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ID	490	NAME	A2   Blast NCBI-PROT
LENGTH	15	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\AKRLKKLAKKIWKWK.pdb REMARK YASARA Written on: Wed May 14 18:58:57 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 306 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 15 ALA LYS ARG LEU LYS LYS LEU ALA LYS LYS ILE TRP LYS SEQRES 2 15 TRP LYS ATOM 1 N ALA 1 -5.741 -9.515 32.857 1.00 -0.42 N ATOM 2 1H ALA 1 -4.760 -9.290 32.946 1.00 -0.42 H ATOM 3 2H ALA 1 -6.005 -10.162 33.587 1.00 -0.42 H ATOM 4 3H ALA 1 -5.907 -9.947 31.959 1.00 0.27 H ATOM 5 CA ALA 1 -6.559 -8.265 32.970 1.00 0.03 C ATOM 6 HA ALA 1 -6.399 -7.831 33.957 1.00 0.08 H ATOM 7 C ALA 1 -8.038 -8.605 32.817 1.00 0.60 C ATOM 8 O ALA 1 -8.348 -9.568 32.131 1.00 -0.57 O ATOM 9 CB ALA 1 -6.128 -7.234 31.895 1.00 -0.18 C ATOM 10 1HB ALA 1 -5.069 -6.990 32.016 1.00 0.06 H ATOM 11 2HB ALA 1 -6.288 -7.642 30.895 1.00 0.06 H ATOM 12 3HB ALA 1 -6.709 -6.316 32.005 1.00 0.06 H ATOM 13 N LYS 2 -8.950 -7.839 33.413 1.00 -0.35 N ATOM 14 H LYS 2 -8.663 -7.008 33.916 1.00 0.28 H ATOM 15 CA LYS 2 -10.387 -8.180 33.403 1.00 -0.24 C ATOM 16 HA LYS 2 -10.521 -9.142 33.900 1.00 0.14 H ATOM 17 C LYS 2 -11.011 -8.332 32.014 1.00 0.73 C ATOM 18 O LYS 2 -11.834 -9.211 31.797 1.00 -0.59 O ATOM 19 CB LYS 2 -11.189 -7.106 34.155 1.00 -0.01 C ATOM 20 1HB LYS 2 -10.944 -6.139 33.713 1.00 0.04 H ATOM 21 2HB LYS 2 -12.252 -7.283 33.981 1.00 0.04 H ATOM 22 CG LYS 2 -10.972 -6.997 35.672 1.00 0.02 C ATOM 23 1HG LYS 2 -9.905 -6.961 35.892 1.00 0.01 H ATOM 24 2HG LYS 2 -11.422 -6.061 36.003 1.00 0.01 H ATOM 25 CD LYS 2 -11.625 -8.133 36.470 1.00 -0.05 C ATOM 26 1HD LYS 2 -12.672 -8.214 36.172 1.00 0.06 H ATOM 27 2HD LYS 2 -11.118 -9.074 36.256 1.00 0.06 H ATOM 28 CE LYS 2 -11.561 -7.839 37.976 1.00 -0.01 C ATOM 29 1HE LYS 2 -10.514 -7.756 38.276 1.00 0.11 H ATOM 30 2HE LYS 2 -12.044 -6.875 38.161 1.00 0.11 H ATOM 31 NZ LYS 2 -12.239 -8.887 38.825 1.00 -0.38 N ATOM 32 1HZ LYS 2 -13.216 -8.956 38.573 1.00 0.17 H ATOM 33 2HZ LYS 2 -11.796 -9.785 38.692 1.00 0.17 H ATOM 34 3HZ LYS 2 -12.173 -8.632 39.803 1.00 0.17 H ATOM 35 N ARG 3 -10.609 -7.497 31.065 1.00 -0.35 N ATOM 36 H ARG 3 -9.925 -6.793 31.290 1.00 0.28 H ATOM 37 CA ARG 3 -11.169 -7.541 29.706 1.00 -0.26 C ATOM 38 HA ARG 3 -12.257 -7.517 29.782 1.00 0.16 H ATOM 39 C ARG 3 -10.793 -8.807 28.936 1.00 0.73 C ATOM 40 O ARG 3 -11.476 -9.194 27.991 1.00 -0.59 O ATOM 41 CB ARG 3 -10.695 -6.297 28.933 1.00 -0.00 C ATOM 42 1HB ARG 3 -10.808 -5.433 29.589 1.00 0.03 H ATOM 43 2HB ARG 3 -9.637 -6.412 28.701 1.00 0.03 H ATOM 44 CG ARG 3 -11.462 -5.998 27.636 1.00 0.04 C ATOM 45 1HG ARG 3 -11.325 -6.814 26.929 1.00 0.03 H ATOM 46 2HG ARG 3 -12.523 -5.918 27.875 1.00 0.03 H ATOM 47 CD ARG 3 -11.015 -4.689 26.977 1.00 0.05 C ATOM 48 1HD ARG 3 -11.729 -4.443 26.189 1.00 0.07 H ATOM 49 2HD ARG 3 -11.038 -3.893 27.723 1.00 0.07 H ATOM 50 NE ARG 3 -9.671 -4.762 26.379 1.00 -0.53 N ATOM 51 HE ARG 3 -9.211 -5.656 26.410 1.00 0.35 H ATOM 52 CZ ARG 3 -9.021 -3.768 25.782 1.00 0.81 C ATOM 53 NH1 ARG 3 -7.852 -4.007 25.254 1.00 -0.86 N ATOM 54 1HH1 ARG 3 -7.457 -4.931 25.269 1.00 0.32 H ATOM 55 2HH1 ARG 3 -7.340 -3.260 24.812 1.00 0.32 H ATOM 56 NH2 ARG 3 -9.485 -2.547 25.692 1.00 -0.86 N ATOM 57 1HH2 ARG 3 -10.375 -2.316 26.097 1.00 0.32 H ATOM 58 2HH2 ARG 3 -8.951 -1.834 25.224 1.00 0.32 H ATOM 59 N LEU 4 -9.679 -9.425 29.304 1.00 -0.42 N ATOM 60 H LEU 4 -9.284 -9.252 30.217 1.00 0.27 H ATOM 61 CA LEU 4 -8.959 -10.301 28.382 1.00 -0.05 C ATOM 62 HA LEU 4 -8.707 -9.710 27.502 1.00 0.09 H ATOM 63 C LEU 4 -9.747 -11.508 27.884 1.00 0.60 C ATOM 64 O LEU 4 -9.720 -11.792 26.698 1.00 -0.57 O ATOM 65 CB LEU 4 -7.654 -10.775 29.035 1.00 -0.11 C ATOM 66 1HB LEU 4 -7.124 -9.896 29.400 1.00 0.05 H ATOM 67 2HB LEU 4 -7.916 -11.389 29.896 1.00 0.05 H ATOM 68 CG LEU 4 -6.679 -11.587 28.164 1.00 0.35 C ATOM 69 HG LEU 4 -7.187 -12.483 27.813 1.00 -0.04 H ATOM 70 CD1 LEU 4 -6.179 -10.805 26.947 1.00 -0.41 C ATOM 71 1HD1 LEU 4 -7.007 -10.599 26.269 1.00 0.10 H ATOM 72 2HD1 LEU 4 -5.707 -9.872 27.252 1.00 0.10 H ATOM 73 3HD1 LEU 4 -5.450 -11.409 26.402 1.00 0.10 H ATOM 74 CD2 LEU 4 -5.488 -12.018 29.017 1.00 -0.41 C ATOM 75 1HD2 LEU 4 -5.831 -12.606 29.868 1.00 0.10 H ATOM 76 2HD2 LEU 4 -4.828 -12.650 28.417 1.00 0.10 H ATOM 77 3HD2 LEU 4 -4.925 -11.152 29.362 1.00 0.10 H ATOM 78 N LYS 5 -10.480 -12.205 28.743 1.00 -0.35 N ATOM 79 H LYS 5 -10.530 -11.932 29.712 1.00 0.28 H ATOM 80 CA LYS 5 -11.163 -13.417 28.277 1.00 -0.24 C ATOM 81 HA LYS 5 -10.429 -13.996 27.712 1.00 0.14 H ATOM 82 C LYS 5 -12.307 -13.153 27.301 1.00 0.73 C ATOM 83 O LYS 5 -12.573 -13.974 26.433 1.00 -0.59 O ATOM 84 CB LYS 5 -11.617 -14.311 29.440 1.00 -0.01 C ATOM 85 1HB LYS 5 -11.931 -15.265 29.014 1.00 0.04 H ATOM 86 2HB LYS 5 -10.754 -14.500 30.079 1.00 0.04 H ATOM 87 CG LYS 5 -12.759 -13.791 30.313 1.00 0.02 C ATOM 88 1HG LYS 5 -12.464 -12.857 30.791 1.00 0.01 H ATOM 89 2HG LYS 5 -13.640 -13.621 29.695 1.00 0.01 H ATOM 90 CD LYS 5 -13.096 -14.832 31.381 1.00 -0.05 C ATOM 91 1HD LYS 5 -13.303 -15.783 30.887 1.00 0.06 H ATOM 92 2HD LYS 5 -12.235 -14.960 32.039 1.00 0.06 H ATOM 93 CE LYS 5 -14.313 -14.433 32.212 1.00 -0.01 C ATOM 94 1HE LYS 5 -14.108 -13.486 32.715 1.00 0.11 H ATOM 95 2HE LYS 5 -15.168 -14.296 31.545 1.00 0.11 H ATOM 96 NZ LYS 5 -14.648 -15.487 33.237 1.00 -0.38 N ATOM 97 1HZ LYS 5 -15.459 -15.205 33.772 1.00 0.17 H ATOM 98 2HZ LYS 5 -14.849 -16.365 32.777 1.00 0.17 H ATOM 99 3HZ LYS 5 -13.867 -15.618 33.866 1.00 0.17 H ATOM 100 N LYS 6 -12.970 -12.006 27.395 1.00 -0.35 N ATOM 101 H LYS 6 -12.724 -11.337 28.108 1.00 0.28 H ATOM 102 CA LYS 6 -14.033 -11.699 26.431 1.00 -0.24 C ATOM 103 HA LYS 6 -14.486 -12.641 26.120 1.00 0.14 H ATOM 104 C LYS 6 -13.439 -11.082 25.173 1.00 0.73 C ATOM 105 O LYS 6 -13.999 -11.224 24.093 1.00 -0.59 O ATOM 106 CB LYS 6 -15.163 -10.852 27.035 1.00 -0.01 C ATOM 107 1HB LYS 6 -15.956 -10.789 26.289 1.00 0.04 H ATOM 108 2HB LYS 6 -15.560 -11.392 27.894 1.00 0.04 H ATOM 109 CG LYS 6 -14.830 -9.432 27.487 1.00 0.02 C ATOM 110 1HG LYS 6 -14.079 -9.466 28.275 1.00 0.01 H ATOM 111 2HG LYS 6 -14.451 -8.856 26.643 1.00 0.01 H ATOM 112 CD LYS 6 -16.100 -8.772 28.027 1.00 -0.05 C ATOM 113 1HD LYS 6 -16.866 -8.801 27.250 1.00 0.06 H ATOM 114 2HD LYS 6 -16.454 -9.341 28.888 1.00 0.06 H ATOM 115 CE LYS 6 -15.880 -7.321 28.447 1.00 -0.01 C ATOM 116 1HE LYS 6 -15.115 -7.288 29.226 1.00 0.11 H ATOM 117 2HE LYS 6 -15.528 -6.750 27.585 1.00 0.11 H ATOM 118 NZ LYS 6 -17.159 -6.707 28.969 1.00 -0.38 N ATOM 119 1HZ LYS 6 -17.872 -6.727 28.251 1.00 0.17 H ATOM 120 2HZ LYS 6 -17.490 -7.225 29.772 1.00 0.17 H ATOM 121 3HZ LYS 6 -16.998 -5.746 29.243 1.00 0.17 H ATOM 122 N LEU 7 -12.277 -10.456 25.296 1.00 -0.42 N ATOM 123 H LEU 7 -11.870 -10.324 26.213 1.00 0.27 H ATOM 124 CA LEU 7 -11.550 -9.966 24.128 1.00 -0.05 C ATOM 125 HA LEU 7 -12.223 -9.372 23.512 1.00 0.09 H ATOM 126 C LEU 7 -11.049 -11.148 23.302 1.00 0.60 C ATOM 127 O LEU 7 -11.166 -11.149 22.081 1.00 -0.57 O ATOM 128 CB LEU 7 -10.363 -9.101 24.570 1.00 -0.11 C ATOM 129 1HB LEU 7 -10.746 -8.301 25.200 1.00 0.05 H ATOM 130 2HB LEU 7 -9.708 -9.719 25.179 1.00 0.05 H ATOM 131 CG LEU 7 -9.501 -8.473 23.463 1.00 0.35 C ATOM 132 HG LEU 7 -9.105 -9.268 22.833 1.00 -0.04 H ATOM 133 CD1 LEU 7 -10.288 -7.502 22.580 1.00 -0.41 C ATOM 134 1HD1 LEU 7 -10.754 -6.725 23.183 1.00 0.10 H ATOM 135 2HD1 LEU 7 -9.615 -7.043 21.854 1.00 0.10 H ATOM 136 3HD1 LEU 7 -11.052 -8.049 22.028 1.00 0.10 H ATOM 137 CD2 LEU 7 -8.322 -7.744 24.102 1.00 -0.41 C ATOM 138 1HD2 LEU 7 -7.733 -8.449 24.692 1.00 0.10 H ATOM 139 2HD2 LEU 7 -7.679 -7.341 23.316 1.00 0.10 H ATOM 140 3HD2 LEU 7 -8.676 -6.936 24.732 1.00 0.10 H ATOM 141 N ALA 8 -10.557 -12.177 23.978 1.00 -0.42 N ATOM 142 H ALA 8 -10.490 -12.120 24.990 1.00 0.27 H ATOM 143 CA ALA 8 -10.035 -13.382 23.336 1.00 0.03 C ATOM 144 HA ALA 8 -9.208 -13.095 22.686 1.00 0.08 H ATOM 145 C ALA 8 -11.069 -14.100 22.465 1.00 0.60 C ATOM 146 O ALA 8 -10.715 -14.775 21.509 1.00 -0.57 O ATOM 147 CB ALA 8 -9.491 -14.332 24.410 1.00 -0.18 C ATOM 148 1HB ALA 8 -9.053 -15.208 23.929 1.00 0.06 H ATOM 149 2HB ALA 8 -8.722 -13.827 24.995 1.00 0.06 H ATOM 150 3HB ALA 8 -10.298 -14.655 25.070 1.00 0.06 H ATOM 151 N LYS 9 -12.353 -13.920 22.743 1.00 -0.35 N ATOM 152 H LYS 9 -12.616 -13.378 23.554 1.00 0.28 H ATOM 153 CA LYS 9 -13.388 -14.490 21.877 1.00 -0.24 C ATOM 154 HA LYS 9 -13.199 -15.557 21.759 1.00 0.14 H ATOM 155 C LYS 9 -13.402 -13.875 20.480 1.00 0.73 C ATOM 156 O LYS 9 -13.835 -14.521 19.534 1.00 -0.59 O ATOM 157 CB LYS 9 -14.780 -14.302 22.482 1.00 -0.01 C ATOM 158 1HB LYS 9 -14.965 -13.238 22.625 1.00 0.04 H ATOM 159 2HB LYS 9 -15.501 -14.677 21.757 1.00 0.04 H ATOM 160 CG LYS 9 -14.986 -15.026 23.811 1.00 0.02 C ATOM 161 1HG LYS 9 -14.689 -16.069 23.701 1.00 0.01 H ATOM 162 2HG LYS 9 -14.351 -14.562 24.564 1.00 0.01 H ATOM 163 CD LYS 9 -16.437 -14.973 24.296 1.00 -0.05 C ATOM 164 1HD LYS 9 -16.462 -15.293 25.338 1.00 0.06 H ATOM 165 2HD LYS 9 -16.795 -13.944 24.236 1.00 0.06 H ATOM 166 CE LYS 9 -17.358 -15.891 23.477 1.00 -0.01 C ATOM 167 1HE LYS 9 -17.326 -15.587 22.428 1.00 0.11 H ATOM 168 2HE LYS 9 -16.982 -16.915 23.546 1.00 0.11 H ATOM 169 NZ LYS 9 -18.787 -15.857 23.950 1.00 -0.38 N ATOM 170 1HZ LYS 9 -19.154 -14.918 23.872 1.00 0.17 H ATOM 171 2HZ LYS 9 -19.349 -16.477 23.382 1.00 0.17 H ATOM 172 3HZ LYS 9 -18.839 -16.157 24.914 1.00 0.17 H ATOM 173 N LYS 10 -12.968 -12.627 20.348 1.00 -0.35 N ATOM 174 H LYS 10 -12.556 -12.158 21.151 1.00 0.28 H ATOM 175 CA LYS 10 -13.105 -11.881 19.091 1.00 -0.24 C ATOM 176 HA LYS 10 -13.598 -12.530 18.367 1.00 0.14 H ATOM 177 C LYS 10 -11.798 -11.453 18.436 1.00 0.73 C ATOM 178 O LYS 10 -11.818 -10.720 17.450 1.00 -0.59 O ATOM 179 CB LYS 10 -14.028 -10.672 19.293 1.00 -0.01 C ATOM 180 1HB LYS 10 -14.223 -10.246 18.310 1.00 0.04 H ATOM 181 2HB LYS 10 -14.975 -11.030 19.697 1.00 0.04 H ATOM 182 CG LYS 10 -13.489 -9.574 20.221 1.00 0.02 C ATOM 183 1HG LYS 10 -13.332 -9.999 21.210 1.00 0.01 H ATOM 184 2HG LYS 10 -12.535 -9.210 19.840 1.00 0.01 H ATOM 185 CD LYS 10 -14.448 -8.388 20.357 1.00 -0.05 C ATOM 186 1HD LYS 10 -15.427 -8.759 20.664 1.00 0.06 H ATOM 187 2HD LYS 10 -14.066 -7.726 21.134 1.00 0.06 H ATOM 188 CE LYS 10 -14.590 -7.588 19.054 1.00 -0.01 C ATOM 189 1HE LYS 10 -13.597 -7.267 18.730 1.00 0.11 H ATOM 190 2HE LYS 10 -15.010 -8.234 18.281 1.00 0.11 H ATOM 191 NZ LYS 10 -15.476 -6.381 19.213 1.00 -0.38 N ATOM 192 1HZ LYS 10 -15.539 -5.884 18.334 1.00 0.17 H ATOM 193 2HZ LYS 10 -16.404 -6.670 19.492 1.00 0.17 H ATOM 194 3HZ LYS 10 -15.095 -5.761 19.914 1.00 0.17 H ATOM 195 N ILE 11 -10.663 -11.940 18.918 1.00 -0.42 N ATOM 196 H ILE 11 -10.665 -12.506 19.755 1.00 0.27 H ATOM 197 CA ILE 11 -9.388 -11.678 18.234 1.00 -0.06 C ATOM 198 HA ILE 11 -9.331 -10.613 18.011 1.00 0.09 H ATOM 199 C ILE 11 -9.328 -12.424 16.900 1.00 0.60 C ATOM 200 O ILE 11 -8.527 -12.107 16.027 1.00 -0.57 O ATOM 201 CB ILE 11 -8.144 -12.048 19.101 1.00 0.13 C ATOM 202 HB ILE 11 -7.253 -11.785 18.530 1.00 0.02 H ATOM 203 CG1 ILE 11 -8.093 -13.562 19.395 1.00 -0.04 C ATOM 204 1HG1 ILE 11 -8.949 -13.827 20.007 1.00 0.02 H ATOM 205 2HG1 ILE 11 -8.170 -14.107 18.456 1.00 0.02 H ATOM 206 CG2 ILE 11 -8.137 -11.202 20.394 1.00 -0.32 C ATOM 207 1HG2 ILE 11 -8.282 -10.149 20.154 1.00 0.09 H ATOM 208 2HG2 ILE 11 -8.926 -11.527 21.066 1.00 0.09 H ATOM 209 3HG2 ILE 11 -7.177 -11.307 20.900 1.00 0.09 H ATOM 210 CD1 ILE 11 -6.830 -14.059 20.103 1.00 -0.07 C ATOM 211 1HD1 ILE 11 -6.775 -13.649 21.112 1.00 0.02 H ATOM 212 2HD1 ILE 11 -6.861 -15.147 20.169 1.00 0.02 H ATOM 213 3HD1 ILE 11 -5.945 -13.762 19.539 1.00 0.02 H ATOM 214 N TRP 12 -10.217 -13.391 16.723 1.00 -0.42 N ATOM 215 H TRP 12 -10.869 -13.586 17.466 1.00 0.27 H ATOM 216 CA TRP 12 -10.286 -14.241 15.535 1.00 -0.03 C ATOM 217 HA TRP 12 -9.271 -14.521 15.261 1.00 0.11 H ATOM 218 C TRP 12 -10.939 -13.618 14.303 1.00 0.60 C ATOM 219 O TRP 12 -11.403 -14.336 13.430 1.00 -0.57 O ATOM 220 CB TRP 12 -11.048 -15.508 15.914 1.00 -0.00 C ATOM 221 1HB TRP 12 -12.103 -15.268 16.049 1.00 0.03 H ATOM 222 2HB TRP 12 -10.952 -16.236 15.113 1.00 0.03 H ATOM 223 CG TRP 12 -10.523 -16.102 17.178 1.00 -0.14 C ATOM 224 CD1 TRP 12 -11.151 -16.153 18.380 1.00 -0.16 C ATOM 225 HD1 TRP 12 -12.150 -15.770 18.566 1.00 0.21 H ATOM 226 CD2 TRP 12 -9.235 -16.706 17.391 1.00 0.12 C ATOM 227 NE1 TRP 12 -10.358 -16.727 19.331 1.00 -0.34 N ATOM 228 HE1 TRP 12 -10.609 -16.798 20.312 1.00 0.34 H ATOM 229 CE2 TRP 12 -9.182 -17.114 18.754 1.00 0.14 C ATOM 230 CE3 TRP 12 -8.106 -16.923 16.575 1.00 -0.24 C ATOM 231 HE3 TRP 12 -8.103 -16.581 15.553 1.00 0.17 H ATOM 232 CZ2 TRP 12 -8.057 -17.758 19.306 1.00 -0.26 C ATOM 233 HZ2 TRP 12 -8.042 -18.052 20.345 1.00 0.16 H ATOM 234 CZ3 TRP 12 -6.972 -17.578 17.122 1.00 -0.20 C ATOM 235 HZ3 TRP 12 -6.100 -17.756 16.508 1.00 0.14 H ATOM 236 CH2 TRP 12 -6.965 -17.991 18.487 1.00 -0.11 C ATOM 237 HH2 TRP 12 -6.092 -18.485 18.891 1.00 0.14 H ATOM 238 N LYS 13 -10.964 -12.293 14.242 1.00 -0.35 N ATOM 239 H LYS 13 -10.521 -11.795 15.001 1.00 0.28 H ATOM 240 CA LYS 13 -11.574 -11.493 13.163 1.00 -0.24 C ATOM 241 HA LYS 13 -12.574 -11.899 12.988 1.00 0.14 H ATOM 242 C LYS 13 -10.874 -11.544 11.790 1.00 0.73 C ATOM 243 O LYS 13 -10.676 -10.529 11.122 1.00 -0.59 O ATOM 244 CB LYS 13 -11.752 -10.045 13.672 1.00 -0.01 C ATOM 245 1HB LYS 13 -12.044 -9.403 12.841 1.00 0.04 H ATOM 246 2HB LYS 13 -12.598 -10.062 14.359 1.00 0.04 H ATOM 247 CG LYS 13 -10.570 -9.385 14.450 1.00 0.02 C ATOM 248 1HG LYS 13 -10.924 -8.436 14.854 1.00 0.01 H ATOM 249 2HG LYS 13 -10.313 -10.014 15.299 1.00 0.01 H ATOM 250 CD LYS 13 -9.281 -9.107 13.662 1.00 -0.05 C ATOM 251 1HD LYS 13 -8.491 -8.849 14.369 1.00 0.06 H ATOM 252 2HD LYS 13 -8.980 -10.012 13.138 1.00 0.06 H ATOM 253 CE LYS 13 -9.435 -7.957 12.659 1.00 -0.01 C ATOM 254 1HE LYS 13 -10.495 -7.719 12.549 1.00 0.11 H ATOM 255 2HE LYS 13 -8.919 -7.074 13.043 1.00 0.11 H ATOM 256 NZ LYS 13 -8.883 -8.329 11.311 1.00 -0.38 N ATOM 257 1HZ LYS 13 -8.993 -7.560 10.665 1.00 0.17 H ATOM 258 2HZ LYS 13 -7.906 -8.573 11.387 1.00 0.17 H ATOM 259 3HZ LYS 13 -9.400 -9.132 10.954 1.00 0.17 H ATOM 260 N TRP 14 -10.430 -12.725 11.406 1.00 -0.42 N ATOM 261 H TRP 14 -10.645 -13.526 11.996 1.00 0.27 H ATOM 262 CA TRP 14 -9.669 -12.982 10.185 1.00 -0.03 C ATOM 263 HA TRP 14 -9.945 -12.268 9.410 1.00 0.11 H ATOM 264 C TRP 14 -10.084 -14.371 9.714 1.00 0.60 C ATOM 265 O TRP 14 -9.323 -15.108 9.092 1.00 -0.57 O ATOM 266 CB TRP 14 -8.162 -12.878 10.464 1.00 -0.00 C ATOM 267 1HB TRP 14 -7.606 -13.317 9.636 1.00 0.03 H ATOM 268 2HB TRP 14 -7.909 -11.819 10.504 1.00 0.03 H ATOM 269 CG TRP 14 -7.698 -13.496 11.765 1.00 -0.14 C ATOM 270 CD1 TRP 14 -7.638 -12.885 12.979 1.00 -0.16 C ATOM 271 HD1 TRP 14 -7.971 -11.875 13.167 1.00 0.21 H ATOM 272 CD2 TRP 14 -7.163 -14.819 11.982 1.00 0.12 C ATOM 273 NE1 TRP 14 -7.093 -13.697 13.928 1.00 -0.34 N ATOM 274 HE1 TRP 14 -6.964 -13.422 14.897 1.00 0.34 H ATOM 275 CE2 TRP 14 -6.759 -14.888 13.348 1.00 0.14 C ATOM 276 CE3 TRP 14 -6.935 -15.937 11.154 1.00 -0.24 C ATOM 277 HE3 TRP 14 -7.228 -15.914 10.113 1.00 0.17 H ATOM 278 CZ2 TRP 14 -6.109 -16.017 13.887 1.00 -0.26 C ATOM 279 HZ2 TRP 14 -5.780 -16.025 14.916 1.00 0.16 H ATOM 280 CZ3 TRP 14 -6.299 -17.086 11.698 1.00 -0.20 C ATOM 281 HZ3 TRP 14 -6.113 -17.943 11.066 1.00 0.14 H ATOM 282 CH2 TRP 14 -5.886 -17.105 13.062 1.00 -0.11 C ATOM 283 HH2 TRP 14 -5.380 -17.977 13.452 1.00 0.14 H ATOM 284 N LYS 15 -11.309 -14.720 10.079 1.00 -0.35 N ATOM 285 H LYS 15 -11.933 -14.039 10.503 1.00 0.28 H ATOM 286 CA LYS 15 -11.946 -16.001 9.804 1.00 -0.24 C ATOM 287 HA LYS 15 -11.549 -16.470 8.905 1.00 0.14 H ATOM 288 C LYS 15 -13.371 -15.527 9.600 1.00 0.73 C ATOM 289 O LYS 15 -14.254 -16.293 9.179 1.00 -0.59 O ATOM 290 OXT LYS 15 -13.558 -14.335 9.955 1.00 -0.59 O ATOM 291 CB LYS 15 -11.904 -16.928 11.020 1.00 -0.01 C ATOM 292 1HB LYS 15 -12.430 -16.427 11.834 1.00 0.04 H ATOM 293 2HB LYS 15 -12.445 -17.843 10.777 1.00 0.04 H ATOM 294 CG LYS 15 -10.513 -17.282 11.507 1.00 0.02 C ATOM 295 1HG LYS 15 -9.960 -17.796 10.721 1.00 0.01 H ATOM 296 2HG LYS 15 -9.987 -16.369 11.783 1.00 0.01 H ATOM 297 CD LYS 15 -10.618 -18.167 12.727 1.00 -0.05 C ATOM 298 1HD LYS 15 -11.258 -17.675 13.458 1.00 0.06 H ATOM 299 2HD LYS 15 -11.066 -19.121 12.446 1.00 0.06 H ATOM 300 CE LYS 15 -9.250 -18.388 13.337 1.00 -0.01 C ATOM 301 1HE LYS 15 -8.606 -18.880 12.604 1.00 0.11 H ATOM 302 2HE LYS 15 -8.815 -17.416 13.582 1.00 0.11 H ATOM 303 NZ LYS 15 -9.345 -19.221 14.581 1.00 -0.38 N ATOM 304 1HZ LYS 15 -9.958 -18.768 15.247 1.00 0.17 H ATOM 305 2HZ LYS 15 -9.717 -20.133 14.355 1.00 0.17 H ATOM 306 3HZ LYS 15 -8.430 -19.324 14.998 1.00 0.17 H TER 307 LYS 15 END
SEQUENCE	AKRLKKLAKKIWKWK
HELICITY	93.30	INSTAB. INDEX	14.09	FLEXIBILITY	6.85
a HYD. MOM.	61.53	b HYD. MOM.	25.93	c HYD. MOM	5.95
a MEAN HYD. MOM.	4.10	b MEAN HYD. MOM.	1.73	c MEAN HYD. MOM.	0.40
CHARGE pH5	8.00	CHARGE pH7	8.00	CHARGE pH9	7.62
Δ CHARGE pH5-pH9	0.39	ISOELECTRIC POINT	11.40	BOMAN INDEX	2.05
ΔG	15	CPP	0,53	MLP	-23,52
MOLECULAR VOLUME		POLARITY
MIC E. coli	4	MIC P. aeruginosa	2	MIC S. typhimurium	2
MIC S. aureus	4	MIC M. luteus		MIC B. subtilis	2
MIC C. albicans	8	OTHER	T. beigelii= 16; A. awamori= 8; A. flavus= 8; A. fumigatus= 4; A. parasiticus= 8.
MIC OTHER gram+	L. monocytogenes= 2; S. epidermidis= 3.
MIC OTHER gram-	P. vulgaris= 3.
PHYLUM	Proteobacteria	CLASS	Proteobacteria Epsilon	ORDER	Campylobacterales
FAMILY	Helicobacteraceae	GENUS	Helicobacter	SPECIES	Helicobacter pylori
DATE	2012
TITLE PAPER	Antimicrobial HPA3NT3 peptide analogs: Placement of aromatic rings and positive charges are key determinants for cell selectivity and mechanism of action