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ID	717	NAME	MB-43   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\ELAKKALRALKKALKSAK.pdb REMARK YASARA Written on: Mon May 19 15:31:01 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 311 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 18 GLU LEU ALA LYS LYS ALA LEU ARG ALA LEU LYS LYS ALA SEQRES 2 18 LEU LYS SER ALA LYS ATOM 1 N GLU 1 -20.823 -19.908 22.414 1.00 -0.52 N ATOM 2 1H GLU 1 -21.720 -19.726 21.989 1.00 -0.52 H ATOM 3 2H GLU 1 -20.841 -19.647 23.389 1.00 -0.52 H ATOM 4 3H GLU 1 -20.112 -19.365 21.937 1.00 0.29 H ATOM 5 CA GLU 1 -20.485 -21.356 22.288 1.00 0.04 C ATOM 6 HA GLU 1 -21.300 -21.933 22.723 1.00 0.11 H ATOM 7 C GLU 1 -19.217 -21.649 23.071 1.00 0.54 C ATOM 8 O GLU 1 -18.486 -20.717 23.376 1.00 -0.58 O ATOM 9 CB GLU 1 -20.357 -21.738 20.802 1.00 0.06 C ATOM 10 1HB GLU 1 -20.674 -22.776 20.699 1.00 -0.02 H ATOM 11 2HB GLU 1 -21.062 -21.124 20.241 1.00 -0.02 H ATOM 12 CG GLU 1 -18.970 -21.617 20.145 1.00 0.01 C ATOM 13 1HG GLU 1 -18.307 -22.349 20.603 1.00 -0.04 H ATOM 14 2HG GLU 1 -19.064 -21.867 19.088 1.00 -0.04 H ATOM 15 CD GLU 1 -18.329 -20.245 20.272 1.00 0.81 C ATOM 16 OE1 GLU 1 -17.098 -20.190 20.432 1.00 -0.57 O ATOM 17 OE2 GLU 1 -19.036 -19.216 20.280 1.00 -0.57 O ATOM 18 N LEU 2 -18.966 -22.898 23.443 1.00 -0.42 N ATOM 19 H LEU 2 -19.581 -23.653 23.172 1.00 0.27 H ATOM 20 CA LEU 2 -17.823 -23.213 24.304 1.00 -0.05 C ATOM 21 HA LEU 2 -17.710 -22.417 25.040 1.00 0.09 H ATOM 22 C LEU 2 -16.485 -23.348 23.580 1.00 0.60 C ATOM 23 O LEU 2 -15.443 -23.306 24.218 1.00 -0.57 O ATOM 24 CB LEU 2 -18.089 -24.527 25.050 1.00 -0.11 C ATOM 25 1HB LEU 2 -18.195 -25.317 24.306 1.00 0.05 H ATOM 26 2HB LEU 2 -17.205 -24.756 25.646 1.00 0.05 H ATOM 27 CG LEU 2 -19.307 -24.591 25.987 1.00 0.35 C ATOM 28 HG LEU 2 -20.198 -24.325 25.420 1.00 -0.04 H ATOM 29 CD1 LEU 2 -19.483 -26.015 26.502 1.00 -0.41 C ATOM 30 1HD1 LEU 2 -18.615 -26.323 27.087 1.00 0.10 H ATOM 31 2HD1 LEU 2 -20.372 -26.072 27.134 1.00 0.10 H ATOM 32 3HD1 LEU 2 -19.615 -26.704 25.666 1.00 0.10 H ATOM 33 CD2 LEU 2 -19.184 -23.631 27.172 1.00 -0.41 C ATOM 34 1HD2 LEU 2 -20.059 -23.732 27.819 1.00 0.10 H ATOM 35 2HD2 LEU 2 -18.289 -23.855 27.753 1.00 0.10 H ATOM 36 3HD2 LEU 2 -19.139 -22.600 26.822 1.00 0.10 H ATOM 37 N ALA 3 -16.499 -23.540 22.269 1.00 -0.42 N ATOM 38 H ALA 3 -17.370 -23.537 21.771 1.00 0.27 H ATOM 39 CA ALA 3 -15.266 -23.821 21.534 1.00 0.03 C ATOM 40 HA ALA 3 -14.814 -24.712 21.974 1.00 0.08 H ATOM 41 C ALA 3 -14.225 -22.697 21.627 1.00 0.60 C ATOM 42 O ALA 3 -13.091 -22.913 22.043 1.00 -0.57 O ATOM 43 CB ALA 3 -15.602 -24.126 20.065 1.00 -0.18 C ATOM 44 1HB ALA 3 -16.269 -24.988 20.008 1.00 0.06 H ATOM 45 2HB ALA 3 -16.078 -23.265 19.594 1.00 0.06 H ATOM 46 3HB ALA 3 -14.682 -24.365 19.526 1.00 0.06 H ATOM 47 N LYS 4 -14.604 -21.475 21.279 1.00 -0.35 N ATOM 48 H LYS 4 -15.566 -21.298 20.988 1.00 0.28 H ATOM 49 CA LYS 4 -13.653 -20.358 21.265 1.00 -0.24 C ATOM 50 HA LYS 4 -12.645 -20.758 21.133 1.00 0.14 H ATOM 51 C LYS 4 -13.687 -19.624 22.597 1.00 0.73 C ATOM 52 O LYS 4 -13.569 -18.397 22.653 1.00 -0.59 O ATOM 53 CB LYS 4 -13.941 -19.428 20.081 1.00 -0.01 C ATOM 54 1HB LYS 4 -14.935 -19.016 20.199 1.00 0.04 H ATOM 55 2HB LYS 4 -13.228 -18.608 20.095 1.00 0.04 H ATOM 56 CG LYS 4 -13.837 -20.139 18.722 1.00 0.02 C ATOM 57 1HG LYS 4 -12.802 -20.448 18.580 1.00 0.01 H ATOM 58 2HG LYS 4 -14.463 -21.031 18.724 1.00 0.01 H ATOM 59 CD LYS 4 -14.258 -19.277 17.531 1.00 -0.05 C ATOM 60 1HD LYS 4 -13.739 -18.319 17.574 1.00 0.06 H ATOM 61 2HD LYS 4 -13.959 -19.795 16.618 1.00 0.06 H ATOM 62 CE LYS 4 -15.774 -19.049 17.484 1.00 -0.01 C ATOM 63 1HE LYS 4 -16.275 -20.019 17.537 1.00 0.11 H ATOM 64 2HE LYS 4 -16.079 -18.461 18.352 1.00 0.11 H ATOM 65 NZ LYS 4 -16.198 -18.344 16.223 1.00 -0.38 N ATOM 66 1HZ LYS 4 -17.202 -18.216 16.221 1.00 0.17 H ATOM 67 2HZ LYS 4 -15.749 -17.441 16.163 1.00 0.17 H ATOM 68 3HZ LYS 4 -15.936 -18.896 15.417 1.00 0.17 H ATOM 69 N LYS 5 -13.835 -20.370 23.685 1.00 -0.35 N ATOM 70 H LYS 5 -13.944 -21.376 23.581 1.00 0.28 H ATOM 71 CA LYS 5 -13.813 -19.785 25.031 1.00 -0.24 C ATOM 72 HA LYS 5 -14.531 -18.969 25.064 1.00 0.14 H ATOM 73 C LYS 5 -12.442 -19.191 25.333 1.00 0.73 C ATOM 74 O LYS 5 -12.337 -18.221 26.073 1.00 -0.59 O ATOM 75 CB LYS 5 -14.219 -20.808 26.100 1.00 -0.01 C ATOM 76 1HB LYS 5 -14.293 -20.295 27.060 1.00 0.04 H ATOM 77 2HB LYS 5 -15.209 -21.184 25.841 1.00 0.04 H ATOM 78 CG LYS 5 -13.277 -22.004 26.260 1.00 0.02 C ATOM 79 1HG LYS 5 -13.132 -22.477 25.289 1.00 0.01 H ATOM 80 2HG LYS 5 -12.311 -21.664 26.635 1.00 0.01 H ATOM 81 CD LYS 5 -13.855 -23.034 27.219 1.00 -0.05 C ATOM 82 1HD LYS 5 -13.985 -22.581 28.203 1.00 0.06 H ATOM 83 2HD LYS 5 -14.826 -23.360 26.844 1.00 0.06 H ATOM 84 CE LYS 5 -12.932 -24.242 27.321 1.00 -0.01 C ATOM 85 1HE LYS 5 -12.772 -24.645 26.317 1.00 0.11 H ATOM 86 2HE LYS 5 -11.968 -23.920 27.723 1.00 0.11 H ATOM 87 NZ LYS 5 -13.510 -25.317 28.199 1.00 -0.38 N ATOM 88 1HZ LYS 5 -12.875 -26.103 28.243 1.00 0.17 H ATOM 89 2HZ LYS 5 -13.658 -24.958 29.132 1.00 0.17 H ATOM 90 3HZ LYS 5 -14.394 -25.629 27.819 1.00 0.17 H ATOM 91 N ALA 6 -11.407 -19.719 24.692 1.00 -0.42 N ATOM 92 H ALA 6 -11.549 -20.516 24.094 1.00 0.27 H ATOM 93 CA ALA 6 -10.060 -19.180 24.840 1.00 0.03 C ATOM 94 HA ALA 6 -9.794 -19.179 25.899 1.00 0.08 H ATOM 95 C ALA 6 -10.003 -17.735 24.336 1.00 0.60 C ATOM 96 O ALA 6 -9.382 -16.879 24.949 1.00 -0.57 O ATOM 97 CB ALA 6 -9.064 -20.064 24.076 1.00 -0.18 C ATOM 98 1HB ALA 6 -8.055 -19.663 24.203 1.00 0.06 H ATOM 99 2HB ALA 6 -9.087 -21.081 24.470 1.00 0.06 H ATOM 100 3HB ALA 6 -9.305 -20.080 23.012 1.00 0.06 H ATOM 101 N LEU 7 -10.697 -17.442 23.245 1.00 -0.42 N ATOM 102 H LEU 7 -11.223 -18.160 22.772 1.00 0.27 H ATOM 103 CA LEU 7 -10.703 -16.082 22.712 1.00 -0.05 C ATOM 104 HA LEU 7 -9.678 -15.710 22.699 1.00 0.09 H ATOM 105 C LEU 7 -11.522 -15.154 23.597 1.00 0.60 C ATOM 106 O LEU 7 -11.270 -13.953 23.641 1.00 -0.57 O ATOM 107 CB LEU 7 -11.261 -16.039 21.285 1.00 -0.11 C ATOM 108 1HB LEU 7 -12.299 -16.367 21.319 1.00 0.05 H ATOM 109 2HB LEU 7 -11.254 -14.997 20.966 1.00 0.05 H ATOM 110 CG LEU 7 -10.540 -16.862 20.204 1.00 0.35 C ATOM 111 HG LEU 7 -10.615 -17.917 20.465 1.00 -0.04 H ATOM 112 CD1 LEU 7 -11.236 -16.646 18.860 1.00 -0.41 C ATOM 113 1HD1 LEU 7 -12.297 -16.870 18.946 1.00 0.10 H ATOM 114 2HD1 LEU 7 -11.109 -15.614 18.529 1.00 0.10 H ATOM 115 3HD1 LEU 7 -10.796 -17.312 18.115 1.00 0.10 H ATOM 116 CD2 LEU 7 -9.060 -16.506 20.064 1.00 -0.41 C ATOM 117 1HD2 LEU 7 -8.616 -17.080 19.248 1.00 0.10 H ATOM 118 2HD2 LEU 7 -8.938 -15.443 19.855 1.00 0.10 H ATOM 119 3HD2 LEU 7 -8.523 -16.757 20.979 1.00 0.10 H ATOM 120 N ARG 8 -12.490 -15.690 24.330 1.00 -0.35 N ATOM 121 H ARG 8 -12.668 -16.685 24.281 1.00 0.28 H ATOM 122 CA ARG 8 -13.270 -14.845 25.239 1.00 -0.26 C ATOM 123 HA ARG 8 -13.542 -13.927 24.720 1.00 0.16 H ATOM 124 C ARG 8 -12.379 -14.474 26.414 1.00 0.73 C ATOM 125 O ARG 8 -12.353 -13.321 26.836 1.00 -0.59 O ATOM 126 CB ARG 8 -14.538 -15.529 25.773 1.00 -0.00 C ATOM 127 1HB ARG 8 -14.246 -16.323 26.461 1.00 0.03 H ATOM 128 2HB ARG 8 -15.089 -14.785 26.349 1.00 0.03 H ATOM 129 CG ARG 8 -15.495 -16.142 24.748 1.00 0.04 C ATOM 130 1HG ARG 8 -15.043 -17.041 24.341 1.00 0.03 H ATOM 131 2HG ARG 8 -16.407 -16.431 25.272 1.00 0.03 H ATOM 132 CD ARG 8 -15.864 -15.231 23.580 1.00 0.05 C ATOM 133 1HD ARG 8 -15.959 -14.209 23.949 1.00 0.07 H ATOM 134 2HD ARG 8 -15.061 -15.258 22.842 1.00 0.07 H ATOM 135 NE ARG 8 -17.137 -15.612 22.944 1.00 -0.53 N ATOM 136 HE ARG 8 -17.918 -15.004 23.132 1.00 0.35 H ATOM 137 CZ ARG 8 -17.363 -16.652 22.149 1.00 0.81 C ATOM 138 NH1 ARG 8 -18.531 -16.746 21.583 1.00 -0.86 N ATOM 139 1HH1 ARG 8 -19.222 -16.030 21.710 1.00 0.32 H ATOM 140 2HH1 ARG 8 -18.731 -17.556 20.991 1.00 0.32 H ATOM 141 NH2 ARG 8 -16.503 -17.604 21.900 1.00 -0.86 N ATOM 142 1HH2 ARG 8 -15.573 -17.562 22.289 1.00 0.32 H ATOM 143 2HH2 ARG 8 -16.784 -18.406 21.334 1.00 0.32 H ATOM 144 N ALA 9 -11.620 -15.444 26.903 1.00 -0.42 N ATOM 145 H ALA 9 -11.700 -16.381 26.521 1.00 0.27 H ATOM 146 CA ALA 9 -10.683 -15.219 27.999 1.00 0.03 C ATOM 147 HA ALA 9 -11.224 -14.777 28.836 1.00 0.08 H ATOM 148 C ALA 9 -9.585 -14.241 27.575 1.00 0.60 C ATOM 149 O ALA 9 -9.234 -13.340 28.325 1.00 -0.57 O ATOM 150 CB ALA 9 -10.081 -16.557 28.449 1.00 -0.18 C ATOM 151 1HB ALA 9 -9.524 -17.015 27.631 1.00 0.06 H ATOM 152 2HB ALA 9 -9.402 -16.384 29.287 1.00 0.06 H ATOM 153 3HB ALA 9 -10.875 -17.232 28.769 1.00 0.06 H ATOM 154 N LEU 10 -9.088 -14.378 26.355 1.00 -0.42 N ATOM 155 H LEU 10 -9.379 -15.167 25.783 1.00 0.27 H ATOM 156 CA LEU 10 -8.088 -13.454 25.822 1.00 -0.05 C ATOM 157 HA LEU 10 -7.218 -13.468 26.478 1.00 0.09 H ATOM 158 C LEU 10 -8.610 -12.022 25.766 1.00 0.60 C ATOM 159 O LEU 10 -7.910 -11.081 26.124 1.00 -0.57 O ATOM 160 CB LEU 10 -7.677 -13.906 24.416 1.00 -0.11 C ATOM 161 1HB LEU 10 -7.338 -14.940 24.483 1.00 0.05 H ATOM 162 2HB LEU 10 -8.567 -13.891 23.792 1.00 0.05 H ATOM 163 CG LEU 10 -6.594 -13.098 23.683 1.00 0.35 C ATOM 164 HG LEU 10 -6.932 -12.067 23.589 1.00 -0.04 H ATOM 165 CD1 LEU 10 -5.254 -13.102 24.414 1.00 -0.41 C ATOM 166 1HD1 LEU 10 -5.353 -12.598 25.376 1.00 0.10 H ATOM 167 2HD1 LEU 10 -4.912 -14.125 24.575 1.00 0.10 H ATOM 168 3HD1 LEU 10 -4.509 -12.565 23.825 1.00 0.10 H ATOM 169 CD2 LEU 10 -6.418 -13.667 22.277 1.00 -0.41 C ATOM 170 1HD2 LEU 10 -6.073 -14.702 22.329 1.00 0.10 H ATOM 171 2HD2 LEU 10 -7.362 -13.628 21.736 1.00 0.10 H ATOM 172 3HD2 LEU 10 -5.679 -13.077 21.733 1.00 0.10 H ATOM 173 N LYS 11 -9.855 -11.837 25.350 1.00 -0.35 N ATOM 174 H LYS 11 -10.405 -12.633 25.043 1.00 0.28 H ATOM 175 CA LYS 11 -10.435 -10.492 25.317 1.00 -0.24 C ATOM 176 HA LYS 11 -9.716 -9.815 24.857 1.00 0.14 H ATOM 177 C LYS 11 -10.694 -9.951 26.716 1.00 0.73 C ATOM 178 O LYS 11 -10.538 -8.756 26.940 1.00 -0.59 O ATOM 179 CB LYS 11 -11.710 -10.478 24.476 1.00 -0.01 C ATOM 180 1HB LYS 11 -12.368 -11.279 24.813 1.00 0.04 H ATOM 181 2HB LYS 11 -12.215 -9.522 24.619 1.00 0.04 H ATOM 182 CG LYS 11 -11.408 -10.648 22.991 1.00 0.02 C ATOM 183 1HG LYS 11 -10.770 -9.826 22.669 1.00 0.01 H ATOM 184 2HG LYS 11 -10.875 -11.583 22.835 1.00 0.01 H ATOM 185 CD LYS 11 -12.677 -10.666 22.152 1.00 -0.05 C ATOM 186 1HD LYS 11 -13.335 -11.450 22.530 1.00 0.06 H ATOM 187 2HD LYS 11 -13.185 -9.706 22.242 1.00 0.06 H ATOM 188 CE LYS 11 -12.369 -10.950 20.680 1.00 -0.01 C ATOM 189 1HE LYS 11 -11.872 -11.920 20.610 1.00 0.11 H ATOM 190 2HE LYS 11 -13.313 -11.008 20.133 1.00 0.11 H ATOM 191 NZ LYS 11 -11.497 -9.901 20.039 1.00 -0.38 N ATOM 192 1HZ LYS 11 -10.613 -9.846 20.526 1.00 0.17 H ATOM 193 2HZ LYS 11 -11.324 -10.140 19.071 1.00 0.17 H ATOM 194 3HZ LYS 11 -11.954 -9.001 20.079 1.00 0.17 H ATOM 195 N LYS 12 -11.030 -10.807 27.672 1.00 -0.35 N ATOM 196 H LYS 12 -11.184 -11.785 27.441 1.00 0.28 H ATOM 197 CA LYS 12 -11.142 -10.368 29.066 1.00 -0.24 C ATOM 198 HA LYS 12 -11.783 -9.490 29.118 1.00 0.14 H ATOM 199 C LYS 12 -9.785 -9.940 29.602 1.00 0.73 C ATOM 200 O LYS 12 -9.699 -8.910 30.250 1.00 -0.59 O ATOM 201 CB LYS 12 -11.697 -11.480 29.964 1.00 -0.01 C ATOM 202 1HB LYS 12 -11.206 -12.414 29.700 1.00 0.04 H ATOM 203 2HB LYS 12 -11.436 -11.249 30.998 1.00 0.04 H ATOM 204 CG LYS 12 -13.207 -11.686 29.901 1.00 0.02 C ATOM 205 1HG LYS 12 -13.527 -11.771 28.863 1.00 0.01 H ATOM 206 2HG LYS 12 -13.448 -12.612 30.422 1.00 0.01 H ATOM 207 CD LYS 12 -13.953 -10.538 30.585 1.00 -0.05 C ATOM 208 1HD LYS 12 -13.541 -10.402 31.586 1.00 0.06 H ATOM 209 2HD LYS 12 -13.811 -9.618 30.017 1.00 0.06 H ATOM 210 CE LYS 12 -15.443 -10.835 30.702 1.00 -0.01 C ATOM 211 1HE LYS 12 -15.861 -10.961 29.701 1.00 0.11 H ATOM 212 2HE LYS 12 -15.573 -11.768 31.256 1.00 0.11 H ATOM 213 NZ LYS 12 -16.163 -9.724 31.420 1.00 -0.38 N ATOM 214 1HZ LYS 12 -16.056 -8.858 30.910 1.00 0.17 H ATOM 215 2HZ LYS 12 -17.147 -9.945 31.497 1.00 0.17 H ATOM 216 3HZ LYS 12 -15.777 -9.610 32.348 1.00 0.17 H ATOM 217 N ALA 13 -8.738 -10.697 29.310 1.00 -0.42 N ATOM 218 H ALA 13 -8.869 -11.556 28.783 1.00 0.27 H ATOM 219 CA ALA 13 -7.393 -10.355 29.762 1.00 0.03 C ATOM 220 HA ALA 13 -7.412 -10.231 30.846 1.00 0.08 H ATOM 221 C ALA 13 -6.941 -9.032 29.137 1.00 0.60 C ATOM 222 O ALA 13 -6.379 -8.172 29.812 1.00 -0.57 O ATOM 223 CB ALA 13 -6.423 -11.490 29.405 1.00 -0.18 C ATOM 224 1HB ALA 13 -6.385 -11.629 28.324 1.00 0.06 H ATOM 225 2HB ALA 13 -5.425 -11.243 29.771 1.00 0.06 H ATOM 226 3HB ALA 13 -6.754 -12.417 29.874 1.00 0.06 H ATOM 227 N LEU 14 -7.225 -8.858 27.854 1.00 -0.42 N ATOM 228 H LEU 14 -7.667 -9.616 27.340 1.00 0.27 H ATOM 229 CA LEU 14 -6.900 -7.621 27.147 1.00 -0.05 C ATOM 230 HA LEU 14 -5.827 -7.450 27.218 1.00 0.09 H ATOM 231 C LEU 14 -7.604 -6.432 27.794 1.00 0.60 C ATOM 232 O LEU 14 -6.994 -5.383 27.987 1.00 -0.57 O ATOM 233 CB LEU 14 -7.290 -7.780 25.669 1.00 -0.11 C ATOM 234 1HB LEU 14 -6.792 -8.687 25.327 1.00 0.05 H ATOM 235 2HB LEU 14 -8.360 -7.969 25.620 1.00 0.05 H ATOM 236 CG LEU 14 -6.972 -6.682 24.638 1.00 0.35 C ATOM 237 HG LEU 14 -5.983 -6.278 24.851 1.00 -0.04 H ATOM 238 CD1 LEU 14 -6.936 -7.319 23.246 1.00 -0.41 C ATOM 239 1HD1 LEU 14 -7.904 -7.760 23.009 1.00 0.10 H ATOM 240 2HD1 LEU 14 -6.692 -6.564 22.498 1.00 0.10 H ATOM 241 3HD1 LEU 14 -6.170 -8.096 23.214 1.00 0.10 H ATOM 242 CD2 LEU 14 -7.987 -5.533 24.614 1.00 -0.41 C ATOM 243 1HD2 LEU 14 -8.987 -5.918 24.411 1.00 0.10 H ATOM 244 2HD2 LEU 14 -7.999 -5.022 25.575 1.00 0.10 H ATOM 245 3HD2 LEU 14 -7.718 -4.810 23.844 1.00 0.10 H ATOM 246 N LYS 15 -8.861 -6.607 28.174 1.00 -0.35 N ATOM 247 H LYS 15 -9.308 -7.506 28.015 1.00 0.28 H ATOM 248 CA LYS 15 -9.646 -5.546 28.809 1.00 -0.24 C ATOM 249 HA LYS 15 -9.222 -4.586 28.522 1.00 0.14 H ATOM 250 C LYS 15 -9.602 -5.584 30.332 1.00 0.73 C ATOM 251 O LYS 15 -10.542 -5.168 31.000 1.00 -0.59 O ATOM 252 CB LYS 15 -11.092 -5.565 28.308 1.00 -0.01 C ATOM 253 1HB LYS 15 -11.536 -6.541 28.504 1.00 0.04 H ATOM 254 2HB LYS 15 -11.653 -4.814 28.858 1.00 0.04 H ATOM 255 CG LYS 15 -11.206 -5.237 26.823 1.00 0.02 C ATOM 256 1HG LYS 15 -10.570 -4.382 26.593 1.00 0.01 H ATOM 257 2HG LYS 15 -10.857 -6.094 26.247 1.00 0.01 H ATOM 258 CD LYS 15 -12.639 -4.908 26.403 1.00 -0.05 C ATOM 259 1HD LYS 15 -12.783 -5.276 25.387 1.00 0.06 H ATOM 260 2HD LYS 15 -13.338 -5.426 27.059 1.00 0.06 H ATOM 261 CE LYS 15 -12.939 -3.397 26.405 1.00 -0.01 C ATOM 262 1HE LYS 15 -12.192 -2.901 25.778 1.00 0.11 H ATOM 263 2HE LYS 15 -13.914 -3.241 25.941 1.00 0.11 H ATOM 264 NZ LYS 15 -12.938 -2.715 27.746 1.00 -0.38 N ATOM 265 1HZ LYS 15 -13.608 -3.130 28.372 1.00 0.17 H ATOM 266 2HZ LYS 15 -12.006 -2.775 28.163 1.00 0.17 H ATOM 267 3HZ LYS 15 -13.126 -1.729 27.631 1.00 0.17 H ATOM 268 N SER 16 -8.480 -6.017 30.886 1.00 -0.42 N ATOM 269 H SER 16 -7.762 -6.439 30.314 1.00 0.27 H ATOM 270 CA SER 16 -8.258 -5.867 32.325 1.00 -0.03 C ATOM 271 HA SER 16 -9.159 -6.161 32.863 1.00 0.08 H ATOM 272 C SER 16 -7.942 -4.407 32.650 1.00 0.60 C ATOM 273 O SER 16 -8.094 -3.964 33.784 1.00 -0.57 O ATOM 274 CB SER 16 -7.090 -6.733 32.796 1.00 0.21 C ATOM 275 1HB SER 16 -6.172 -6.388 32.319 1.00 0.04 H ATOM 276 2HB SER 16 -6.987 -6.635 33.878 1.00 0.04 H ATOM 277 OG SER 16 -7.298 -8.093 32.462 1.00 -0.65 O ATOM 278 HG SER 16 -7.073 -8.208 31.528 1.00 0.43 H ATOM 279 N ALA 17 -7.470 -3.677 31.645 1.00 -0.42 N ATOM 280 H ALA 17 -7.362 -4.105 30.740 1.00 0.27 H ATOM 281 CA ALA 17 -7.087 -2.273 31.794 1.00 0.03 C ATOM 282 HA ALA 17 -7.743 -1.806 32.531 1.00 0.08 H ATOM 283 C ALA 17 -7.245 -1.515 30.467 1.00 0.60 C ATOM 284 O ALA 17 -6.444 -0.634 30.148 1.00 -0.57 O ATOM 285 CB ALA 17 -5.630 -2.193 32.294 1.00 -0.18 C ATOM 286 1HB ALA 17 -5.538 -2.734 33.237 1.00 0.06 H ATOM 287 2HB ALA 17 -4.958 -2.627 31.555 1.00 0.06 H ATOM 288 3HB ALA 17 -5.359 -1.149 32.458 1.00 0.06 H ATOM 289 N LYS 18 -8.223 -1.914 29.663 1.00 -0.35 N ATOM 290 H LYS 18 -8.914 -2.584 29.991 1.00 0.28 H ATOM 291 CA LYS 18 -8.475 -1.356 28.329 1.00 -0.24 C ATOM 292 HA LYS 18 -8.246 -0.292 28.301 1.00 0.14 H ATOM 293 C LYS 18 -9.958 -1.578 28.156 1.00 0.73 C ATOM 294 O LYS 18 -10.575 -1.170 27.157 1.00 -0.59 O ATOM 295 OXT LYS 18 -10.474 -2.294 29.040 1.00 -0.59 O ATOM 296 CB LYS 18 -7.747 -2.112 27.211 1.00 -0.01 C ATOM 297 1HB LYS 18 -8.061 -3.152 27.245 1.00 0.04 H ATOM 298 2HB LYS 18 -8.067 -1.695 26.256 1.00 0.04 H ATOM 299 CG LYS 18 -6.232 -2.060 27.278 1.00 0.02 C ATOM 300 1HG LYS 18 -5.905 -1.020 27.261 1.00 0.01 H ATOM 301 2HG LYS 18 -5.901 -2.525 28.205 1.00 0.01 H ATOM 302 CD LYS 18 -5.607 -2.802 26.119 1.00 -0.05 C ATOM 303 1HD LYS 18 -5.984 -3.823 26.110 1.00 0.06 H ATOM 304 2HD LYS 18 -5.876 -2.308 25.185 1.00 0.06 H ATOM 305 CE LYS 18 -4.100 -2.832 26.277 1.00 -0.01 C ATOM 306 1HE LYS 18 -3.723 -1.807 26.301 1.00 0.11 H ATOM 307 2HE LYS 18 -3.855 -3.320 27.224 1.00 0.11 H ATOM 308 NZ LYS 18 -3.465 -3.584 25.146 1.00 -0.38 N ATOM 309 1HZ LYS 18 -2.460 -3.595 25.262 1.00 0.17 H ATOM 310 2HZ LYS 18 -3.811 -4.534 25.135 1.00 0.17 H ATOM 311 3HZ LYS 18 -3.694 -3.136 24.268 1.00 0.17 H TER 312 LYS 18 END
SEQUENCE	ELAKKALRALKKALKSAK
HELICITY	94.40	INSTAB. INDEX	10.71	FLEXIBILITY	10.46
a HYD. MOM.	71.60	b HYD. MOM.	36.74	c HYD. MOM	8.45
a MEAN HYD. MOM.	3.98	b MEAN HYD. MOM.	2.04	c MEAN HYD. MOM.	0.47
CHARGE pH5	6.15	CHARGE pH7	6.00	CHARGE pH9	5.65
Δ CHARGE pH5-pH9	0.51	ISOELECTRIC POINT	10.68	BOMAN INDEX	1.65
ΔG	20	CPP	0,12	MLP	-21,13
MOLECULAR VOLUME		POLARITY
MIC E. coli	0,22	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	3	MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	1998
TITLE PAPER	Patenting computer-designed peptides.