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ID	130	NAME	Synthetic_3   Blast NCBI-PROT
LENGTH	11	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\RLKLLLLLRLK.pdb REMARK YASARA Written on: Wed May 14 15:10:11 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 228 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 11 ARG LEU LYS LEU LEU LEU LEU LEU ARG LEU LYS ATOM 1 N ARG 1 -13.251 -12.958 16.867 1.00 -0.35 N ATOM 2 1H ARG 1 -13.809 -12.157 17.132 1.00 -0.35 H ATOM 3 2H ARG 1 -12.633 -12.688 16.113 1.00 -0.35 H ATOM 4 3H ARG 1 -13.859 -13.702 16.555 1.00 0.28 H ATOM 5 CA ARG 1 -12.437 -13.416 18.036 1.00 -0.26 C ATOM 6 HA ARG 1 -13.107 -13.660 18.861 1.00 0.16 H ATOM 7 C ARG 1 -11.525 -12.282 18.472 1.00 0.73 C ATOM 8 O ARG 1 -11.183 -11.469 17.629 1.00 -0.59 O ATOM 9 CB ARG 1 -11.602 -14.660 17.673 1.00 -0.00 C ATOM 10 1HB ARG 1 -10.983 -14.425 16.806 1.00 0.03 H ATOM 11 2HB ARG 1 -10.939 -14.880 18.511 1.00 0.03 H ATOM 12 CG ARG 1 -12.418 -15.933 17.372 1.00 0.04 C ATOM 13 1HG ARG 1 -13.038 -16.170 18.238 1.00 0.03 H ATOM 14 2HG ARG 1 -13.066 -15.753 16.513 1.00 0.03 H ATOM 15 CD ARG 1 -11.515 -17.136 17.061 1.00 0.05 C ATOM 16 1HD ARG 1 -10.900 -16.897 16.192 1.00 0.07 H ATOM 17 2HD ARG 1 -10.859 -17.317 17.915 1.00 0.07 H ATOM 18 NE ARG 1 -12.281 -18.363 16.785 1.00 -0.53 N ATOM 19 HE ARG 1 -13.285 -18.295 16.831 1.00 0.35 H ATOM 20 CZ ARG 1 -11.780 -19.556 16.483 1.00 0.81 C ATOM 21 NH1 ARG 1 -12.599 -20.549 16.281 1.00 -0.86 N ATOM 22 1HH1 ARG 1 -13.594 -20.424 16.363 1.00 0.32 H ATOM 23 2HH1 ARG 1 -12.238 -21.460 16.045 1.00 0.32 H ATOM 24 NH2 ARG 1 -10.499 -19.801 16.366 1.00 -0.86 N ATOM 25 1HH2 ARG 1 -9.831 -19.065 16.503 1.00 0.32 H ATOM 26 2HH2 ARG 1 -10.180 -20.729 16.140 1.00 0.32 H ATOM 27 N LEU 2 -11.162 -12.189 19.748 1.00 -0.42 N ATOM 28 H LEU 2 -11.321 -12.955 20.388 1.00 0.27 H ATOM 29 CA LEU 2 -10.629 -10.940 20.311 1.00 -0.05 C ATOM 30 HA LEU 2 -11.417 -10.190 20.227 1.00 0.09 H ATOM 31 C LEU 2 -9.400 -10.322 19.644 1.00 0.60 C ATOM 32 O LEU 2 -9.376 -9.121 19.451 1.00 -0.57 O ATOM 33 CB LEU 2 -10.326 -11.146 21.802 1.00 -0.11 C ATOM 34 1HB LEU 2 -11.223 -11.545 22.276 1.00 0.05 H ATOM 35 2HB LEU 2 -9.544 -11.901 21.883 1.00 0.05 H ATOM 36 CG LEU 2 -9.866 -9.922 22.620 1.00 0.35 C ATOM 37 HG LEU 2 -8.944 -9.541 22.184 1.00 -0.04 H ATOM 38 CD1 LEU 2 -10.893 -8.791 22.634 1.00 -0.41 C ATOM 39 1HD1 LEU 2 -11.852 -9.147 23.016 1.00 0.10 H ATOM 40 2HD1 LEU 2 -10.538 -7.984 23.277 1.00 0.10 H ATOM 41 3HD1 LEU 2 -11.022 -8.385 21.632 1.00 0.10 H ATOM 42 CD2 LEU 2 -9.563 -10.358 24.047 1.00 -0.41 C ATOM 43 1HD2 LEU 2 -9.189 -9.506 24.618 1.00 0.10 H ATOM 44 2HD2 LEU 2 -10.466 -10.732 24.534 1.00 0.10 H ATOM 45 3HD2 LEU 2 -8.800 -11.136 24.055 1.00 0.10 H ATOM 46 N LYS 3 -8.401 -11.096 19.238 1.00 -0.35 N ATOM 47 H LYS 3 -8.441 -12.092 19.367 1.00 0.28 H ATOM 48 CA LYS 3 -7.215 -10.479 18.625 1.00 -0.24 C ATOM 49 HA LYS 3 -6.848 -9.712 19.308 1.00 0.14 H ATOM 50 C LYS 3 -7.496 -9.737 17.320 1.00 0.73 C ATOM 51 O LYS 3 -6.804 -8.782 17.014 1.00 -0.59 O ATOM 52 CB LYS 3 -6.081 -11.486 18.410 1.00 -0.01 C ATOM 53 1HB LYS 3 -6.472 -12.385 17.935 1.00 0.04 H ATOM 54 2HB LYS 3 -5.360 -11.027 17.730 1.00 0.04 H ATOM 55 CG LYS 3 -5.330 -11.853 19.692 1.00 0.02 C ATOM 56 1HG LYS 3 -5.023 -10.931 20.186 1.00 0.01 H ATOM 57 2HG LYS 3 -5.984 -12.414 20.358 1.00 0.01 H ATOM 58 CD LYS 3 -4.077 -12.673 19.372 1.00 -0.05 C ATOM 59 1HD LYS 3 -4.370 -13.635 18.950 1.00 0.06 H ATOM 60 2HD LYS 3 -3.496 -12.132 18.623 1.00 0.06 H ATOM 61 CE LYS 3 -3.174 -12.896 20.594 1.00 -0.01 C ATOM 62 1HE LYS 3 -2.241 -13.349 20.247 1.00 0.11 H ATOM 63 2HE LYS 3 -2.928 -11.922 21.024 1.00 0.11 H ATOM 64 NZ LYS 3 -3.759 -13.773 21.669 1.00 -0.38 N ATOM 65 1HZ LYS 3 -3.973 -14.686 21.290 1.00 0.17 H ATOM 66 2HZ LYS 3 -3.092 -13.880 22.422 1.00 0.17 H ATOM 67 3HZ LYS 3 -4.603 -13.354 22.035 1.00 0.17 H ATOM 68 N LEU 4 -8.540 -10.100 16.589 1.00 -0.42 N ATOM 69 H LEU 4 -9.116 -10.873 16.876 1.00 0.27 H ATOM 70 CA LEU 4 -8.906 -9.354 15.382 1.00 -0.05 C ATOM 71 HA LEU 4 -8.037 -9.279 14.728 1.00 0.09 H ATOM 72 C LEU 4 -9.359 -7.943 15.753 1.00 0.60 C ATOM 73 O LEU 4 -9.073 -6.976 15.065 1.00 -0.57 O ATOM 74 CB LEU 4 -10.038 -10.077 14.644 1.00 -0.11 C ATOM 75 1HB LEU 4 -9.727 -11.106 14.470 1.00 0.05 H ATOM 76 2HB LEU 4 -10.908 -10.093 15.300 1.00 0.05 H ATOM 77 CG LEU 4 -10.483 -9.478 13.298 1.00 0.35 C ATOM 78 HG LEU 4 -10.801 -8.452 13.464 1.00 -0.04 H ATOM 79 CD1 LEU 4 -9.368 -9.480 12.251 1.00 -0.41 C ATOM 80 1HD1 LEU 4 -9.757 -9.101 11.305 1.00 0.10 H ATOM 81 2HD1 LEU 4 -8.563 -8.818 12.570 1.00 0.10 H ATOM 82 3HD1 LEU 4 -8.981 -10.489 12.103 1.00 0.10 H ATOM 83 CD2 LEU 4 -11.683 -10.260 12.770 1.00 -0.41 C ATOM 84 1HD2 LEU 4 -12.501 -10.219 13.488 1.00 0.10 H ATOM 85 2HD2 LEU 4 -12.027 -9.805 11.839 1.00 0.10 H ATOM 86 3HD2 LEU 4 -11.409 -11.298 12.574 1.00 0.10 H ATOM 87 N LEU 5 -10.014 -7.826 16.898 1.00 -0.42 N ATOM 88 H LEU 5 -10.135 -8.637 17.488 1.00 0.27 H ATOM 89 CA LEU 5 -10.560 -6.555 17.372 1.00 -0.05 C ATOM 90 HA LEU 5 -10.990 -6.018 16.525 1.00 0.09 H ATOM 91 C LEU 5 -9.473 -5.679 17.987 1.00 0.60 C ATOM 92 O LEU 5 -9.725 -4.547 18.397 1.00 -0.57 O ATOM 93 CB LEU 5 -11.654 -6.817 18.414 1.00 -0.11 C ATOM 94 1HB LEU 5 -11.177 -7.246 19.294 1.00 0.05 H ATOM 95 2HB LEU 5 -12.076 -5.856 18.709 1.00 0.05 H ATOM 96 CG LEU 5 -12.812 -7.746 18.012 1.00 0.35 C ATOM 97 HG LEU 5 -12.401 -8.713 17.723 1.00 -0.04 H ATOM 98 CD1 LEU 5 -13.726 -7.973 19.214 1.00 -0.41 C ATOM 99 1HD1 LEU 5 -14.530 -8.658 18.948 1.00 0.10 H ATOM 100 2HD1 LEU 5 -13.159 -8.395 20.043 1.00 0.10 H ATOM 101 3HD1 LEU 5 -14.166 -7.024 19.533 1.00 0.10 H ATOM 102 CD2 LEU 5 -13.627 -7.204 16.838 1.00 -0.41 C ATOM 103 1HD2 LEU 5 -13.000 -7.124 15.949 1.00 0.10 H ATOM 104 2HD2 LEU 5 -14.458 -7.872 16.616 1.00 0.10 H ATOM 105 3HD2 LEU 5 -14.023 -6.215 17.080 1.00 0.10 H ATOM 106 N LEU 6 -8.263 -6.213 18.063 1.00 -0.42 N ATOM 107 H LEU 6 -8.142 -7.181 17.809 1.00 0.27 H ATOM 108 CA LEU 6 -7.083 -5.444 18.450 1.00 -0.05 C ATOM 109 HA LEU 6 -7.385 -4.529 18.952 1.00 0.09 H ATOM 110 C LEU 6 -6.302 -5.075 17.189 1.00 0.60 C ATOM 111 O LEU 6 -5.774 -3.976 17.075 1.00 -0.57 O ATOM 112 CB LEU 6 -6.198 -6.265 19.396 1.00 -0.11 C ATOM 113 1HB LEU 6 -5.842 -7.137 18.850 1.00 0.05 H ATOM 114 2HB LEU 6 -5.329 -5.659 19.650 1.00 0.05 H ATOM 115 CG LEU 6 -6.836 -6.764 20.704 1.00 0.35 C ATOM 116 HG LEU 6 -7.701 -7.373 20.459 1.00 -0.04 H ATOM 117 CD1 LEU 6 -5.842 -7.650 21.455 1.00 -0.41 C ATOM 118 1HD1 LEU 6 -4.971 -7.063 21.755 1.00 0.10 H ATOM 119 2HD1 LEU 6 -6.320 -8.059 22.346 1.00 0.10 H ATOM 120 3HD1 LEU 6 -5.520 -8.469 20.817 1.00 0.10 H ATOM 121 CD2 LEU 6 -7.299 -5.627 21.614 1.00 -0.41 C ATOM 122 1HD2 LEU 6 -7.699 -6.038 22.542 1.00 0.10 H ATOM 123 2HD2 LEU 6 -6.463 -4.965 21.847 1.00 0.10 H ATOM 124 3HD2 LEU 6 -8.088 -5.059 21.125 1.00 0.10 H ATOM 125 N LEU 7 -6.259 -6.002 16.241 1.00 -0.42 N ATOM 126 H LEU 7 -6.706 -6.894 16.404 1.00 0.27 H ATOM 127 CA LEU 7 -5.554 -5.819 14.974 1.00 -0.05 C ATOM 128 HA LEU 7 -4.522 -5.540 15.186 1.00 0.09 H ATOM 129 C LEU 7 -6.159 -4.732 14.096 1.00 0.60 C ATOM 130 O LEU 7 -5.421 -3.940 13.511 1.00 -0.57 O ATOM 131 CB LEU 7 -5.573 -7.143 14.199 1.00 -0.11 C ATOM 132 1HB LEU 7 -5.151 -7.914 14.843 1.00 0.05 H ATOM 133 2HB LEU 7 -6.615 -7.401 14.014 1.00 0.05 H ATOM 134 CG LEU 7 -4.846 -7.197 12.846 1.00 0.35 C ATOM 135 HG LEU 7 -5.289 -6.456 12.185 1.00 -0.04 H ATOM 136 CD1 LEU 7 -3.350 -6.908 12.955 1.00 -0.41 C ATOM 137 1HD1 LEU 7 -3.199 -5.882 13.297 1.00 0.10 H ATOM 138 2HD1 LEU 7 -2.879 -7.595 13.658 1.00 0.10 H ATOM 139 3HD1 LEU 7 -2.879 -7.009 11.978 1.00 0.10 H ATOM 140 CD2 LEU 7 -5.057 -8.574 12.217 1.00 -0.41 C ATOM 141 1HD2 LEU 7 -4.559 -8.617 11.249 1.00 0.10 H ATOM 142 2HD2 LEU 7 -4.645 -9.351 12.864 1.00 0.10 H ATOM 143 3HD2 LEU 7 -6.122 -8.753 12.071 1.00 0.10 H ATOM 144 N LEU 8 -7.483 -4.665 14.024 1.00 -0.42 N ATOM 145 H LEU 8 -8.038 -5.335 14.548 1.00 0.27 H ATOM 146 CA LEU 8 -8.198 -3.687 13.188 1.00 -0.05 C ATOM 147 HA LEU 8 -7.640 -3.569 12.260 1.00 0.09 H ATOM 148 C LEU 8 -8.273 -2.290 13.816 1.00 0.60 C ATOM 149 O LEU 8 -9.316 -1.643 13.914 1.00 -0.57 O ATOM 150 CB LEU 8 -9.598 -4.200 12.832 1.00 -0.11 C ATOM 151 1HB LEU 8 -10.151 -4.348 13.759 1.00 0.05 H ATOM 152 2HB LEU 8 -10.102 -3.419 12.263 1.00 0.05 H ATOM 153 CG LEU 8 -9.685 -5.492 12.002 1.00 0.35 C ATOM 154 HG LEU 8 -9.196 -6.295 12.549 1.00 -0.04 H ATOM 155 CD1 LEU 8 -11.153 -5.869 11.813 1.00 -0.41 C ATOM 156 1HD1 LEU 8 -11.227 -6.803 11.259 1.00 0.10 H ATOM 157 2HD1 LEU 8 -11.625 -5.999 12.786 1.00 0.10 H ATOM 158 3HD1 LEU 8 -11.673 -5.081 11.264 1.00 0.10 H ATOM 159 CD2 LEU 8 -9.007 -5.376 10.633 1.00 -0.41 C ATOM 160 1HD2 LEU 8 -9.408 -4.515 10.091 1.00 0.10 H ATOM 161 2HD2 LEU 8 -7.938 -5.231 10.768 1.00 0.10 H ATOM 162 3HD2 LEU 8 -9.175 -6.282 10.055 1.00 0.10 H ATOM 163 N ARG 9 -7.119 -1.879 14.314 1.00 -0.35 N ATOM 164 H ARG 9 -6.374 -2.563 14.333 1.00 0.28 H ATOM 165 CA ARG 9 -6.834 -0.530 14.799 1.00 -0.26 C ATOM 166 HA ARG 9 -7.671 0.135 14.578 1.00 0.16 H ATOM 167 C ARG 9 -5.594 -0.019 14.078 1.00 0.73 C ATOM 168 O ARG 9 -5.301 1.171 14.093 1.00 -0.59 O ATOM 169 CB ARG 9 -6.592 -0.575 16.308 1.00 -0.00 C ATOM 170 1HB ARG 9 -5.755 -1.245 16.506 1.00 0.03 H ATOM 171 2HB ARG 9 -6.333 0.423 16.660 1.00 0.03 H ATOM 172 CG ARG 9 -7.812 -1.071 17.067 1.00 0.04 C ATOM 173 1HG ARG 9 -8.625 -0.355 16.946 1.00 0.03 H ATOM 174 2HG ARG 9 -8.130 -2.027 16.652 1.00 0.03 H ATOM 175 CD ARG 9 -7.551 -1.289 18.537 1.00 0.05 C ATOM 176 1HD ARG 9 -6.679 -1.937 18.648 1.00 0.07 H ATOM 177 2HD ARG 9 -7.365 -0.339 19.036 1.00 0.07 H ATOM 178 NE ARG 9 -8.729 -1.964 19.095 1.00 -0.53 N ATOM 179 HE ARG 9 -8.777 -2.969 18.952 1.00 0.35 H ATOM 180 CZ ARG 9 -9.774 -1.406 19.683 1.00 0.81 C ATOM 181 NH1 ARG 9 -10.777 -2.180 19.983 1.00 -0.86 N ATOM 182 1HH1 ARG 9 -10.737 -3.155 19.701 1.00 0.32 H ATOM 183 2HH1 ARG 9 -11.582 -1.820 20.460 1.00 0.32 H ATOM 184 NH2 ARG 9 -9.865 -0.131 19.969 1.00 -0.86 N ATOM 185 1HH2 ARG 9 -9.105 0.481 19.726 1.00 0.32 H ATOM 186 2HH2 ARG 9 -10.688 0.233 20.413 1.00 0.32 H ATOM 187 N LEU 10 -4.863 -0.947 13.473 1.00 -0.42 N ATOM 188 H LEU 10 -5.154 -1.913 13.508 1.00 0.27 H ATOM 189 CA LEU 10 -3.624 -0.670 12.746 1.00 -0.05 C ATOM 190 HA LEU 10 -3.478 0.404 12.643 1.00 0.09 H ATOM 191 C LEU 10 -3.744 -1.302 11.361 1.00 0.60 C ATOM 192 O LEU 10 -2.753 -1.524 10.662 1.00 -0.57 O ATOM 193 CB LEU 10 -2.438 -1.292 13.497 1.00 -0.11 C ATOM 194 1HB LEU 10 -2.614 -2.367 13.547 1.00 0.05 H ATOM 195 2HB LEU 10 -1.539 -1.130 12.903 1.00 0.05 H ATOM 196 CG LEU 10 -2.152 -0.800 14.925 1.00 0.35 C ATOM 197 HG LEU 10 -3.050 -0.928 15.528 1.00 -0.04 H ATOM 198 CD1 LEU 10 -1.044 -1.650 15.546 1.00 -0.41 C ATOM 199 1HD1 LEU 10 -1.351 -2.697 15.560 1.00 0.10 H ATOM 200 2HD1 LEU 10 -0.124 -1.551 14.967 1.00 0.10 H ATOM 201 3HD1 LEU 10 -0.863 -1.326 16.570 1.00 0.10 H ATOM 202 CD2 LEU 10 -1.749 0.675 14.970 1.00 -0.41 C ATOM 203 1HD2 LEU 10 -2.574 1.292 14.611 1.00 0.10 H ATOM 204 2HD2 LEU 10 -1.523 0.965 15.995 1.00 0.10 H ATOM 205 3HD2 LEU 10 -0.874 0.846 14.342 1.00 0.10 H ATOM 206 N LYS 11 -4.971 -1.655 11.009 1.00 -0.35 N ATOM 207 H LYS 11 -5.769 -1.395 11.584 1.00 0.28 H ATOM 208 CA LYS 11 -5.318 -2.382 9.796 1.00 -0.24 C ATOM 209 HA LYS 11 -4.767 -2.003 8.937 1.00 0.14 H ATOM 210 C LYS 11 -6.793 -2.048 9.674 1.00 0.73 C ATOM 211 O LYS 11 -7.410 -2.187 8.600 1.00 -0.59 O ATOM 212 OXT LYS 11 -7.298 -1.651 10.746 1.00 -0.59 O ATOM 213 CB LYS 11 -5.101 -3.887 9.991 1.00 -0.01 C ATOM 214 1HB LYS 11 -4.051 -4.059 10.230 1.00 0.04 H ATOM 215 2HB LYS 11 -5.709 -4.221 10.831 1.00 0.04 H ATOM 216 CG LYS 11 -5.470 -4.695 8.768 1.00 0.02 C ATOM 217 1HG LYS 11 -6.528 -4.550 8.559 1.00 0.01 H ATOM 218 2HG LYS 11 -4.889 -4.329 7.923 1.00 0.01 H ATOM 219 CD LYS 11 -5.224 -6.178 8.948 1.00 -0.05 C ATOM 220 1HD LYS 11 -4.153 -6.357 9.046 1.00 0.06 H ATOM 221 2HD LYS 11 -5.730 -6.519 9.851 1.00 0.06 H ATOM 222 CE LYS 11 -5.782 -6.939 7.752 1.00 -0.01 C ATOM 223 1HE LYS 11 -5.602 -8.007 7.894 1.00 0.11 H ATOM 224 2HE LYS 11 -6.862 -6.771 7.710 1.00 0.11 H ATOM 225 NZ LYS 11 -5.168 -6.483 6.457 1.00 -0.38 N ATOM 226 1HZ LYS 11 -5.564 -7.000 5.685 1.00 0.17 H ATOM 227 2HZ LYS 11 -5.358 -5.496 6.326 1.00 0.17 H ATOM 228 3HZ LYS 11 -4.167 -6.623 6.482 1.00 0.17 H TER 229 LYS 11 END
SEQUENCE	RLKLLLLLRLK
HELICITY	81.80	INSTAB. INDEX	3.45	FLEXIBILITY	7.82
a HYD. MOM.	8.26	b HYD. MOM.	3.51	c HYD. MOM	1.36
a MEAN HYD. MOM.	0.75	b MEAN HYD. MOM.	0.32	c MEAN HYD. MOM.	0.12
CHARGE pH5	4.00	CHARGE pH7	4.00	CHARGE pH9	3.77
Δ CHARGE pH5-pH9	0.23	ISOELECTRIC POINT	12.02	BOMAN INDEX	0.59
ΔG	0,47	CPP	0,43	MLP	-5,56
MOLECULAR VOLUME		POLARITY
MIC E. coli	20	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	1	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	1994
TITLE PAPER	Novel synthetic antimicrobial peptides effective against methicillin-resistant Staphylococcus aureus