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ID	764	NAME	novispirin t7   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\KNLRRITRKIIHIIKKYG.pdb REMARK YASARA Written on: Mon May 19 17:10:31 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 351 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 18 LYS ASN LEU ARG ARG ILE THR ARG LYS ILE ILE HIS ILE SEQRES 2 18 ILE LYS LYS TYR GLY ATOM 1 N LYS 1 -20.112 -17.654 34.760 1.00 -0.35 N ATOM 2 1H LYS 1 -20.158 -18.640 34.543 1.00 -0.35 H ATOM 3 2H LYS 1 -20.731 -17.459 35.536 1.00 -0.35 H ATOM 4 3H LYS 1 -20.417 -17.119 33.958 1.00 0.28 H ATOM 5 CA LYS 1 -18.710 -17.267 35.127 1.00 -0.24 C ATOM 6 HA LYS 1 -18.706 -16.203 35.365 1.00 0.14 H ATOM 7 C LYS 1 -17.738 -17.459 33.959 1.00 0.73 C ATOM 8 O LYS 1 -17.082 -16.505 33.582 1.00 -0.59 O ATOM 9 CB LYS 1 -18.199 -18.031 36.364 1.00 -0.01 C ATOM 10 1HB LYS 1 -18.260 -19.102 36.171 1.00 0.04 H ATOM 11 2HB LYS 1 -17.151 -17.769 36.506 1.00 0.04 H ATOM 12 CG LYS 1 -18.962 -17.715 37.665 1.00 0.02 C ATOM 13 1HG LYS 1 -18.947 -16.638 37.832 1.00 0.01 H ATOM 14 2HG LYS 1 -19.998 -18.027 37.537 1.00 0.01 H ATOM 15 CD LYS 1 -18.405 -18.417 38.924 1.00 -0.05 C ATOM 16 1HD LYS 1 -19.153 -18.326 39.714 1.00 0.06 H ATOM 17 2HD LYS 1 -18.264 -19.478 38.710 1.00 0.06 H ATOM 18 CE LYS 1 -17.085 -17.819 39.447 1.00 -0.01 C ATOM 19 1HE LYS 1 -16.311 -17.923 38.683 1.00 0.11 H ATOM 20 2HE LYS 1 -17.235 -16.753 39.642 1.00 0.11 H ATOM 21 NZ LYS 1 -16.613 -18.483 40.723 1.00 -0.38 N ATOM 22 1HZ LYS 1 -17.308 -18.371 41.451 1.00 0.17 H ATOM 23 2HZ LYS 1 -16.454 -19.470 40.569 1.00 0.17 H ATOM 24 3HZ LYS 1 -15.748 -18.058 41.035 1.00 0.17 H ATOM 25 N ASN 2 -17.611 -18.657 33.391 1.00 -0.42 N ATOM 26 H ASN 2 -18.209 -19.425 33.655 1.00 0.27 H ATOM 27 CA ASN 2 -16.535 -18.959 32.428 1.00 0.01 C ATOM 28 HA ASN 2 -15.583 -18.881 32.957 1.00 0.10 H ATOM 29 C ASN 2 -16.388 -18.095 31.168 1.00 0.60 C ATOM 30 O ASN 2 -15.288 -17.953 30.644 1.00 -0.57 O ATOM 31 CB ASN 2 -16.700 -20.412 31.956 1.00 -0.20 C ATOM 32 1HB ASN 2 -16.798 -21.068 32.819 1.00 0.08 H ATOM 33 2HB ASN 2 -17.600 -20.489 31.347 1.00 0.08 H ATOM 34 CG ASN 2 -15.526 -20.890 31.127 1.00 0.71 C ATOM 35 OD1 ASN 2 -14.381 -20.765 31.534 1.00 -0.59 O ATOM 36 ND2 ASN 2 -15.795 -21.446 29.979 1.00 -0.92 N ATOM 37 1HD2 ASN 2 -15.031 -21.765 29.405 1.00 0.42 H ATOM 38 2HD2 ASN 2 -16.744 -21.564 29.669 1.00 0.42 H ATOM 39 N LEU 3 -17.476 -17.518 30.676 1.00 -0.42 N ATOM 40 H LEU 3 -18.340 -17.553 31.184 1.00 0.27 H ATOM 41 CA LEU 3 -17.482 -16.894 29.351 1.00 -0.05 C ATOM 42 HA LEU 3 -17.245 -17.671 28.624 1.00 0.09 H ATOM 43 C LEU 3 -16.459 -15.789 29.116 1.00 0.60 C ATOM 44 O LEU 3 -15.980 -15.654 28.001 1.00 -0.57 O ATOM 45 CB LEU 3 -18.876 -16.347 29.025 1.00 -0.11 C ATOM 46 1HB LEU 3 -19.113 -15.575 29.756 1.00 0.05 H ATOM 47 2HB LEU 3 -18.819 -15.865 28.047 1.00 0.05 H ATOM 48 CG LEU 3 -20.049 -17.340 28.981 1.00 0.35 C ATOM 49 HG LEU 3 -20.109 -17.849 29.943 1.00 -0.04 H ATOM 50 CD1 LEU 3 -21.352 -16.580 28.768 1.00 -0.41 C ATOM 51 1HD1 LEU 3 -21.335 -16.061 27.805 1.00 0.10 H ATOM 52 2HD1 LEU 3 -22.194 -17.274 28.772 1.00 0.10 H ATOM 53 3HD1 LEU 3 -21.502 -15.847 29.560 1.00 0.10 H ATOM 54 CD2 LEU 3 -19.885 -18.395 27.888 1.00 -0.41 C ATOM 55 1HD2 LEU 3 -20.759 -19.049 27.869 1.00 0.10 H ATOM 56 2HD2 LEU 3 -19.790 -17.914 26.911 1.00 0.10 H ATOM 57 3HD2 LEU 3 -19.003 -19.006 28.072 1.00 0.10 H ATOM 58 N ARG 4 -16.035 -15.046 30.132 1.00 -0.35 N ATOM 59 H ARG 4 -16.405 -15.205 31.057 1.00 0.28 H ATOM 60 CA ARG 4 -15.014 -14.008 29.916 1.00 -0.26 C ATOM 61 HA ARG 4 -15.385 -13.301 29.173 1.00 0.16 H ATOM 62 C ARG 4 -13.703 -14.571 29.368 1.00 0.73 C ATOM 63 O ARG 4 -13.006 -13.900 28.606 1.00 -0.59 O ATOM 64 CB ARG 4 -14.718 -13.238 31.208 1.00 -0.00 C ATOM 65 1HB ARG 4 -14.492 -13.947 32.004 1.00 0.03 H ATOM 66 2HB ARG 4 -13.832 -12.626 31.035 1.00 0.03 H ATOM 67 CG ARG 4 -15.840 -12.307 31.660 1.00 0.04 C ATOM 68 1HG ARG 4 -16.073 -11.618 30.848 1.00 0.03 H ATOM 69 2HG ARG 4 -16.730 -12.889 31.899 1.00 0.03 H ATOM 70 CD ARG 4 -15.412 -11.502 32.888 1.00 0.05 C ATOM 71 1HD ARG 4 -15.191 -12.196 33.700 1.00 0.07 H ATOM 72 2HD ARG 4 -14.500 -10.952 32.656 1.00 0.07 H ATOM 73 NE ARG 4 -16.450 -10.556 33.337 1.00 -0.53 N ATOM 74 HE ARG 4 -17.092 -10.896 34.032 1.00 0.35 H ATOM 75 CZ ARG 4 -16.604 -9.298 32.937 1.00 0.81 C ATOM 76 NH1 ARG 4 -17.589 -8.600 33.430 1.00 -0.86 N ATOM 77 1HH1 ARG 4 -18.214 -9.001 34.107 1.00 0.32 H ATOM 78 2HH1 ARG 4 -17.728 -7.648 33.134 1.00 0.32 H ATOM 79 NH2 ARG 4 -15.817 -8.701 32.077 1.00 -0.86 N ATOM 80 1HH2 ARG 4 -15.038 -9.201 31.688 1.00 0.32 H ATOM 81 2HH2 ARG 4 -15.984 -7.745 31.815 1.00 0.32 H ATOM 82 N ARG 5 -13.390 -15.819 29.696 1.00 -0.35 N ATOM 83 H ARG 5 -14.032 -16.365 30.262 1.00 0.28 H ATOM 84 CA ARG 5 -12.142 -16.437 29.241 1.00 -0.26 C ATOM 85 HA ARG 5 -11.333 -15.733 29.434 1.00 0.16 H ATOM 86 C ARG 5 -12.133 -16.718 27.744 1.00 0.73 C ATOM 87 O ARG 5 -11.052 -16.846 27.164 1.00 -0.59 O ATOM 88 CB ARG 5 -11.852 -17.727 30.020 1.00 -0.00 C ATOM 89 1HB ARG 5 -12.646 -18.451 29.832 1.00 0.03 H ATOM 90 2HB ARG 5 -10.913 -18.141 29.651 1.00 0.03 H ATOM 91 CG ARG 5 -11.721 -17.505 31.529 1.00 0.04 C ATOM 92 1HG ARG 5 -11.169 -16.580 31.695 1.00 0.03 H ATOM 93 2HG ARG 5 -12.714 -17.403 31.968 1.00 0.03 H ATOM 94 CD ARG 5 -10.970 -18.635 32.233 1.00 0.05 C ATOM 95 1HD ARG 5 -9.994 -18.754 31.760 1.00 0.07 H ATOM 96 2HD ARG 5 -10.815 -18.348 33.275 1.00 0.07 H ATOM 97 NE ARG 5 -11.676 -19.925 32.204 1.00 -0.53 N ATOM 98 HE ARG 5 -12.591 -19.948 31.763 1.00 0.35 H ATOM 99 CZ ARG 5 -11.243 -21.073 32.709 1.00 0.81 C ATOM 100 NH1 ARG 5 -12.002 -22.123 32.589 1.00 -0.86 N ATOM 101 1HH1 ARG 5 -12.904 -22.025 32.137 1.00 0.32 H ATOM 102 2HH1 ARG 5 -11.705 -23.015 32.945 1.00 0.32 H ATOM 103 NH2 ARG 5 -10.099 -21.215 33.332 1.00 -0.86 N ATOM 104 1HH2 ARG 5 -9.499 -20.420 33.458 1.00 0.32 H ATOM 105 2HH2 ARG 5 -9.827 -22.114 33.691 1.00 0.32 H ATOM 106 N ILE 6 -13.306 -16.771 27.127 1.00 -0.42 N ATOM 107 H ILE 6 -14.157 -16.698 27.670 1.00 0.27 H ATOM 108 CA ILE 6 -13.429 -16.945 25.677 1.00 -0.06 C ATOM 109 HA ILE 6 -12.430 -17.093 25.270 1.00 0.09 H ATOM 110 C ILE 6 -13.996 -15.710 24.973 1.00 0.60 C ATOM 111 O ILE 6 -13.809 -15.553 23.777 1.00 -0.57 O ATOM 112 CB ILE 6 -14.248 -18.219 25.312 1.00 0.13 C ATOM 113 HB ILE 6 -14.242 -18.320 24.226 1.00 0.02 H ATOM 114 CG1 ILE 6 -15.714 -18.101 25.780 1.00 -0.04 C ATOM 115 1HG1 ILE 6 -15.736 -18.126 26.868 1.00 0.02 H ATOM 116 2HG1 ILE 6 -16.112 -17.141 25.455 1.00 0.02 H ATOM 117 CG2 ILE 6 -13.563 -19.472 25.920 1.00 -0.32 C ATOM 118 1HG2 ILE 6 -12.505 -19.483 25.659 1.00 0.09 H ATOM 119 2HG2 ILE 6 -13.667 -19.480 27.006 1.00 0.09 H ATOM 120 3HG2 ILE 6 -14.023 -20.376 25.515 1.00 0.09 H ATOM 121 CD1 ILE 6 -16.659 -19.186 25.257 1.00 -0.07 C ATOM 122 1HD1 ILE 6 -17.678 -18.956 25.568 1.00 0.02 H ATOM 123 2HD1 ILE 6 -16.623 -19.217 24.167 1.00 0.02 H ATOM 124 3HD1 ILE 6 -16.380 -20.161 25.658 1.00 0.02 H ATOM 125 N THR 7 -14.593 -14.780 25.707 1.00 -0.42 N ATOM 126 H THR 7 -14.761 -14.958 26.689 1.00 0.27 H ATOM 127 CA THR 7 -15.076 -13.517 25.134 1.00 -0.04 C ATOM 128 HA THR 7 -15.760 -13.732 24.313 1.00 0.10 H ATOM 129 C THR 7 -13.894 -12.719 24.598 1.00 0.60 C ATOM 130 O THR 7 -13.947 -12.101 23.537 1.00 -0.57 O ATOM 131 CB THR 7 -15.817 -12.667 26.198 1.00 0.37 C ATOM 132 HB THR 7 -15.125 -12.406 26.998 1.00 0.00 H ATOM 133 OG1 THR 7 -16.905 -13.417 26.743 1.00 -0.68 O ATOM 134 HG1 THR 7 -16.590 -14.293 27.002 1.00 0.41 H ATOM 135 CG2 THR 7 -16.421 -11.400 25.620 1.00 -0.24 C ATOM 136 1HG2 THR 7 -17.066 -11.652 24.776 1.00 0.06 H ATOM 137 2HG2 THR 7 -17.021 -10.913 26.388 1.00 0.06 H ATOM 138 3HG2 THR 7 -15.632 -10.722 25.299 1.00 0.06 H ATOM 139 N ARG 8 -12.770 -12.800 25.297 1.00 -0.35 N ATOM 140 H ARG 8 -12.773 -13.306 26.176 1.00 0.28 H ATOM 141 CA ARG 8 -11.525 -12.182 24.830 1.00 -0.26 C ATOM 142 HA ARG 8 -11.725 -11.142 24.569 1.00 0.16 H ATOM 143 C ARG 8 -10.943 -12.848 23.581 1.00 0.73 C ATOM 144 O ARG 8 -10.059 -12.285 22.948 1.00 -0.59 O ATOM 145 CB ARG 8 -10.495 -12.208 25.967 1.00 -0.00 C ATOM 146 1HB ARG 8 -9.606 -11.661 25.654 1.00 0.03 H ATOM 147 2HB ARG 8 -10.926 -11.699 26.829 1.00 0.03 H ATOM 148 CG ARG 8 -10.088 -13.613 26.396 1.00 0.04 C ATOM 149 1HG ARG 8 -10.982 -14.177 26.655 1.00 0.03 H ATOM 150 2HG ARG 8 -9.584 -14.111 25.570 1.00 0.03 H ATOM 151 CD ARG 8 -9.166 -13.621 27.595 1.00 0.05 C ATOM 152 1HD ARG 8 -8.232 -13.123 27.335 1.00 0.07 H ATOM 153 2HD ARG 8 -9.646 -13.093 28.421 1.00 0.07 H ATOM 154 NE ARG 8 -8.905 -15.012 27.990 1.00 -0.53 N ATOM 155 HE ARG 8 -9.399 -15.724 27.460 1.00 0.35 H ATOM 156 CZ ARG 8 -8.118 -15.427 28.973 1.00 0.81 C ATOM 157 NH1 ARG 8 -7.997 -16.711 29.164 1.00 -0.86 N ATOM 158 1HH1 ARG 8 -8.503 -17.354 28.577 1.00 0.32 H ATOM 159 2HH1 ARG 8 -7.392 -17.058 29.889 1.00 0.32 H ATOM 160 NH2 ARG 8 -7.455 -14.622 29.764 1.00 -0.86 N ATOM 161 1HH2 ARG 8 -7.539 -13.627 29.643 1.00 0.32 H ATOM 162 2HH2 ARG 8 -6.867 -14.992 30.492 1.00 0.32 H ATOM 163 N LYS 9 -11.422 -14.039 23.239 1.00 -0.35 N ATOM 164 H LYS 9 -12.196 -14.434 23.761 1.00 0.28 H ATOM 165 CA LYS 9 -10.902 -14.823 22.114 1.00 -0.24 C ATOM 166 HA LYS 9 -9.940 -14.411 21.811 1.00 0.14 H ATOM 167 C LYS 9 -11.818 -14.785 20.898 1.00 0.73 C ATOM 168 O LYS 9 -11.541 -15.459 19.912 1.00 -0.59 O ATOM 169 CB LYS 9 -10.704 -16.292 22.499 1.00 -0.01 C ATOM 170 1HB LYS 9 -11.669 -16.720 22.770 1.00 0.04 H ATOM 171 2HB LYS 9 -10.344 -16.809 21.617 1.00 0.04 H ATOM 172 CG LYS 9 -9.719 -16.536 23.634 1.00 0.02 C ATOM 173 1HG LYS 9 -8.775 -16.046 23.405 1.00 0.01 H ATOM 174 2HG LYS 9 -10.128 -16.098 24.542 1.00 0.01 H ATOM 175 CD LYS 9 -9.454 -18.025 23.899 1.00 -0.05 C ATOM 176 1HD LYS 9 -9.029 -18.103 24.900 1.00 0.06 H ATOM 177 2HD LYS 9 -10.399 -18.570 23.892 1.00 0.06 H ATOM 178 CE LYS 9 -8.458 -18.688 22.919 1.00 -0.01 C ATOM 179 1HE LYS 9 -7.577 -18.046 22.841 1.00 0.11 H ATOM 180 2HE LYS 9 -8.134 -19.630 23.368 1.00 0.11 H ATOM 181 NZ LYS 9 -8.962 -18.993 21.525 1.00 -0.38 N ATOM 182 1HZ LYS 9 -9.765 -19.605 21.574 1.00 0.17 H ATOM 183 2HZ LYS 9 -9.230 -18.136 21.058 1.00 0.17 H ATOM 184 3HZ LYS 9 -8.235 -19.444 20.986 1.00 0.17 H ATOM 185 N ILE 10 -12.884 -14.002 20.954 1.00 -0.42 N ATOM 186 H ILE 10 -13.095 -13.490 21.799 1.00 0.27 H ATOM 187 CA ILE 10 -13.764 -13.801 19.805 1.00 -0.06 C ATOM 188 HA ILE 10 -13.309 -14.236 18.915 1.00 0.09 H ATOM 189 C ILE 10 -13.807 -12.291 19.628 1.00 0.60 C ATOM 190 O ILE 10 -13.810 -11.586 20.633 1.00 -0.57 O ATOM 191 CB ILE 10 -15.174 -14.456 20.003 1.00 0.13 C ATOM 192 HB ILE 10 -15.767 -14.253 19.110 1.00 0.02 H ATOM 193 CG1 ILE 10 -15.921 -13.873 21.222 1.00 -0.04 C ATOM 194 1HG1 ILE 10 -15.367 -14.126 22.122 1.00 0.02 H ATOM 195 2HG1 ILE 10 -15.946 -12.789 21.134 1.00 0.02 H ATOM 196 CG2 ILE 10 -15.015 -15.993 20.138 1.00 -0.32 C ATOM 197 1HG2 ILE 10 -14.393 -16.377 19.328 1.00 0.09 H ATOM 198 2HG2 ILE 10 -14.551 -16.246 21.094 1.00 0.09 H ATOM 199 3HG2 ILE 10 -15.990 -16.478 20.077 1.00 0.09 H ATOM 200 CD1 ILE 10 -17.368 -14.344 21.409 1.00 -0.07 C ATOM 201 1HD1 ILE 10 -17.941 -14.160 20.499 1.00 0.02 H ATOM 202 2HD1 ILE 10 -17.393 -15.408 21.647 1.00 0.02 H ATOM 203 3HD1 ILE 10 -17.823 -13.793 22.233 1.00 0.02 H ATOM 204 N ILE 11 -13.773 -11.828 18.380 1.00 -0.42 N ATOM 205 H ILE 11 -13.737 -12.522 17.646 1.00 0.27 H ATOM 206 CA ILE 11 -13.789 -10.419 17.905 1.00 -0.06 C ATOM 207 HA ILE 11 -13.424 -10.487 16.880 1.00 0.09 H ATOM 208 C ILE 11 -12.895 -9.311 18.508 1.00 0.60 C ATOM 209 O ILE 11 -12.421 -8.433 17.801 1.00 -0.57 O ATOM 210 CB ILE 11 -15.254 -9.880 17.755 1.00 0.13 C ATOM 211 HB ILE 11 -15.198 -8.929 17.224 1.00 0.02 H ATOM 212 CG1 ILE 11 -15.932 -9.618 19.118 1.00 -0.04 C ATOM 213 1HG1 ILE 11 -16.110 -10.573 19.611 1.00 0.02 H ATOM 214 2HG1 ILE 11 -15.255 -9.037 19.738 1.00 0.02 H ATOM 215 CG2 ILE 11 -16.089 -10.862 16.889 1.00 -0.32 C ATOM 216 1HG2 ILE 11 -17.034 -10.395 16.609 1.00 0.09 H ATOM 217 2HG2 ILE 11 -15.552 -11.102 15.970 1.00 0.09 H ATOM 218 3HG2 ILE 11 -16.302 -11.782 17.436 1.00 0.09 H ATOM 219 CD1 ILE 11 -17.261 -8.856 19.056 1.00 -0.07 C ATOM 220 1HD1 ILE 11 -17.125 -7.911 18.527 1.00 0.02 H ATOM 221 2HD1 ILE 11 -18.016 -9.453 18.542 1.00 0.02 H ATOM 222 3HD1 ILE 11 -17.608 -8.651 20.068 1.00 0.02 H ATOM 223 N HIS 12 -12.589 -9.379 19.792 1.00 -0.35 N ATOM 224 H HIS 12 -12.991 -10.145 20.323 1.00 0.28 H ATOM 225 CA HIS 12 -11.738 -8.431 20.505 1.00 -0.14 C ATOM 226 HA HIS 12 -11.972 -7.416 20.186 1.00 0.12 H ATOM 227 C HIS 12 -10.272 -8.719 20.225 1.00 0.73 C ATOM 228 O HIS 12 -9.388 -7.990 20.658 1.00 -0.59 O ATOM 229 CB HIS 12 -12.003 -8.585 22.008 1.00 -0.04 C ATOM 230 1HB HIS 12 -11.705 -9.589 22.315 1.00 0.08 H ATOM 231 2HB HIS 12 -11.385 -7.867 22.549 1.00 0.08 H ATOM 232 CG HIS 12 -13.439 -8.379 22.383 1.00 -0.00 C ATOM 233 ND1 HIS 12 -14.339 -9.421 22.593 1.00 -0.15 N ATOM 234 HD1 HIS 12 -14.119 -10.424 22.537 1.00 0.14 H ATOM 235 CD2 HIS 12 -14.167 -7.250 22.580 1.00 -0.11 C ATOM 236 HD2 HIS 12 -13.789 -6.237 22.507 1.00 0.23 H ATOM 237 CE1 HIS 12 -15.533 -8.919 22.867 1.00 -0.02 C ATOM 238 HE1 HIS 12 -16.430 -9.501 23.055 1.00 0.27 H ATOM 239 NE2 HIS 12 -15.453 -7.609 22.873 1.00 -0.17 N ATOM 240 HE2 HIS 12 -16.219 -6.967 23.054 1.00 0.14 H ATOM 241 N ILE 13 -10.045 -9.805 19.503 1.00 -0.42 N ATOM 242 H ILE 13 -10.826 -10.296 19.109 1.00 0.27 H ATOM 243 CA ILE 13 -8.721 -10.362 19.254 1.00 -0.06 C ATOM 244 HA ILE 13 -8.263 -10.568 20.219 1.00 0.09 H ATOM 245 C ILE 13 -7.778 -9.404 18.539 1.00 0.60 C ATOM 246 O ILE 13 -6.589 -9.416 18.820 1.00 -0.57 O ATOM 247 CB ILE 13 -8.854 -11.715 18.500 1.00 0.13 C ATOM 248 HB ILE 13 -7.855 -12.132 18.367 1.00 0.02 H ATOM 249 CG1 ILE 13 -9.521 -11.543 17.116 1.00 -0.04 C ATOM 250 1HG1 ILE 13 -10.557 -11.236 17.253 1.00 0.02 H ATOM 251 2HG1 ILE 13 -9.004 -10.754 16.573 1.00 0.02 H ATOM 252 CG2 ILE 13 -9.681 -12.691 19.360 1.00 -0.32 C ATOM 253 1HG2 ILE 13 -9.324 -12.674 20.389 1.00 0.09 H ATOM 254 2HG2 ILE 13 -10.736 -12.430 19.344 1.00 0.09 H ATOM 255 3HG2 ILE 13 -9.563 -13.704 18.972 1.00 0.09 H ATOM 256 CD1 ILE 13 -9.503 -12.790 16.225 1.00 -0.07 C ATOM 257 1HD1 ILE 13 -10.094 -13.591 16.669 1.00 0.02 H ATOM 258 2HD1 ILE 13 -9.919 -12.539 15.249 1.00 0.02 H ATOM 259 3HD1 ILE 13 -8.472 -13.125 16.088 1.00 0.02 H ATOM 260 N ILE 14 -8.317 -8.479 17.757 1.00 -0.42 N ATOM 261 H ILE 14 -9.305 -8.513 17.574 1.00 0.27 H ATOM 262 CA ILE 14 -7.538 -7.429 17.098 1.00 -0.06 C ATOM 263 HA ILE 14 -6.774 -7.917 16.487 1.00 0.09 H ATOM 264 C ILE 14 -6.792 -6.516 18.092 1.00 0.60 C ATOM 265 O ILE 14 -5.855 -5.807 17.737 1.00 -0.57 O ATOM 266 CB ILE 14 -8.507 -6.648 16.150 1.00 0.13 C ATOM 267 HB ILE 14 -9.046 -7.396 15.567 1.00 0.02 H ATOM 268 CG1 ILE 14 -7.769 -5.741 15.147 1.00 -0.04 C ATOM 269 1HG1 ILE 14 -8.516 -5.152 14.615 1.00 0.02 H ATOM 270 2HG1 ILE 14 -7.129 -5.048 15.689 1.00 0.02 H ATOM 271 CG2 ILE 14 -9.572 -5.847 16.947 1.00 -0.32 C ATOM 272 1HG2 ILE 14 -9.096 -5.086 17.559 1.00 0.09 H ATOM 273 2HG2 ILE 14 -10.261 -5.370 16.247 1.00 0.09 H ATOM 274 3HG2 ILE 14 -10.152 -6.517 17.582 1.00 0.09 H ATOM 275 CD1 ILE 14 -6.922 -6.475 14.101 1.00 -0.07 C ATOM 276 1HD1 ILE 14 -7.532 -7.205 13.568 1.00 0.02 H ATOM 277 2HD1 ILE 14 -6.521 -5.757 13.387 1.00 0.02 H ATOM 278 3HD1 ILE 14 -6.089 -6.993 14.582 1.00 0.02 H ATOM 279 N LYS 15 -7.175 -6.548 19.365 1.00 -0.35 N ATOM 280 H LYS 15 -7.975 -7.120 19.624 1.00 0.28 H ATOM 281 CA LYS 15 -6.457 -5.841 20.432 1.00 -0.24 C ATOM 282 HA LYS 15 -5.494 -5.503 20.046 1.00 0.14 H ATOM 283 C LYS 15 -6.157 -6.804 21.578 1.00 0.73 C ATOM 284 O LYS 15 -6.115 -6.419 22.745 1.00 -0.59 O ATOM 285 CB LYS 15 -7.251 -4.612 20.888 1.00 -0.01 C ATOM 286 1HB LYS 15 -8.272 -4.910 21.126 1.00 0.04 H ATOM 287 2HB LYS 15 -6.785 -4.198 21.782 1.00 0.04 H ATOM 288 CG LYS 15 -7.260 -3.525 19.818 1.00 0.02 C ATOM 289 1HG LYS 15 -6.227 -3.247 19.609 1.00 0.01 H ATOM 290 2HG LYS 15 -7.702 -3.926 18.909 1.00 0.01 H ATOM 291 CD LYS 15 -8.023 -2.280 20.224 1.00 -0.05 C ATOM 292 1HD LYS 15 -9.081 -2.523 20.335 1.00 0.06 H ATOM 293 2HD LYS 15 -7.641 -1.921 21.181 1.00 0.06 H ATOM 294 CE LYS 15 -7.848 -1.182 19.177 1.00 -0.01 C ATOM 295 1HE LYS 15 -8.394 -0.294 19.504 1.00 0.11 H ATOM 296 2HE LYS 15 -6.787 -0.928 19.116 1.00 0.11 H ATOM 297 NZ LYS 15 -8.330 -1.599 17.808 1.00 -0.38 N ATOM 298 1HZ LYS 15 -7.813 -2.413 17.498 1.00 0.17 H ATOM 299 2HZ LYS 15 -9.314 -1.827 17.844 1.00 0.17 H ATOM 300 3HZ LYS 15 -8.186 -0.847 17.147 1.00 0.17 H ATOM 301 N LYS 16 -5.966 -8.071 21.237 1.00 -0.35 N ATOM 302 H LYS 16 -6.023 -8.328 20.253 1.00 0.28 H ATOM 303 CA LYS 16 -5.660 -9.107 22.229 1.00 -0.24 C ATOM 304 HA LYS 16 -5.200 -8.605 23.074 1.00 0.14 H ATOM 305 C LYS 16 -4.684 -10.196 21.784 1.00 0.73 C ATOM 306 O LYS 16 -3.859 -10.614 22.596 1.00 -0.59 O ATOM 307 CB LYS 16 -6.966 -9.761 22.710 1.00 -0.01 C ATOM 308 1HB LYS 16 -7.795 -9.228 22.252 1.00 0.04 H ATOM 309 2HB LYS 16 -6.999 -10.785 22.349 1.00 0.04 H ATOM 310 CG LYS 16 -7.210 -9.769 24.227 1.00 0.02 C ATOM 311 1HG LYS 16 -7.218 -8.742 24.591 1.00 0.01 H ATOM 312 2HG LYS 16 -8.197 -10.196 24.401 1.00 0.01 H ATOM 313 CD LYS 16 -6.188 -10.585 25.034 1.00 -0.05 C ATOM 314 1HD LYS 16 -6.713 -11.107 25.834 1.00 0.06 H ATOM 315 2HD LYS 16 -5.733 -11.329 24.382 1.00 0.06 H ATOM 316 CE LYS 16 -5.095 -9.702 25.658 1.00 -0.01 C ATOM 317 1HE LYS 16 -5.151 -8.704 25.215 1.00 0.11 H ATOM 318 2HE LYS 16 -5.276 -9.609 26.731 1.00 0.11 H ATOM 319 NZ LYS 16 -3.717 -10.259 25.417 1.00 -0.38 N ATOM 320 1HZ LYS 16 -3.619 -11.159 25.861 1.00 0.17 H ATOM 321 2HZ LYS 16 -3.571 -10.375 24.414 1.00 0.17 H ATOM 322 3HZ LYS 16 -3.016 -9.624 25.774 1.00 0.17 H ATOM 323 N TYR 17 -4.782 -10.666 20.550 1.00 -0.42 N ATOM 324 H TYR 17 -5.472 -10.272 19.918 1.00 0.27 H ATOM 325 CA TYR 17 -3.935 -11.749 20.042 1.00 -0.00 C ATOM 326 HA TYR 17 -3.070 -11.865 20.693 1.00 0.09 H ATOM 327 C TYR 17 -3.422 -11.471 18.626 1.00 0.60 C ATOM 328 O TYR 17 -2.255 -11.716 18.335 1.00 -0.57 O ATOM 329 CB TYR 17 -4.724 -13.065 20.032 1.00 -0.01 C ATOM 330 1HB TYR 17 -5.585 -12.954 19.372 1.00 0.03 H ATOM 331 2HB TYR 17 -4.083 -13.847 19.624 1.00 0.03 H ATOM 332 CG TYR 17 -5.213 -13.503 21.401 1.00 -0.00 C ATOM 333 CD1 TYR 17 -6.571 -13.379 21.758 1.00 -0.19 C ATOM 334 HD1 TYR 17 -7.270 -12.971 21.045 1.00 0.17 H ATOM 335 CD2 TYR 17 -4.319 -14.041 22.350 1.00 -0.19 C ATOM 336 HD2 TYR 17 -3.272 -14.145 22.097 1.00 0.17 H ATOM 337 CE1 TYR 17 -7.028 -13.772 23.046 1.00 -0.23 C ATOM 338 HE1 TYR 17 -8.065 -13.658 23.313 1.00 0.17 H ATOM 339 CE2 TYR 17 -4.775 -14.443 23.639 1.00 -0.23 C ATOM 340 HE2 TYR 17 -4.078 -14.859 24.350 1.00 0.17 H ATOM 341 CZ TYR 17 -6.128 -14.303 23.969 1.00 0.32 C ATOM 342 OH TYR 17 -6.570 -14.691 25.211 1.00 -0.56 O ATOM 343 HH TYR 17 -5.863 -15.068 25.739 1.00 0.40 H ATOM 344 N GLY 18 -4.296 -10.953 17.775 1.00 -0.42 N ATOM 345 H GLY 18 -5.270 -10.814 18.029 1.00 0.27 H ATOM 346 CA GLY 18 -3.997 -10.610 16.397 1.00 -0.03 C ATOM 347 1HA GLY 18 -3.479 -9.655 16.331 1.00 0.07 H ATOM 348 2HA GLY 18 -3.439 -11.403 15.902 1.00 0.07 H ATOM 349 C GLY 18 -5.384 -10.493 15.808 1.00 0.60 C ATOM 350 O GLY 18 -5.604 -9.791 14.806 1.00 -0.57 O ATOM 351 OXT GLY 18 -6.284 -11.088 16.440 1.00 -0.57 O TER 352 GLY 18 END
SEQUENCE	KNLRRITRKIIHIIKKYG
HELICITY	61.10	INSTAB. INDEX	69.08	FLEXIBILITY	7.32
a HYD. MOM.	83.50	b HYD. MOM.	37.49	c HYD. MOM	9.47
a MEAN HYD. MOM.	4.64	b MEAN HYD. MOM.	2.08	c MEAN HYD. MOM.	0.53
CHARGE pH5	7.91	CHARGE pH7	7.09	CHARGE pH9	6.62
Δ CHARGE pH5-pH9	1.29	ISOELECTRIC POINT	11.75	BOMAN INDEX	2.81
ΔG	14	CPP	0,14	MLP	-13,15
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa	7	MIC S. typhimurium
MIC S. aureus		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	2002
TITLE PAPER	Impact of single-residue mutations on the structure and function of ovispirin/novispirin antimicrobial peptides