 1.00 0.20 H ATOM 119 C LYS A 8 13.975 -7.214 12.723 1.00 0.20 C ATOM 120 O LYS A 8 13.276 -6.501 12.023 1.00 0.20 O ATOM 121 CB LYS A 8 15.374 -6.329 14.611 1.00 0.20 C ATOM 122 1HB LYS A 8 16.197 -7.001 14.380 1.00 0.20 H ATOM 123 2HB LYS A 8 15.485 -5.438 13.997 1.00 0.20 H ATOM 124 CG LYS A 8 15.452 -5.929 16.084 1.00 0.20 C ATOM 125 1HG LYS A 8 14.560 -5.355 16.331 1.00 0.20 H ATOM 126 2HG LYS A 8 15.453 -6.834 16.688 1.00 0.20 H ATOM 127 CD LYS A 8 16.680 -5.092 16.465 1.00 0.20 C ATOM 128 1HD LYS A 8 16.716 -5.033 17.553 1.00 0.20 H ATOM 129 2HD LYS A 8 17.587 -5.582 16.108 1.00 0.20 H ATOM 130 CE LYS A 8 16.595 -3.670 15.900 1.00 0.20 C ATOM 131 1HE LYS A 8 16.696 -3.711 14.814 1.00 0.20 H ATOM 132 2HE LYS A 8 15.600 -3.284 16.120 1.00 0.20 H ATOM 133 NZ LYS A 8 17.590 -2.682 16.449 1.00 0.20 N ATOM 134 1HZ LYS A 8 17.335 -1.749 16.134 1.00 0.20 H ATOM 135 2HZ LYS A 8 18.523 -2.903 16.133 1.00 0.20 H ATOM 136 3HZ LYS A 8 17.568 -2.683 17.463 1.00 0.20 H ATOM 137 N THR A 9 14.654 -8.237 12.227 1.00 -4.47 N ATOM 138 H THR A 9 15.204 -8.840 12.830 1.00 -4.47 H ATOM 139 CA THR A 9 14.659 -8.498 10.787 1.00 -4.47 C ATOM 140 HA THR A 9 14.849 -7.556 10.273 1.00 -4.47 H ATOM 141 C THR A 9 13.323 -9.007 10.247 1.00 -4.47 C ATOM 142 O THR A 9 13.052 -8.865 9.062 1.00 -4.47 O ATOM 143 CB THR A 9 15.790 -9.476 10.398 1.00 -4.47 C ATOM 144 HB THR A 9 15.705 -9.736 9.343 1.00 -4.47 H ATOM 145 OG1 THR A 9 15.735 -10.652 11.208 1.00 -4.47 O ATOM 146 HG1 THR A 9 14.825 -10.966 11.252 1.00 -4.47 H ATOM 147 CG2 THR A 9 17.158 -8.862 10.656 1.00 -4.47 C ATOM 148 1HG2 THR A 9 17.925 -9.551 10.305 1.00 -4.47 H ATOM 149 2HG2 THR A 9 17.301 -8.692 11.723 1.00 -4.47 H ATOM 150 3HG2 THR A 9 17.253 -7.920 10.115 1.00 -4.47 H ATOM 151 N TYR A 10 12.464 -9.551 11.100 1.00 -7.50 N ATOM 152 H TYR A 10 12.746 -9.739 12.053 1.00 -7.50 H ATOM 153 CA TYR A 10 11.116 -9.929 10.669 1.00 -7.50 C ATOM 154 HA TYR A 10 11.183 -10.433 9.706 1.00 -7.50 H ATOM 155 C TYR A 10 10.194 -8.726 10.497 1.00 -7.50 C ATOM 156 O TYR A 10 9.197 -8.810 9.783 1.00 -7.50 O ATOM 157 CB TYR A 10 10.449 -10.877 11.674 1.00 -7.50 C ATOM 158 1HB TYR A 10 10.365 -10.357 12.628 1.00 -7.50 H ATOM 159 2HB TYR A 10 9.440 -11.092 11.322 1.00 -7.50 H ATOM 160 CG TYR A 10 11.158 -12.200 11.915 1.00 -7.50 C ATOM 161 CD1 TYR A 10 10.992 -12.868 13.146 1.00 -7.50 C ATOM 162 HD1 TYR A 10 10.319 -12.459 13.884 1.00 -7.50 H ATOM 163 CD2 TYR A 10 12.000 -12.793 10.942 1.00 -7.50 C ATOM 164 HD2 TYR A 10 12.129 -12.336 9.971 1.00 -7.50 H ATOM 165 CE1 TYR A 10 11.697 -14.066 13.431 1.00 -7.50 C ATOM 166 HE1 TYR A 10 11.573 -14.560 14.382 1.00 -7.50 H ATOM 167 CE2 TYR A 10 12.701 -13.997 11.224 1.00 -7.50 C ATOM 168 HE2 TYR A 10 13.353 -14.428 10.481 1.00 -7.50 H ATOM 169 CZ TYR A 10 12.547 -14.612 12.469 1.00 -7.50 C ATOM 170 OH TYR A 10 13.236 -15.764 12.754 1.00 -7.50 O ATOM 171 HH TYR A 10 13.747 -16.079 12.006 1.00 -7.50 H ATOM 172 N PHE A 11 10.505 -7.616 11.156 1.00 -1.18 N ATOM 173 H PHE A 11 11.354 -7.568 11.702 1.00 -1.18 H ATOM 174 CA PHE A 11 9.643 -6.434 11.110 1.00 -1.18 C ATOM 175 HA PHE A 11 8.869 -6.606 10.368 1.00 -1.18 H ATOM 176 C PHE A 11 10.360 -5.139 10.707 1.00 -1.18 C ATOM 177 O PHE A 11 10.408 -4.195 11.493 1.00 -1.18 O ATOM 178 CB PHE A 11 8.953 -6.238 12.466 1.00 -1.18 C ATOM 179 1HB PHE A 11 9.703 -5.958 13.206 1.00 -1.18 H ATOM 180 2HB PHE A 11 8.235 -5.424 12.373 1.00 -1.18 H ATOM 181 CG PHE A 11 8.229 -7.463 12.975 1.00 -1.18 C ATOM 182 CD1 PHE A 11 8.532 -7.978 14.247 1.00 -1.18 C ATOM 183 HD1 PHE A 11 9.281 -7.494 14.848 1.00 -1.18 H ATOM 184 CD2 PHE A 11 7.237 -8.096 12.206 1.00 -1.18 C ATOM 185 HD2 PHE A 11 6.995 -7.723 11.223 1.00 -1.18 H ATOM 186 CE1 PHE A 11 7.857 -9.114 14.759 1.00 -1.18 C ATOM 187 HE1 PHE A 11 8.088 -9.490 15.746 1.00 -1.18 H ATOM 188 CE2 PHE A 11 6.559 -9.241 12.695 1.00 -1.18 C ATOM 189 HE2 PHE A 11 5.812 -9.729 12.087 1.00 -1.18 H ATOM 190 CZ PHE A 11 6.872 -9.750 13.977 1.00 -1.18 C ATOM 191 HZ PHE A 11 6.355 -10.618 14.359 1.00 -1.18 H ATOM 192 N PRO A 12 10.916 -5.062 9.481 1.00 -2.17 N ATOM 193 CA PRO A 12 11.638 -3.828 9.133 1.00 -2.17 C ATOM 194 HA PRO A 12 12.333 -3.559 9.924 1.00 -2.17 H ATOM 195 C PRO A 12 10.735 -2.630 8.841 1.00 -2.17 C ATOM 196 O PRO A 12 11.184 -1.492 8.773 1.00 -2.17 O ATOM 197 CB PRO A 12 12.419 -4.245 7.886 1.00 -2.17 C ATOM 198 1HB PRO A 12 12.615 -3.388 7.241 1.00 -2.17 H ATOM 199 2HB PRO A 12 13.353 -4.730 8.172 1.00 -2.17 H ATOM 200 CG PRO A 12 11.522 -5.221 7.222 1.00 -2.17 C ATOM 201 1HG PRO A 12 10.722 -4.698 6.698 1.00 -2.17 H ATOM 202 2HG PRO A 12 12.079 -5.857 6.534 1.00 -2.17 H ATOM 203 CD PRO A 12 10.962 -6.028 8.364 1.00 -2.17 C ATOM 204 1HD PRO A 12 9.966 -6.400 8.120 1.00 -2.17 H ATOM 205 2HD PRO A 12 11.631 -6.852 8.610 1.00 -2.17 H ATOM 206 N HIS A 13 9.446 -2.889 8.689 1.00-13.79 N ATOM 207 H HIS A 13 9.136 -3.850 8.741 1.00-13.79 H ATOM 208 CA HIS A 13 8.411 -1.881 8.466 1.00-13.79 C ATOM 209 HA HIS A 13 8.791 -1.096 7.813 1.00-13.79 H ATOM 210 C HIS A 13 7.951 -1.237 9.779 1.00-13.79 C ATOM 211 O HIS A 13 6.763 -0.981 9.982 1.00-13.79 O ATOM 212 CB HIS A 13 7.236 -2.593 7.785 1.00-13.79 C ATOM 213 1HB HIS A 13 6.385 -1.915 7.715 1.00-13.79 H ATOM 214 2HB HIS A 13 7.536 -2.858 6.771 1.00-13.79 H ATOM 215 CG HIS A 13 6.818 -3.852 8.482 1.00-13.79 C ATOM 216 ND1 HIS A 13 7.354 -5.085 8.167 1.00-13.79 N ATOM 217 CD2 HIS A 13 5.926 -4.049 9.491 1.00-13.79 C ATOM 218 HD2 HIS A 13 5.364 -3.253 9.963 1.00-13.79 H ATOM 219 CE1 HIS A 13 6.725 -5.983 8.983 1.00-13.79 C ATOM 220 HE1 HIS A 13 6.916 -7.049 8.964 1.00-13.79 H ATOM 221 NE2 HIS A 13 5.851 -5.378 9.825 1.00-13.79 N ATOM 222 HE2 HIS A 13 5.274 -5.811 10.532 1.00-13.79 H ATOM 223 N PHE A 14 8.879 -1.022 10.700 1.00 21.09 N ATOM 224 H PHE A 14 9.860 -1.165 10.478 1.00 21.09 H ATOM 225 CA PHE A 14 8.549 -0.583 12.049 1.00 21.09 C ATOM 226 HA PHE A 14 7.626 -0.004 12.037 1.00 21.09 H ATOM 227 C PHE A 14 9.684 0.276 12.588 1.00 21.09 C ATOM 228 O PHE A 14 10.802 0.212 12.083 1.00 21.09 O ATOM 229 CB PHE A 14 8.370 -1.830 12.919 1.00 21.09 C ATOM 230 1HB PHE A 14 8.044 -2.644 12.272 1.00 21.09 H ATOM 231 2HB PHE A 14 9.328 -2.109 13.356 1.00 21.09 H ATOM 232 CG PHE A 14 7.338 -1.679 13.997 1.00 21.09 C ATOM 233 CD1 PHE A 14 5.972 -1.717 13.664 1.00 21.09 C ATOM 234 HD1 PHE A 14 5.675 -1.797 12.627 1.00 21.09 H ATOM 235 CD2 PHE A 14 7.711 -1.553 15.346 1.00 21.09 C ATOM 236 HD2 PHE A 14 8.757 -1.493 15.611 1.00 21.09 H ATOM 237 CE1 PHE A 14 4.977 -1.660 14.671 1.00 21.09 C ATOM 238 HE1 PHE A 14 3.931 -1.681 14.401 1.00 21.09 H ATOM 239 CE2 PHE A 14 6.725 -1.528 16.366 1.00 21.09 C ATOM 240 HE2 PHE A 14 7.015 -1.457 17.402 1.00 21.09 H ATOM 241 CZ PHE A 14 5.357 -1.571 16.024 1.00 21.09 C ATOM 242 HZ PHE A 14 4.603 -1.523 16.796 1.00 21.09 H ATOM 243 N ASP A 15 9.418 1.054 13.625 1.00 10.31 N ATOM 244 H ASP A 15 8.460 1.126 13.966 1.00 10.31 H ATOM 245 CA ASP A 15 10.473 1.764 14.343 1.00 10.31 C ATOM 246 HA ASP A 15 11.126 2.273 13.635 1.00 10.31 H ATOM 247 C ASP A 15 11.287 0.719 15.103 1.00 10.31 C ATOM 248 O ASP A 15 10.823 0.128 16.081 1.00 10.31 O ATOM 249 CB ASP A 15 9.878 2.793 15.307 1.00 10.31 C ATOM 250 1HB ASP A 15 9.281 3.508 14.741 1.00 10.31 H ATOM 251 2HB ASP A 15 9.221 2.278 16.005 1.00 10.31 H ATOM 252 CG ASP A 15 10.939 3.543 16.105 1.00 10.31 C ATOM 253 OD1 ASP A 15 12.161 3.327 15.913 1.00 10.31 O ATOM 254 OD2 ASP A 15 10.535 4.330 16.992 1.00 10.31 O ATOM 255 N LEU A 16 12.500 0.485 14.626 1.00 11.59 N ATOM 256 H LEU A 16 12.787 0.986 13.797 1.00 11.59 H ATOM 257 CA LEU A 16 13.423 -0.486 15.207 1.00 11.59 C ATOM 258 HA LEU A 16 12.921 -1.017 16.014 1.00 11.59 H ATOM 259 C LEU A 16 14.658 0.183 15.802 1.00 11.59 C ATOM 260 O LEU A 16 15.707 -0.460 15.975 1.00 11.59 O ATOM 261 CB LEU A 16 13.849 -1.498 14.141 1.00 11.59 C ATOM 262 1HB LEU A 16 14.305 -0.941 13.323 1.00 11.59 H ATOM 263 2HB LEU A 16 14.615 -2.129 14.572 1.00 11.59 H ATOM 264 CG LEU A 16 12.805 -2.446 13.542 1.00 11.59 C ATOM 265 HG LEU A 16 12.014 -1.869 13.072 1.00 11.59 H ATOM 266 CD1 LEU A 16 13.532 -3.248 12.475 1.00 11.59 C ATOM 267 1HD1 LEU A 16 12.845 -3.973 12.043 1.00 11.59 H ATOM 268 2HD1 LEU A 16 14.385 -3.777 12.888 1.00 11.59 H ATOM 269 3HD1 LEU A 16 13.860 -2.582 11.676 1.00 11.59 H ATOM 270 CD2 LEU A 16 12.175 -3.383 14.584 1.00 11.59 C ATOM 271 1HD2 LEU A 16 11.497 -4.070 14.072 1.00 11.59 H ATOM 272 2HD2 LEU A 16 11.595 -2.794 15.295 1.00 11.59 H ATOM 273 3HD2 LEU A 16 12.944 -3.949 15.102 1.00 11.59 H ATOM 274 N SER A 17 14.557 1.459 16.141 1.00 -5.00 N ATOM 275 H SER A 17 13.701 1.983 15.958 1.00 -5.00 H ATOM 276 CA SER A 17 15.622 2.091 16.917 1.00 -5.00 C ATOM 277 HA SER A 17 16.585 1.928 16.436 1.00 -5.00 H ATOM 278 C SER A 17 15.593 1.380 18.268 1.00 -5.00 C ATOM 279 O SER A 17 14.530 0.968 18.727 1.00 -5.00 O ATOM 280 CB SER A 17 15.375 3.595 17.080 1.00 -5.00 C ATOM 281 1HB SER A 17 16.169 4.021 17.694 1.00 -5.00 H ATOM 282 2HB SER A 17 15.394 4.068 16.098 1.00 -5.00 H ATOM 283 OG SER A 17 14.124 3.857 17.690 1.00 -5.00 O ATOM 284 HG SER A 17 13.415 3.769 17.022 1.00 -5.00 H ATOM 285 N HIS A 18 16.716 1.164 18.933 1.00 -9.18 N ATOM 286 H HIS A 18 17.605 1.481 18.584 1.00 -9.18 H ATOM 287 CA HIS A 18 16.614 0.562 20.260 1.00 -9.18 C ATOM 288 HA HIS A 18 15.846 -0.205 20.246 1.00 -9.18 H ATOM 289 C HIS A 18 16.137 1.718 21.134 1.00 -9.18 C ATOM 290 O HIS A 18 16.635 2.827 21.007 1.00 -9.18 O ATOM 291 CB HIS A 18 17.912 -0.095 20.723 1.00 -9.18 C ATOM 292 1HB HIS A 18 18.727 0.219 20.071 1.00 -9.18 H ATOM 293 2HB HIS A 18 18.132 0.244 21.736 1.00 -9.18 H ATOM 294 CG HIS A 18 17.833 -1.592 20.735 1.00 -9.18 C ATOM 295 ND1 HIS A 18 18.034 -2.370 19.608 1.00 -9.18 N ATOM 296 CD2 HIS A 18 17.531 -2.442 21.758 1.00 -9.18 C ATOM 297 HD2 HIS A 18 17.314 -2.126 22.769 1.00 -9.18 H ATOM 298 CE1 HIS A 18 17.874 -3.666 20.023 1.00 -9.18 C ATOM 299 HE1 HIS A 18 17.996 -4.528 19.382 1.00 -9.18 H ATOM 300 NE2 HIS A 18 17.542 -3.746 21.332 1.00 -9.18 N ATOM 301 HE2 HIS A 18 17.361 -4.586 21.872 1.00 -9.18 H ATOM 302 N GLY A 19 15.096 1.486 21.924 1.00 -1.14 N ATOM 303 H GLY A 19 14.750 0.548 22.038 1.00 -1.14 H ATOM 304 CA GLY A 19 14.394 2.581 22.585 1.00 -1.14 C ATOM 305 1HA GLY A 19 14.007 2.224 23.538 1.00 -1.14 H ATOM 306 2HA GLY A 19 15.094 3.394 22.783 1.00 -1.14 H ATOM 307 C GLY A 19 13.228 3.134 21.777 1.00 -1.14 C ATOM 308 O GLY A 19 12.630 4.146 22.154 1.00 -1.14 O ATOM 309 N SER A 20 12.886 2.439 20.698 1.00 -4.38 N ATOM 310 H SER A 20 13.443 1.638 20.441 1.00 -4.38 H ATOM 311 CA SER A 20 11.787 2.781 19.787 1.00 -4.38 C ATOM 312 HA SER A 20 12.121 3.605 19.156 1.00 -4.38 H ATOM 313 C SER A 20 10.463 3.210 20.391 1.00 -4.38 C ATOM 314 O SER A 20 9.973 2.650 21.379 1.00 -4.38 O ATOM 315 CB SER A 20 11.520 1.575 18.889 1.00 -4.38 C ATOM 316 1HB SER A 20 12.240 1.578 18.072 1.00 -4.38 H ATOM 317 2HB SER A 20 11.665 0.669 19.474 1.00 -4.38 H ATOM 318 OG SER A 20 10.211 1.550 18.350 1.00 -4.38 O ATOM 319 HG SER A 20 10.272 1.071 17.501 1.00 -4.38 H ATOM 320 N ALA A 21 9.869 4.212 19.758 1.00-17.46 N ATOM 321 H ALA A 21 10.293 4.561 18.891 1.00-17.46 H ATOM 322 CA ALA A 21 8.613 4.793 20.204 1.00-17.46 C ATOM 323 HA ALA A 21 8.705 5.077 21.248 1.00-17.46 H ATOM 324 C ALA A 21 7.490 3.766 20.081 1.00-17.46 C ATOM 325 O ALA A 21 6.634 3.662 20.953 1.00-17.46 O ATOM 326 CB ALA A 21 8.301 6.042 19.372 1.00-17.46 C ATOM 327 1HB ALA A 21 9.089 6.785 19.505 1.00-17.46 H ATOM 328 2HB ALA A 21 7.348 6.468 19.690 1.00-17.46 H ATOM 329 3HB ALA A 21 8.241 5.781 18.312 1.00-17.46 H ATOM 330 N GLN A 22 7.507 2.998 19.001 1.00-18.86 N ATOM 331 H GLN A 22 8.265 3.091 18.334 1.00-18.86 H ATOM 332 CA GLN A 22 6.435 2.037 18.754 1.00-18.86 C ATOM 333 HA GLN A 22 5.485 2.478 19.057 1.00-18.86 H ATOM 334 C GLN A 22 6.628 0.744 19.539 1.00-18.86 C ATOM 335 O GLN A 22 5.666 0.090 19.946 1.00-18.86 O ATOM 336 CB GLN A 22 6.365 1.685 17.271 1.00-18.86 C ATOM 337 1HB GLN A 22 7.315 1.240 16.975 1.00-18.86 H ATOM 338 2HB GLN A 22 5.582 0.939 17.149 1.00-18.86 H ATOM 339 CG GLN A 22 6.052 2.833 16.331 1.00-18.86 C ATOM 340 1HG GLN A 22 5.133 3.319 16.655 1.00-18.86 H ATOM 341 2HG GLN A 22 6.864 3.560 16.355 1.00-18.86 H ATOM 342 CD GLN A 22 5.873 2.342 14.909 1.00-18.86 C ATOM 343 OE1 GLN A 22 6.726 1.672 14.356 1.00-18.86 O ATOM 344 NE2 GLN A 22 4.757 2.659 14.310 1.00-18.86 N ATOM 345 1HE2 GLN A 22 4.618 2.325 13.371 1.00-18.86 H ATOM 346 2HE2 GLN A 22 4.064 3.212 14.780 1.00-18.86 H ATOM 347 N VAL A 23 7.874 0.361 19.779 1.00 3.59 N ATOM 348 H VAL A 23 8.652 0.927 19.451 1.00 3.59 H ATOM 349 CA VAL A 23 8.149 -0.899 20.473 1.00 3.59 C ATOM 350 HA VAL A 23 7.432 -1.618 20.105 1.00 3.59 H ATOM 351 C VAL A 23 7.867 -0.770 21.970 1.00 3.59 C ATOM 352 O VAL A 23 7.685 -1.763 22.660 1.00 3.59 O ATOM 353 CB VAL A 23 9.546 -1.486 20.109 1.00 3.59 C ATOM 354 HB VAL A 23 10.320 -0.784 20.410 1.00 3.59 H ATOM 355 CG1 VAL A 23 9.801 -2.842 20.789 1.00 3.59 C ATOM 356 1HG1 VAL A 23 10.715 -3.285 20.425 1.00 3.59 H ATOM 357 2HG1 VAL A 23 8.974 -3.524 20.589 1.00 3.59 H ATOM 358 3HG1 VAL A 23 9.896 -2.702 21.866 1.00 3.59 H ATOM 359 CG2 VAL A 23 9.621 -1.717 18.589 1.00 3.59 C ATOM 360 1HG2 VAL A 23 10.623 -2.022 18.299 1.00 3.59 H ATOM 361 2HG2 VAL A 23 9.392 -0.805 18.045 1.00 3.59 H ATOM 362 3HG2 VAL A 23 8.908 -2.484 18.284 1.00 3.59 H ATOM 363 N LYS A 24 7.612 0.430 22.465 1.00-15.33 N ATOM 364 H LYS A 24 7.767 1.258 21.902 1.00-15.33 H ATOM 365 CA LYS A 24 7.042 0.556 23.813 1.00-15.33 C ATOM 366 HA LYS A 24 7.700 0.044 24.517 1.00-15.33 H ATOM 367 C LYS A 24 5.680 -0.141 23.941 1.00-15.33 C ATOM 368 O LYS A 24 5.353 -0.635 25.009 1.00-15.33 O ATOM 369 CB LYS A 24 6.985 2.030 24.219 1.00-15.33 C ATOM 370 1HB LYS A 24 6.534 2.598 23.407 1.00-15.33 H ATOM 371 2HB LYS A 24 6.370 2.141 25.113 1.00-15.33 H ATOM 372 CG LYS A 24 8.387 2.561 24.515 1.00-15.33 C ATOM 373 1HG LYS A 24 8.614 2.415 25.571 1.00-15.33 H ATOM 374 2HG LYS A 24 9.103 1.982 23.935 1.00-15.33 H ATOM 375 CD LYS A 24 8.578 4.019 24.147 1.00-15.33 C ATOM 376 1HD LYS A 24 8.234 4.161 23.126 1.00-15.33 H ATOM 377 2HD LYS A 24 8.007 4.663 24.817 1.00-15.33 H ATOM 378 CE LYS A 24 10.068 4.343 24.219 1.00-15.33 C ATOM 379 1HE LYS A 24 10.378 4.400 25.264 1.00-15.33 H ATOM 380 2HE LYS A 24 10.612 3.519 23.749 1.00-15.33 H ATOM 381 NZ LYS A 24 10.454 5.598 23.496 1.00-15.33 N ATOM 382 1HZ LYS A 24 11.465 5.661 23.454 1.00-15.33 H ATOM 383 2HZ LYS A 24 10.073 6.409 23.960 1.00-15.33 H ATOM 384 3HZ LYS A 24 10.115 5.551 22.545 1.00-15.33 H ATOM 385 N GLY A 25 4.948 -0.300 22.842 1.00 -4.18 N ATOM 386 H GLY A 25 5.242 0.130 21.971 1.00 -4.18 H ATOM 387 CA GLY A 25 3.739 -1.118 22.841 1.00 -4.18 C ATOM 388 1HA GLY A 25 3.360 -1.208 23.859 1.00 -4.18 H ATOM 389 2HA GLY A 25 2.981 -0.611 22.246 1.00 -4.18 H ATOM 390 C GLY A 25 3.920 -2.518 22.271 1.00 -4.18 C ATOM 391 O GLY A 25 2.961 -3.287 22.153 1.00 -4.18 O ATOM 392 N HIS A 26 5.134 -2.848 21.847 1.00 6.76 N ATOM 393 H HIS A 26 5.898 -2.199 22.008 1.00 6.76 H ATOM 394 CA HIS A 26 5.435 -4.094 21.128 1.00 6.76 C ATOM 395 HA HIS A 26 4.608 -4.784 21.262 1.00 6.76 H ATOM 396 C HIS A 26 6.685 -4.803 21.673 1.00 6.76 C ATOM 397 O HIS A 26 7.346 -5.547 20.958 1.00 6.76 O ATOM 398 CB HIS A 26 5.603 -3.837 19.614 1.00 6.76 C ATOM 399 1HB HIS A 26 6.288 -3.018 19.443 1.00 6.76 H ATOM 400 2HB HIS A 26 6.030 -4.724 19.160 1.00 6.76 H ATOM 401 CG HIS A 26 4.326 -3.583 18.873 1.00 6.76 C ATOM 402 ND1 HIS A 26 4.003 -4.205 17.692 1.00 6.76 N ATOM 403 HD1 HIS A 26 4.607 -4.827 17.166 1.00 6.76 H ATOM 404 CD2 HIS A 26 3.276 -2.760 19.132 1.00 6.76 C ATOM 405 HD2 HIS A 26 3.215 -2.074 19.964 1.00 6.76 H ATOM 406 CE1 HIS A 26 2.784 -3.808 17.328 1.00 6.76 C ATOM 407 HE1 HIS A 26 2.273 -4.136 16.431 1.00 6.76 H ATOM 408 NE2 HIS A 26 2.281 -2.956 18.198 1.00 6.76 N ATOM 409 N GLY A 27 7.034 -4.566 22.930 1.00 -0.48 N ATOM 410 H GLY A 27 6.493 -3.928 23.497 1.00 -0.48 H ATOM 411 CA GLY A 27 8.251 -5.149 23.482 1.00 -0.48 C ATOM 412 1HA GLY A 27 9.087 -4.896 22.830 1.00 -0.48 H ATOM 413 2HA GLY A 27 8.439 -4.714 24.463 1.00 -0.48 H ATOM 414 C GLY A 27 8.214 -6.658 23.621 1.00 -0.48 C ATOM 415 O GLY A 27 9.173 -7.344 23.294 1.00 -0.48 O ATOM 416 N ALA A 28 7.078 -7.173 24.070 1.00-13.81 N ATOM 417 H ALA A 28 6.322 -6.556 24.305 1.00-13.81 H ATOM 418 CA ALA A 28 6.862 -8.611 24.229 1.00-13.81 C ATOM 419 HA ALA A 28 7.822 -9.101 24.401 1.00-13.81 H ATOM 420 C ALA A 28 6.239 -9.207 22.958 1.00-13.81 C ATOM 421 O ALA A 28 5.284 -9.980 23.026 1.00-13.81 O ATOM 422 CB ALA A 28 5.960 -8.854 25.453 1.00-13.81 C ATOM 423 1HB ALA A 28 6.415 -8.417 26.342 1.00-13.81 H ATOM 424 2HB ALA A 28 5.843 -9.928 25.608 1.00-13.81 H ATOM 425 3HB ALA A 28 4.976 -8.415 25.287 1.00-13.81 H ATOM 426 N LYS A 29 6.726 -8.775 21.804 1.00 1.68 N ATOM 427 H LYS A 29 7.552 -8.179 21.795 1.00 1.68 H ATOM 428 CA LYS A 29 6.228 -9.188 20.490 1.00 1.68 C ATOM 429 HA LYS A 29 5.825 -10.200 20.522 1.00 1.68 H ATOM 430 C LYS A 29 7.499 -9.147 19.662 1.00 1.68 C ATOM 431 O LYS A 29 7.507 -9.403 18.444 1.00 1.68 O ATOM 432 OXT LYS A 29 8.504 -8.719 20.274 1.00 1.68 O ATOM 433 CB LYS A 29 5.204 -8.197 19.918 1.00 1.68 C ATOM 434 1HB LYS A 29 5.699 -7.234 19.821 1.00 1.68 H ATOM 435 2HB LYS A 29 4.921 -8.535 18.922 1.00 1.68 H ATOM 436 CG LYS A 29 3.940 -7.984 20.742 1.00 1.68 C ATOM 437 1HG LYS A 29 3.394 -8.922 20.846 1.00 1.68 H ATOM 438 2HG LYS A 29 4.225 -7.622 21.730 1.00 1.68 H ATOM 439 CD LYS A 29 3.056 -6.935 20.086 1.00 1.68 C ATOM 440 1HD LYS A 29 3.675 -6.080 19.848 1.00 1.68 H ATOM 441 2HD LYS A 29 2.637 -7.328 19.159 1.00 1.68 H ATOM 442 CE LYS A 29 1.941 -6.475 21.017 1.00 1.68 C ATOM 443 1HE LYS A 29 1.193 -7.267 21.097 1.00 1.68 H ATOM 444 2HE LYS A 29 2.364 -6.294 22.008 1.00 1.68 H ATOM 445 NZ LYS A 29 1.304 -5.199 20.533 1.00 1.68 N ATOM 446 1HZ LYS A 29 0.482 -4.991 21.083 1.00 1.68 H ATOM 447 2HZ LYS A 29 1.051 -5.275 19.558 1.00 1.68 H ATOM 448 3HZ LYS A 29 1.959 -4.430 20.644 1.00 1.68 H TER 449 LYS A 29 END
SEQUENCE	FLSFPTTKTYFPHFDLSHGSAQVKGHGAK
HELICITY	41.40	INSTAB. INDEX	7.02	FLEXIBILITY	12.91
a HYD. MOM.	14.34	b HYD. MOM.	8.95	c HYD. MOM	1.28
a MEAN HYD. MOM.	0.49	b MEAN HYD. MOM.	0.31	c MEAN HYD. MOM.	0.04
CHARGE pH5	4.80	CHARGE pH7	2.27	CHARGE pH9	1.65
Δ CHARGE pH5-pH9	3.15	ISOELECTRIC POINT	9.53	BOMAN INDEX	1.06
ΔG	16	CPP	-0,29	MLP	-7,88
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	Mammalia	ORDER	Artiodactyla
FAMILY	Bovidae	GENUS	Bos	SPECIES	Bos taurus
DATE	2001
TITLE PAPER	Antibacterial activity of a pepsin-derived bovine hemoglobin fragment