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ID	768	NAME	S9-P18   Blast NCBI-PROT
LENGTH	18	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\risultati_grimd_abalone\pdb_final\KWKLFKKISKFLHLAKKF.pdb REMARK YASARA Written on: Mon May 19 17:15:01 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 356 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 18 LYS TRP LYS LEU PHE LYS LYS ILE SER LYS PHE LEU HIS SEQRES 2 18 LEU ALA LYS LYS PHE ATOM 1 N LYS 1 -12.460 -5.062 21.872 1.00 -0.35 N ATOM 2 1H LYS 1 -13.232 -5.037 21.222 1.00 -0.35 H ATOM 3 2H LYS 1 -12.089 -6.002 21.913 1.00 -0.35 H ATOM 4 3H LYS 1 -12.781 -4.794 22.793 1.00 0.28 H ATOM 5 CA LYS 1 -11.384 -4.124 21.427 1.00 -0.24 C ATOM 6 HA LYS 1 -10.986 -4.459 20.471 1.00 0.14 H ATOM 7 C LYS 1 -10.279 -4.126 22.459 1.00 0.73 C ATOM 8 O LYS 1 -10.627 -4.189 23.631 1.00 -0.59 O ATOM 9 CB LYS 1 -11.927 -2.695 21.284 1.00 -0.01 C ATOM 10 1HB LYS 1 -12.311 -2.377 22.254 1.00 0.04 H ATOM 11 2HB LYS 1 -11.099 -2.042 21.015 1.00 0.04 H ATOM 12 CG LYS 1 -13.040 -2.529 20.246 1.00 0.02 C ATOM 13 1HG LYS 1 -12.674 -2.857 19.273 1.00 0.01 H ATOM 14 2HG LYS 1 -13.882 -3.160 20.530 1.00 0.01 H ATOM 15 CD LYS 1 -13.552 -1.084 20.130 1.00 -0.05 C ATOM 16 1HD LYS 1 -14.555 -1.114 19.700 1.00 0.06 H ATOM 17 2HD LYS 1 -13.620 -0.647 21.128 1.00 0.06 H ATOM 18 CE LYS 1 -12.672 -0.191 19.244 1.00 -0.01 C ATOM 19 1HE LYS 1 -11.667 -0.157 19.665 1.00 0.11 H ATOM 20 2HE LYS 1 -12.612 -0.629 18.244 1.00 0.11 H ATOM 21 NZ LYS 1 -13.210 1.217 19.138 1.00 -0.38 N ATOM 22 1HZ LYS 1 -13.245 1.646 20.054 1.00 0.17 H ATOM 23 2HZ LYS 1 -12.609 1.773 18.541 1.00 0.17 H ATOM 24 3HZ LYS 1 -14.142 1.207 18.743 1.00 0.17 H ATOM 25 N TRP 2 -9.012 -4.059 22.054 1.00 -0.42 N ATOM 26 H TRP 2 -8.804 -4.021 21.069 1.00 0.27 H ATOM 27 CA TRP 2 -7.857 -4.063 22.968 1.00 -0.03 C ATOM 28 HA TRP 2 -6.999 -4.427 22.400 1.00 0.11 H ATOM 29 C TRP 2 -8.004 -5.045 24.146 1.00 0.60 C ATOM 30 O TRP 2 -8.501 -6.156 23.967 1.00 -0.57 O ATOM 31 CB TRP 2 -7.502 -2.621 23.392 1.00 -0.00 C ATOM 32 1HB TRP 2 -6.725 -2.630 24.155 1.00 0.03 H ATOM 33 2HB TRP 2 -7.071 -2.125 22.522 1.00 0.03 H ATOM 34 CG TRP 2 -8.661 -1.768 23.858 1.00 -0.14 C ATOM 35 CD1 TRP 2 -9.294 -1.797 25.066 1.00 -0.16 C ATOM 36 HD1 TRP 2 -9.028 -2.456 25.877 1.00 0.21 H ATOM 37 CD2 TRP 2 -9.324 -0.730 23.111 1.00 0.12 C ATOM 38 NE1 TRP 2 -10.320 -0.893 25.118 1.00 -0.34 N ATOM 39 HE1 TRP 2 -10.920 -0.743 25.918 1.00 0.34 H ATOM 40 CE2 TRP 2 -10.378 -0.227 23.927 1.00 0.14 C ATOM 41 CE3 TRP 2 -9.123 -0.160 21.836 1.00 -0.24 C ATOM 42 HE3 TRP 2 -8.317 -0.502 21.203 1.00 0.17 H ATOM 43 CZ2 TRP 2 -11.237 0.805 23.499 1.00 -0.26 C ATOM 44 HZ2 TRP 2 -12.026 1.172 24.141 1.00 0.16 H ATOM 45 CZ3 TRP 2 -9.969 0.898 21.411 1.00 -0.20 C ATOM 46 HZ3 TRP 2 -9.798 1.368 20.453 1.00 0.14 H ATOM 47 CH2 TRP 2 -11.021 1.365 22.253 1.00 -0.11 C ATOM 48 HH2 TRP 2 -11.643 2.186 21.925 1.00 0.14 H ATOM 49 N LYS 3 -7.604 -4.658 25.351 1.00 -0.35 N ATOM 50 H LYS 3 -7.226 -3.728 25.459 1.00 0.28 H ATOM 51 CA LYS 3 -7.658 -5.538 26.526 1.00 -0.24 C ATOM 52 HA LYS 3 -7.071 -6.429 26.290 1.00 0.14 H ATOM 53 C LYS 3 -9.042 -6.055 26.918 1.00 0.73 C ATOM 54 O LYS 3 -9.142 -7.025 27.661 1.00 -0.59 O ATOM 55 CB LYS 3 -6.981 -4.847 27.719 1.00 -0.01 C ATOM 56 1HB LYS 3 -6.897 -5.569 28.533 1.00 0.04 H ATOM 57 2HB LYS 3 -5.971 -4.571 27.412 1.00 0.04 H ATOM 58 CG LYS 3 -7.673 -3.586 28.260 1.00 0.02 C ATOM 59 1HG LYS 3 -7.823 -2.880 27.446 1.00 0.01 H ATOM 60 2HG LYS 3 -8.639 -3.853 28.690 1.00 0.01 H ATOM 61 CD LYS 3 -6.794 -2.924 29.327 1.00 -0.05 C ATOM 62 1HD LYS 3 -6.633 -3.624 30.148 1.00 0.06 H ATOM 63 2HD LYS 3 -5.826 -2.699 28.875 1.00 0.06 H ATOM 64 CE LYS 3 -7.372 -1.615 29.882 1.00 -0.01 C ATOM 65 1HE LYS 3 -6.587 -1.117 30.458 1.00 0.11 H ATOM 66 2HE LYS 3 -7.631 -0.963 29.044 1.00 0.11 H ATOM 67 NZ LYS 3 -8.576 -1.785 30.772 1.00 -0.38 N ATOM 68 1HZ LYS 3 -8.332 -2.348 31.577 1.00 0.17 H ATOM 69 2HZ LYS 3 -8.894 -0.879 31.094 1.00 0.17 H ATOM 70 3HZ LYS 3 -9.323 -2.236 30.264 1.00 0.17 H ATOM 71 N LEU 4 -10.112 -5.476 26.388 1.00 -0.42 N ATOM 72 H LEU 4 -10.001 -4.720 25.726 1.00 0.27 H ATOM 73 CA LEU 4 -11.463 -5.959 26.683 1.00 -0.05 C ATOM 74 HA LEU 4 -11.567 -6.088 27.760 1.00 0.09 H ATOM 75 C LEU 4 -11.705 -7.315 26.025 1.00 0.60 C ATOM 76 O LEU 4 -12.578 -8.063 26.458 1.00 -0.57 O ATOM 77 CB LEU 4 -12.529 -4.968 26.199 1.00 -0.11 C ATOM 78 1HB LEU 4 -12.454 -4.900 25.118 1.00 0.05 H ATOM 79 2HB LEU 4 -13.508 -5.388 26.429 1.00 0.05 H ATOM 80 CG LEU 4 -12.479 -3.543 26.772 1.00 0.35 C ATOM 81 HG LEU 4 -11.473 -3.147 26.642 1.00 -0.04 H ATOM 82 CD1 LEU 4 -13.440 -2.642 26.002 1.00 -0.41 C ATOM 83 1HD1 LEU 4 -13.426 -1.636 26.424 1.00 0.10 H ATOM 84 2HD1 LEU 4 -13.135 -2.582 24.958 1.00 0.10 H ATOM 85 3HD1 LEU 4 -14.459 -3.031 26.061 1.00 0.10 H ATOM 86 CD2 LEU 4 -12.817 -3.515 28.263 1.00 -0.41 C ATOM 87 1HD2 LEU 4 -12.793 -2.485 28.625 1.00 0.10 H ATOM 88 2HD2 LEU 4 -13.816 -3.920 28.427 1.00 0.10 H ATOM 89 3HD2 LEU 4 -12.091 -4.098 28.826 1.00 0.10 H ATOM 90 N PHE 5 -10.902 -7.678 25.030 1.00 -0.42 N ATOM 91 H PHE 5 -10.171 -7.050 24.701 1.00 0.27 H ATOM 92 CA PHE 5 -11.017 -9.001 24.415 1.00 -0.00 C ATOM 93 HA PHE 5 -12.040 -9.140 24.071 1.00 0.10 H ATOM 94 C PHE 5 -10.724 -10.136 25.395 1.00 0.60 C ATOM 95 O PHE 5 -11.149 -11.269 25.163 1.00 -0.57 O ATOM 96 CB PHE 5 -10.070 -9.160 23.220 1.00 -0.03 C ATOM 97 1HB PHE 5 -9.063 -8.866 23.516 1.00 0.03 H ATOM 98 2HB PHE 5 -10.046 -10.217 22.951 1.00 0.03 H ATOM 99 CG PHE 5 -10.483 -8.393 21.987 1.00 0.01 C ATOM 100 CD1 PHE 5 -11.773 -8.545 21.440 1.00 -0.13 C ATOM 101 HD1 PHE 5 -12.505 -9.162 21.940 1.00 0.13 H ATOM 102 CD2 PHE 5 -9.547 -7.592 21.308 1.00 -0.13 C ATOM 103 HD2 PHE 5 -8.551 -7.470 21.713 1.00 0.13 H ATOM 104 CE1 PHE 5 -12.121 -7.926 20.211 1.00 -0.17 C ATOM 105 HE1 PHE 5 -13.108 -8.069 19.792 1.00 0.14 H ATOM 106 CE2 PHE 5 -9.873 -6.978 20.072 1.00 -0.17 C ATOM 107 HE2 PHE 5 -9.127 -6.404 19.540 1.00 0.14 H ATOM 108 CZ PHE 5 -11.163 -7.151 19.519 1.00 -0.11 C ATOM 109 HZ PHE 5 -11.410 -6.706 18.564 1.00 0.13 H ATOM 110 N LYS 6 -10.078 -9.868 26.524 1.00 -0.35 N ATOM 111 H LYS 6 -9.745 -8.928 26.712 1.00 0.28 H ATOM 112 CA LYS 6 -9.870 -10.918 27.525 1.00 -0.24 C ATOM 113 HA LYS 6 -9.346 -11.743 27.048 1.00 0.14 H ATOM 114 C LYS 6 -11.188 -11.479 28.047 1.00 0.73 C ATOM 115 O LYS 6 -11.268 -12.674 28.343 1.00 -0.59 O ATOM 116 CB LYS 6 -8.999 -10.431 28.685 1.00 -0.01 C ATOM 117 1HB LYS 6 -9.417 -9.513 29.100 1.00 0.04 H ATOM 118 2HB LYS 6 -9.015 -11.199 29.458 1.00 0.04 H ATOM 119 CG LYS 6 -7.547 -10.202 28.278 1.00 0.02 C ATOM 120 1HG LYS 6 -7.188 -11.095 27.765 1.00 0.01 H ATOM 121 2HG LYS 6 -7.482 -9.353 27.597 1.00 0.01 H ATOM 122 CD LYS 6 -6.658 -9.958 29.493 1.00 -0.05 C ATOM 123 1HD LYS 6 -6.992 -9.060 30.015 1.00 0.06 H ATOM 124 2HD LYS 6 -6.744 -10.814 30.164 1.00 0.06 H ATOM 125 CE LYS 6 -5.196 -9.802 29.073 1.00 -0.01 C ATOM 126 1HE LYS 6 -4.914 -10.665 28.465 1.00 0.11 H ATOM 127 2HE LYS 6 -5.095 -8.903 28.460 1.00 0.11 H ATOM 128 NZ LYS 6 -4.267 -9.717 30.258 1.00 -0.38 N ATOM 129 1HZ LYS 6 -3.311 -9.621 29.940 1.00 0.17 H ATOM 130 2HZ LYS 6 -4.507 -8.921 30.833 1.00 0.17 H ATOM 131 3HZ LYS 6 -4.342 -10.559 30.814 1.00 0.17 H ATOM 132 N LYS 7 -12.249 -10.677 28.047 1.00 -0.35 N ATOM 133 H LYS 7 -12.147 -9.717 27.730 1.00 0.28 H ATOM 134 CA LYS 7 -13.575 -11.150 28.462 1.00 -0.24 C ATOM 135 HA LYS 7 -13.515 -11.497 29.492 1.00 0.14 H ATOM 136 C LYS 7 -14.073 -12.315 27.614 1.00 0.73 C ATOM 137 O LYS 7 -14.720 -13.217 28.134 1.00 -0.59 O ATOM 138 CB LYS 7 -14.622 -10.033 28.368 1.00 -0.01 C ATOM 139 1HB LYS 7 -14.627 -9.637 27.352 1.00 0.04 H ATOM 140 2HB LYS 7 -15.599 -10.477 28.560 1.00 0.04 H ATOM 141 CG LYS 7 -14.431 -8.878 29.348 1.00 0.02 C ATOM 142 1HG LYS 7 -14.375 -9.276 30.361 1.00 0.01 H ATOM 143 2HG LYS 7 -13.508 -8.345 29.117 1.00 0.01 H ATOM 144 CD LYS 7 -15.616 -7.916 29.256 1.00 -0.05 C ATOM 145 1HD LYS 7 -15.690 -7.537 28.236 1.00 0.06 H ATOM 146 2HD LYS 7 -16.528 -8.466 29.493 1.00 0.06 H ATOM 147 CE LYS 7 -15.481 -6.743 30.225 1.00 -0.01 C ATOM 148 1HE LYS 7 -15.344 -7.134 31.236 1.00 0.11 H ATOM 149 2HE LYS 7 -14.598 -6.159 29.956 1.00 0.11 H ATOM 150 NZ LYS 7 -16.703 -5.857 30.199 1.00 -0.38 N ATOM 151 1HZ LYS 7 -16.848 -5.492 29.267 1.00 0.17 H ATOM 152 2HZ LYS 7 -17.519 -6.388 30.472 1.00 0.17 H ATOM 153 3HZ LYS 7 -16.586 -5.085 30.843 1.00 0.17 H ATOM 154 N ILE 8 -13.751 -12.313 26.327 1.00 -0.42 N ATOM 155 H ILE 8 -13.208 -11.549 25.947 1.00 0.27 H ATOM 156 CA ILE 8 -14.173 -13.391 25.431 1.00 -0.06 C ATOM 157 HA ILE 8 -14.977 -13.936 25.920 1.00 0.09 H ATOM 158 C ILE 8 -13.047 -14.391 25.182 1.00 0.60 C ATOM 159 O ILE 8 -13.270 -15.458 24.610 1.00 -0.57 O ATOM 160 CB ILE 8 -14.749 -12.853 24.091 1.00 0.13 C ATOM 161 HB ILE 8 -15.104 -13.710 23.522 1.00 0.02 H ATOM 162 CG1 ILE 8 -13.676 -12.135 23.249 1.00 -0.04 C ATOM 163 1HG1 ILE 8 -13.408 -11.203 23.744 1.00 0.02 H ATOM 164 2HG1 ILE 8 -12.786 -12.760 23.199 1.00 0.02 H ATOM 165 CG2 ILE 8 -15.961 -11.933 24.378 1.00 -0.32 C ATOM 166 1HG2 ILE 8 -15.642 -11.001 24.847 1.00 0.09 H ATOM 167 2HG2 ILE 8 -16.481 -11.698 23.447 1.00 0.09 H ATOM 168 3HG2 ILE 8 -16.670 -12.440 25.036 1.00 0.09 H ATOM 169 CD1 ILE 8 -14.093 -11.810 21.807 1.00 -0.07 C ATOM 170 1HD1 ILE 8 -14.880 -11.053 21.805 1.00 0.02 H ATOM 171 2HD1 ILE 8 -13.234 -11.423 21.260 1.00 0.02 H ATOM 172 3HD1 ILE 8 -14.460 -12.709 21.310 1.00 0.02 H ATOM 173 N SER 9 -11.840 -14.087 25.631 1.00 -0.42 N ATOM 174 H SER 9 -11.679 -13.185 26.065 1.00 0.27 H ATOM 175 CA SER 9 -10.717 -15.017 25.504 1.00 -0.03 C ATOM 176 HA SER 9 -10.733 -15.465 24.515 1.00 0.08 H ATOM 177 C SER 9 -10.838 -16.119 26.551 1.00 0.60 C ATOM 178 O SER 9 -10.482 -17.274 26.316 1.00 -0.57 O ATOM 179 CB SER 9 -9.390 -14.284 25.674 1.00 0.21 C ATOM 180 1HB SER 9 -9.347 -13.835 26.666 1.00 0.04 H ATOM 181 2HB SER 9 -8.570 -14.995 25.568 1.00 0.04 H ATOM 182 OG SER 9 -9.270 -13.276 24.685 1.00 -0.65 O ATOM 183 HG SER 9 -9.949 -12.600 24.824 1.00 0.43 H ATOM 184 N LYS 10 -11.405 -15.767 27.698 1.00 -0.35 N ATOM 185 H LYS 10 -11.616 -14.788 27.872 1.00 0.28 H ATOM 186 CA LYS 10 -11.722 -16.750 28.739 1.00 -0.24 C ATOM 187 HA LYS 10 -10.929 -17.495 28.778 1.00 0.14 H ATOM 188 C LYS 10 -13.041 -17.483 28.491 1.00 0.73 C ATOM 189 O LYS 10 -13.398 -18.358 29.262 1.00 -0.59 O ATOM 190 CB LYS 10 -11.796 -16.062 30.110 1.00 -0.01 C ATOM 191 1HB LYS 10 -11.851 -16.838 30.875 1.00 0.04 H ATOM 192 2HB LYS 10 -10.881 -15.489 30.269 1.00 0.04 H ATOM 193 CG LYS 10 -12.998 -15.137 30.284 1.00 0.02 C ATOM 194 1HG LYS 10 -12.934 -14.328 29.563 1.00 0.01 H ATOM 195 2HG LYS 10 -13.906 -15.704 30.097 1.00 0.01 H ATOM 196 CD LYS 10 -13.080 -14.549 31.681 1.00 -0.05 C ATOM 197 1HD LYS 10 -13.048 -15.357 32.414 1.00 0.06 H ATOM 198 2HD LYS 10 -12.223 -13.892 31.843 1.00 0.06 H ATOM 199 CE LYS 10 -14.374 -13.754 31.866 1.00 -0.01 C ATOM 200 1HE LYS 10 -14.341 -13.256 32.838 1.00 0.11 H ATOM 201 2HE LYS 10 -14.433 -12.992 31.086 1.00 0.11 H ATOM 202 NZ LYS 10 -15.602 -14.630 31.799 1.00 -0.38 N ATOM 203 1HZ LYS 10 -16.432 -14.078 31.968 1.00 0.17 H ATOM 204 2HZ LYS 10 -15.671 -15.053 30.883 1.00 0.17 H ATOM 205 3HZ LYS 10 -15.544 -15.361 32.496 1.00 0.17 H ATOM 206 N PHE 11 -13.791 -17.066 27.480 1.00 -0.42 N ATOM 207 H PHE 11 -13.428 -16.367 26.857 1.00 0.27 H ATOM 208 CA PHE 11 -15.162 -17.547 27.280 1.00 -0.00 C ATOM 209 HA PHE 11 -15.354 -18.361 27.980 1.00 0.10 H ATOM 210 C PHE 11 -15.440 -18.114 25.887 1.00 0.60 C ATOM 211 O PHE 11 -15.393 -19.321 25.702 1.00 -0.57 O ATOM 212 CB PHE 11 -16.129 -16.408 27.624 1.00 -0.03 C ATOM 213 1HB PHE 11 -15.947 -16.104 28.654 1.00 0.03 H ATOM 214 2HB PHE 11 -15.926 -15.556 26.981 1.00 0.03 H ATOM 215 CG PHE 11 -17.580 -16.778 27.486 1.00 0.01 C ATOM 216 CD1 PHE 11 -18.432 -15.999 26.680 1.00 -0.13 C ATOM 217 HD1 PHE 11 -18.052 -15.123 26.176 1.00 0.13 H ATOM 218 CD2 PHE 11 -18.105 -17.901 28.152 1.00 -0.13 C ATOM 219 HD2 PHE 11 -17.471 -18.507 28.784 1.00 0.13 H ATOM 220 CE1 PHE 11 -19.796 -16.345 26.523 1.00 -0.17 C ATOM 221 HE1 PHE 11 -20.442 -15.743 25.899 1.00 0.14 H ATOM 222 CE2 PHE 11 -19.466 -18.262 27.999 1.00 -0.17 C ATOM 223 HE2 PHE 11 -19.855 -19.136 28.502 1.00 0.14 H ATOM 224 CZ PHE 11 -20.312 -17.484 27.179 1.00 -0.11 C ATOM 225 HZ PHE 11 -21.350 -17.758 27.055 1.00 0.13 H ATOM 226 N LEU 12 -15.646 -17.277 24.878 1.00 -0.42 N ATOM 227 H LEU 12 -15.628 -16.283 25.037 1.00 0.27 H ATOM 228 CA LEU 12 -15.948 -17.773 23.530 1.00 -0.05 C ATOM 229 HA LEU 12 -16.793 -18.462 23.589 1.00 0.09 H ATOM 230 C LEU 12 -14.769 -18.540 22.944 1.00 0.60 C ATOM 231 O LEU 12 -14.923 -19.470 22.158 1.00 -0.57 O ATOM 232 CB LEU 12 -16.304 -16.614 22.591 1.00 -0.11 C ATOM 233 1HB LEU 12 -15.437 -15.958 22.526 1.00 0.05 H ATOM 234 2HB LEU 12 -16.471 -17.038 21.600 1.00 0.05 H ATOM 235 CG LEU 12 -17.526 -15.748 22.934 1.00 0.35 C ATOM 236 HG LEU 12 -17.368 -15.297 23.914 1.00 -0.04 H ATOM 237 CD1 LEU 12 -17.660 -14.625 21.909 1.00 -0.41 C ATOM 238 1HD1 LEU 12 -17.858 -15.038 20.917 1.00 0.10 H ATOM 239 2HD1 LEU 12 -18.492 -13.974 22.187 1.00 0.10 H ATOM 240 3HD1 LEU 12 -16.752 -14.028 21.876 1.00 0.10 H ATOM 241 CD2 LEU 12 -18.822 -16.553 22.974 1.00 -0.41 C ATOM 242 1HD2 LEU 12 -19.664 -15.890 23.176 1.00 0.10 H ATOM 243 2HD2 LEU 12 -18.990 -17.056 22.020 1.00 0.10 H ATOM 244 3HD2 LEU 12 -18.782 -17.298 23.770 1.00 0.10 H ATOM 245 N HIS 13 -13.571 -18.160 23.362 1.00 -0.35 N ATOM 246 H HIS 13 -13.501 -17.377 23.999 1.00 0.28 H ATOM 247 CA HIS 13 -12.358 -18.852 22.939 1.00 -0.14 C ATOM 248 HA HIS 13 -12.547 -19.345 21.987 1.00 0.12 H ATOM 249 C HIS 13 -11.920 -19.914 23.942 1.00 0.73 C ATOM 250 O HIS 13 -10.809 -20.400 23.830 1.00 -0.59 O ATOM 251 CB HIS 13 -11.205 -17.862 22.741 1.00 -0.04 C ATOM 252 1HB HIS 13 -11.018 -17.355 23.682 1.00 0.08 H ATOM 253 2HB HIS 13 -10.303 -18.416 22.473 1.00 0.08 H ATOM 254 CG HIS 13 -11.453 -16.848 21.668 1.00 -0.00 C ATOM 255 ND1 HIS 13 -12.150 -15.663 21.870 1.00 -0.15 N ATOM 256 HD1 HIS 13 -12.573 -15.381 22.751 1.00 0.14 H ATOM 257 CD2 HIS 13 -11.081 -16.815 20.363 1.00 -0.11 C ATOM 258 HD2 HIS 13 -10.507 -17.581 19.851 1.00 0.23 H ATOM 259 CE1 HIS 13 -12.173 -14.972 20.738 1.00 -0.02 C ATOM 260 HE1 HIS 13 -12.641 -14.003 20.598 1.00 0.27 H ATOM 261 NE2 HIS 13 -11.533 -15.649 19.813 1.00 -0.17 N ATOM 262 HE2 HIS 13 -11.386 -15.353 18.851 1.00 0.14 H ATOM 263 N LEU 14 -12.718 -20.246 24.950 1.00 -0.42 N ATOM 264 H LEU 14 -13.659 -19.868 25.024 1.00 0.27 H ATOM 265 CA LEU 14 -12.235 -21.161 25.987 1.00 -0.05 C ATOM 266 HA LEU 14 -11.284 -20.782 26.344 1.00 0.09 H ATOM 267 C LEU 14 -11.997 -22.550 25.408 1.00 0.60 C ATOM 268 O LEU 14 -10.897 -23.081 25.505 1.00 -0.57 O ATOM 269 CB LEU 14 -13.212 -21.234 27.164 1.00 -0.11 C ATOM 270 1HB LEU 14 -13.406 -20.219 27.495 1.00 0.05 H ATOM 271 2HB LEU 14 -14.154 -21.645 26.801 1.00 0.05 H ATOM 272 CG LEU 14 -12.785 -22.056 28.391 1.00 0.35 C ATOM 273 HG LEU 14 -12.631 -23.088 28.081 1.00 -0.04 H ATOM 274 CD1 LEU 14 -11.486 -21.541 29.023 1.00 -0.41 C ATOM 275 1HD1 LEU 14 -11.581 -20.480 29.259 1.00 0.10 H ATOM 276 2HD1 LEU 14 -11.290 -22.093 29.944 1.00 0.10 H ATOM 277 3HD1 LEU 14 -10.657 -21.715 28.341 1.00 0.10 H ATOM 278 CD2 LEU 14 -13.902 -22.031 29.426 1.00 -0.41 C ATOM 279 1HD2 LEU 14 -14.820 -22.428 28.991 1.00 0.10 H ATOM 280 2HD2 LEU 14 -13.629 -22.655 30.278 1.00 0.10 H ATOM 281 3HD2 LEU 14 -14.079 -21.010 29.771 1.00 0.10 H ATOM 282 N ALA 15 -13.009 -23.068 24.726 1.00 -0.42 N ATOM 283 H ALA 15 -13.877 -22.562 24.690 1.00 0.27 H ATOM 284 CA ALA 15 -12.935 -24.344 24.014 1.00 0.03 C ATOM 285 HA ALA 15 -12.235 -25.008 24.530 1.00 0.08 H ATOM 286 C ALA 15 -12.412 -24.098 22.591 1.00 0.60 C ATOM 287 O ALA 15 -13.049 -24.458 21.593 1.00 -0.57 O ATOM 288 CB ALA 15 -14.322 -25.003 23.996 1.00 -0.18 C ATOM 289 1HB ALA 15 -14.659 -25.177 25.019 1.00 0.06 H ATOM 290 2HB ALA 15 -15.036 -24.369 23.474 1.00 0.06 H ATOM 291 3HB ALA 15 -14.252 -25.966 23.484 1.00 0.06 H ATOM 292 N LYS 16 -11.326 -23.342 22.508 1.00 -0.35 N ATOM 293 H LYS 16 -10.892 -23.049 23.379 1.00 0.28 H ATOM 294 CA LYS 16 -10.695 -22.957 21.243 1.00 -0.24 C ATOM 295 HA LYS 16 -10.786 -23.789 20.544 1.00 0.14 H ATOM 296 C LYS 16 -9.208 -22.737 21.504 1.00 0.73 C ATOM 297 O LYS 16 -8.564 -21.863 20.928 1.00 -0.59 O ATOM 298 CB LYS 16 -11.413 -21.725 20.677 1.00 -0.01 C ATOM 299 1HB LYS 16 -12.222 -21.483 21.361 1.00 0.04 H ATOM 300 2HB LYS 16 -10.746 -20.865 20.645 1.00 0.04 H ATOM 301 CG LYS 16 -11.992 -21.963 19.283 1.00 0.02 C ATOM 302 1HG LYS 16 -11.267 -21.619 18.546 1.00 0.01 H ATOM 303 2HG LYS 16 -12.138 -23.032 19.134 1.00 0.01 H ATOM 304 CD LYS 16 -13.329 -21.249 19.039 1.00 -0.05 C ATOM 305 1HD LYS 16 -13.216 -20.192 19.282 1.00 0.06 H ATOM 306 2HD LYS 16 -13.566 -21.330 17.977 1.00 0.06 H ATOM 307 CE LYS 16 -14.510 -21.825 19.845 1.00 -0.01 C ATOM 308 1HE LYS 16 -14.332 -21.651 20.909 1.00 0.11 H ATOM 309 2HE LYS 16 -15.415 -21.279 19.570 1.00 0.11 H ATOM 310 NZ LYS 16 -14.740 -23.299 19.635 1.00 -0.38 N ATOM 311 1HZ LYS 16 -14.778 -23.514 18.650 1.00 0.17 H ATOM 312 2HZ LYS 16 -13.979 -23.824 20.066 1.00 0.17 H ATOM 313 3HZ LYS 16 -15.602 -23.581 20.079 1.00 0.17 H ATOM 314 N LYS 17 -8.707 -23.535 22.437 1.00 -0.35 N ATOM 315 H LYS 17 -9.320 -24.280 22.783 1.00 0.28 H ATOM 316 CA LYS 17 -7.320 -23.490 22.939 1.00 -0.24 C ATOM 317 HA LYS 17 -6.635 -23.152 22.159 1.00 0.14 H ATOM 318 C LYS 17 -6.969 -24.913 23.339 1.00 0.73 C ATOM 319 O LYS 17 -5.871 -25.405 23.121 1.00 -0.59 O ATOM 320 CB LYS 17 -7.200 -22.609 24.188 1.00 -0.01 C ATOM 321 1HB LYS 17 -7.942 -22.957 24.905 1.00 0.04 H ATOM 322 2HB LYS 17 -6.210 -22.756 24.621 1.00 0.04 H ATOM 323 CG LYS 17 -7.398 -21.117 23.930 1.00 0.02 C ATOM 324 1HG LYS 17 -6.641 -20.780 23.221 1.00 0.01 H ATOM 325 2HG LYS 17 -8.373 -20.968 23.478 1.00 0.01 H ATOM 326 CD LYS 17 -7.323 -20.246 25.182 1.00 -0.05 C ATOM 327 1HD LYS 17 -6.349 -20.367 25.657 1.00 0.06 H ATOM 328 2HD LYS 17 -7.440 -19.207 24.873 1.00 0.06 H ATOM 329 CE LYS 17 -8.426 -20.596 26.177 1.00 -0.01 C ATOM 330 1HE LYS 17 -9.354 -20.726 25.624 1.00 0.11 H ATOM 331 2HE LYS 17 -8.189 -21.548 26.656 1.00 0.11 H ATOM 332 NZ LYS 17 -8.635 -19.540 27.217 1.00 -0.38 N ATOM 333 1HZ LYS 17 -7.758 -19.324 27.669 1.00 0.17 H ATOM 334 2HZ LYS 17 -9.009 -18.704 26.779 1.00 0.17 H ATOM 335 3HZ LYS 17 -9.298 -19.869 27.904 1.00 0.17 H ATOM 336 N PHE 18 -7.990 -25.539 23.895 1.00 -0.42 N ATOM 337 H PHE 18 -8.824 -25.021 24.126 1.00 0.27 H ATOM 338 CA PHE 18 -8.152 -26.971 24.064 1.00 -0.00 C ATOM 339 HA PHE 18 -7.506 -27.542 23.397 1.00 0.10 H ATOM 340 C PHE 18 -9.607 -27.057 23.612 1.00 0.60 C ATOM 341 O PHE 18 -10.219 -28.133 23.535 1.00 -0.57 O ATOM 342 OXT PHE 18 -10.119 -25.933 23.355 1.00 -0.57 O ATOM 343 CB PHE 18 -7.974 -27.379 25.531 1.00 -0.03 C ATOM 344 1HB PHE 18 -8.247 -28.429 25.634 1.00 0.03 H ATOM 345 2HB PHE 18 -6.924 -27.267 25.797 1.00 0.03 H ATOM 346 CG PHE 18 -8.801 -26.560 26.492 1.00 0.01 C ATOM 347 CD1 PHE 18 -8.232 -25.462 27.166 1.00 -0.13 C ATOM 348 HD1 PHE 18 -7.199 -25.203 26.982 1.00 0.13 H ATOM 349 CD2 PHE 18 -10.149 -26.885 26.737 1.00 -0.13 C ATOM 350 HD2 PHE 18 -10.600 -27.719 26.216 1.00 0.13 H ATOM 351 CE1 PHE 18 -8.994 -24.698 28.088 1.00 -0.17 C ATOM 352 HE1 PHE 18 -8.542 -23.868 28.608 1.00 0.14 H ATOM 353 CE2 PHE 18 -10.927 -26.127 27.647 1.00 -0.17 C ATOM 354 HE2 PHE 18 -11.961 -26.386 27.818 1.00 0.14 H ATOM 355 CZ PHE 18 -10.345 -25.038 28.330 1.00 -0.11 C ATOM 356 HZ PHE 18 -10.928 -24.475 29.041 1.00 0.13 H TER 357 PHE 18 END
SEQUENCE	KWKLFKKISKFLHLAKKF
HELICITY	94.40	INSTAB. INDEX	-8.34	FLEXIBILITY	7.48
a HYD. MOM.	56.56	b HYD. MOM.	28.49	c HYD. MOM	5.46
a MEAN HYD. MOM.	3.14	b MEAN HYD. MOM.	1.58	c MEAN HYD. MOM.	0.30
CHARGE pH5	7.91	CHARGE pH7	7.09	CHARGE pH9	6.62
Δ CHARGE pH5-pH9	1.29	ISOELECTRIC POINT	10.78	BOMAN INDEX	0.79
ΔG	11	CPP	0,21	MLP	-15,97
MOLECULAR VOLUME		POLARITY
MIC E. coli	25	MIC P. aeruginosa	6	MIC S. typhimurium
MIC S. aureus	6	MIC M. luteus		MIC B. subtilis	2
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	2001
TITLE PAPER	Antimicrobial, antitumor and hemolytic activities of ?-helical antibiotic peptide, P18 and its analogs