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ID	547	NAME	Oncorhyncin-1   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\SKGKKANKDVELARG.pdb REMARK YASARA Written on: Wed May 14 18:21:02 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 236 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 15 SER LYS GLY LYS LYS ALA ASN LYS ASP VAL GLU LEU ALA SEQRES 2 15 ARG GLY ATOM 1 N SER 1 -16.338 -23.663 15.466 1.00 -0.42 N ATOM 2 1H SER 1 -16.307 -24.669 15.381 1.00 -0.42 H ATOM 3 2H SER 1 -16.867 -23.271 14.699 1.00 -0.42 H ATOM 4 3H SER 1 -15.397 -23.294 15.440 1.00 0.27 H ATOM 5 CA SER 1 -16.977 -23.283 16.757 1.00 -0.03 C ATOM 6 HA SER 1 -17.981 -23.702 16.809 1.00 0.08 H ATOM 7 C SER 1 -17.061 -21.771 16.836 1.00 0.60 C ATOM 8 O SER 1 -16.623 -21.123 15.896 1.00 -0.57 O ATOM 9 CB SER 1 -16.131 -23.825 17.909 1.00 0.21 C ATOM 10 1HB SER 1 -16.557 -23.516 18.864 1.00 0.04 H ATOM 11 2HB SER 1 -16.110 -24.914 17.861 1.00 0.04 H ATOM 12 OG SER 1 -14.811 -23.328 17.790 1.00 -0.65 O ATOM 13 HG SER 1 -14.276 -23.663 18.524 1.00 0.43 H ATOM 14 N LYS 2 -17.587 -21.187 17.910 1.00 -0.35 N ATOM 15 H LYS 2 -17.933 -21.746 18.677 1.00 0.28 H ATOM 16 CA LYS 2 -17.643 -19.722 18.050 1.00 -0.24 C ATOM 17 HA LYS 2 -17.840 -19.275 17.073 1.00 0.14 H ATOM 18 C LYS 2 -16.298 -19.178 18.545 1.00 0.73 C ATOM 19 O LYS 2 -16.188 -18.668 19.655 1.00 -0.59 O ATOM 20 CB LYS 2 -18.769 -19.305 19.010 1.00 -0.01 C ATOM 21 1HB LYS 2 -18.598 -19.770 19.982 1.00 0.04 H ATOM 22 2HB LYS 2 -18.728 -18.221 19.133 1.00 0.04 H ATOM 23 CG LYS 2 -20.175 -19.670 18.527 1.00 0.02 C ATOM 24 1HG LYS 2 -20.330 -19.244 17.536 1.00 0.01 H ATOM 25 2HG LYS 2 -20.269 -20.754 18.466 1.00 0.01 H ATOM 26 CD LYS 2 -21.248 -19.127 19.473 1.00 -0.05 C ATOM 27 1HD LYS 2 -21.078 -19.529 20.473 1.00 0.06 H ATOM 28 2HD LYS 2 -21.169 -18.040 19.510 1.00 0.06 H ATOM 29 CE LYS 2 -22.654 -19.514 19.004 1.00 -0.01 C ATOM 30 1HE LYS 2 -22.801 -19.139 17.988 1.00 0.11 H ATOM 31 2HE LYS 2 -22.732 -20.603 18.982 1.00 0.11 H ATOM 32 NZ LYS 2 -23.736 -18.958 19.896 1.00 -0.38 N ATOM 33 1HZ LYS 2 -23.690 -17.948 19.909 1.00 0.17 H ATOM 34 2HZ LYS 2 -24.645 -19.239 19.551 1.00 0.17 H ATOM 35 3HZ LYS 2 -23.622 -19.307 20.839 1.00 0.17 H ATOM 36 N GLY 3 -15.268 -19.328 17.725 1.00 -0.42 N ATOM 37 H GLY 3 -15.429 -19.730 16.808 1.00 0.27 H ATOM 38 CA GLY 3 -13.909 -18.955 18.089 1.00 -0.03 C ATOM 39 1HA GLY 3 -13.713 -19.298 19.105 1.00 0.07 H ATOM 40 2HA GLY 3 -13.217 -19.468 17.422 1.00 0.07 H ATOM 41 C GLY 3 -13.603 -17.471 18.028 1.00 0.60 C ATOM 42 O GLY 3 -12.782 -17.040 17.228 1.00 -0.57 O ATOM 43 N LYS 4 -14.250 -16.682 18.877 1.00 -0.35 N ATOM 44 H LYS 4 -14.902 -17.126 19.521 1.00 0.28 H ATOM 45 CA LYS 4 -14.108 -15.215 18.929 1.00 -0.24 C ATOM 46 HA LYS 4 -14.194 -14.845 17.906 1.00 0.14 H ATOM 47 C LYS 4 -12.775 -14.664 19.472 1.00 0.73 C ATOM 48 O LYS 4 -12.738 -13.652 20.177 1.00 -0.59 O ATOM 49 CB LYS 4 -15.286 -14.639 19.727 1.00 -0.01 C ATOM 50 1HB LYS 4 -15.203 -13.552 19.720 1.00 0.04 H ATOM 51 2HB LYS 4 -16.209 -14.899 19.209 1.00 0.04 H ATOM 52 CG LYS 4 -15.400 -15.137 21.180 1.00 0.02 C ATOM 53 1HG LYS 4 -16.175 -15.900 21.242 1.00 0.01 H ATOM 54 2HG LYS 4 -14.451 -15.579 21.483 1.00 0.01 H ATOM 55 CD LYS 4 -15.720 -13.998 22.147 1.00 -0.05 C ATOM 56 1HD LYS 4 -15.643 -14.368 23.169 1.00 0.06 H ATOM 57 2HD LYS 4 -14.971 -13.218 22.008 1.00 0.06 H ATOM 58 CE LYS 4 -17.113 -13.395 21.937 1.00 -0.01 C ATOM 59 1HE LYS 4 -17.250 -13.159 20.880 1.00 0.11 H ATOM 60 2HE LYS 4 -17.872 -14.117 22.242 1.00 0.11 H ATOM 61 NZ LYS 4 -17.249 -12.125 22.726 1.00 -0.38 N ATOM 62 1HZ LYS 4 -17.058 -12.298 23.703 1.00 0.17 H ATOM 63 2HZ LYS 4 -16.582 -11.446 22.367 1.00 0.17 H ATOM 64 3HZ LYS 4 -18.182 -11.750 22.624 1.00 0.17 H ATOM 65 N LYS 5 -11.671 -15.305 19.113 1.00 -0.35 N ATOM 66 H LYS 5 -11.771 -16.088 18.470 1.00 0.28 H ATOM 67 CA LYS 5 -10.324 -14.942 19.575 1.00 -0.24 C ATOM 68 HA LYS 5 -10.284 -15.052 20.659 1.00 0.14 H ATOM 69 C LYS 5 -9.969 -13.498 19.245 1.00 0.73 C ATOM 70 O LYS 5 -9.274 -12.843 20.014 1.00 -0.59 O ATOM 71 CB LYS 5 -9.297 -15.886 18.933 1.00 -0.01 C ATOM 72 1HB LYS 5 -9.848 -16.686 18.438 1.00 0.04 H ATOM 73 2HB LYS 5 -8.741 -15.343 18.168 1.00 0.04 H ATOM 74 CG LYS 5 -8.309 -16.544 19.904 1.00 0.02 C ATOM 75 1HG LYS 5 -8.869 -16.930 20.756 1.00 0.01 H ATOM 76 2HG LYS 5 -7.844 -17.391 19.401 1.00 0.01 H ATOM 77 CD LYS 5 -7.198 -15.621 20.425 1.00 -0.05 C ATOM 78 1HD LYS 5 -7.451 -14.581 20.234 1.00 0.06 H ATOM 79 2HD LYS 5 -7.113 -15.761 21.503 1.00 0.06 H ATOM 80 CE LYS 5 -5.837 -15.923 19.791 1.00 -0.01 C ATOM 81 1HE LYS 5 -5.077 -15.355 20.332 1.00 0.11 H ATOM 82 2HE LYS 5 -5.616 -16.986 19.895 1.00 0.11 H ATOM 83 NZ LYS 5 -5.774 -15.527 18.344 1.00 -0.38 N ATOM 84 1HZ LYS 5 -6.470 -16.018 17.806 1.00 0.17 H ATOM 85 2HZ LYS 5 -5.958 -14.521 18.271 1.00 0.17 H ATOM 86 3HZ LYS 5 -4.854 -15.701 17.971 1.00 0.17 H ATOM 87 N ALA 6 -10.544 -12.986 18.165 1.00 -0.42 N ATOM 88 H ALA 6 -11.143 -13.570 17.611 1.00 0.27 H ATOM 89 CA ALA 6 -10.326 -11.610 17.731 1.00 0.03 C ATOM 90 HA ALA 6 -9.274 -11.509 17.465 1.00 0.08 H ATOM 91 C ALA 6 -10.615 -10.564 18.816 1.00 0.60 C ATOM 92 O ALA 6 -9.933 -9.547 18.880 1.00 -0.57 O ATOM 93 CB ALA 6 -11.162 -11.335 16.476 1.00 -0.18 C ATOM 94 1HB ALA 6 -10.965 -10.318 16.130 1.00 0.06 H ATOM 95 2HB ALA 6 -10.882 -12.032 15.684 1.00 0.06 H ATOM 96 3HB ALA 6 -12.225 -11.436 16.697 1.00 0.06 H ATOM 97 N ASN 7 -11.566 -10.819 19.710 1.00 -0.42 N ATOM 98 H ASN 7 -12.095 -11.683 19.657 1.00 0.27 H ATOM 99 CA ASN 7 -11.834 -9.869 20.794 1.00 0.01 C ATOM 100 HA ASN 7 -12.010 -8.887 20.359 1.00 0.10 H ATOM 101 C ASN 7 -10.649 -9.715 21.742 1.00 0.60 C ATOM 102 O ASN 7 -10.488 -8.664 22.339 1.00 -0.57 O ATOM 103 CB ASN 7 -13.047 -10.276 21.642 1.00 -0.20 C ATOM 104 1HB ASN 7 -12.986 -11.337 21.883 1.00 0.08 H ATOM 105 2HB ASN 7 -13.015 -9.706 22.571 1.00 0.08 H ATOM 106 CG ASN 7 -14.368 -9.984 20.975 1.00 0.71 C ATOM 107 OD1 ASN 7 -15.265 -10.816 20.972 1.00 -0.59 O ATOM 108 ND2 ASN 7 -14.530 -8.797 20.459 1.00 -0.92 N ATOM 109 1HD2 ASN 7 -15.403 -8.579 20.008 1.00 0.42 H ATOM 110 2HD2 ASN 7 -13.797 -8.111 20.522 1.00 0.42 H ATOM 111 N LYS 8 -9.817 -10.739 21.869 1.00 -0.35 N ATOM 112 H LYS 8 -9.970 -11.586 21.332 1.00 0.28 H ATOM 113 CA LYS 8 -8.631 -10.650 22.718 1.00 -0.24 C ATOM 114 HA LYS 8 -8.772 -9.857 23.454 1.00 0.14 H ATOM 115 C LYS 8 -7.426 -10.272 21.884 1.00 0.73 C ATOM 116 O LYS 8 -6.503 -9.668 22.391 1.00 -0.59 O ATOM 117 CB LYS 8 -8.353 -11.968 23.451 1.00 -0.01 C ATOM 118 1HB LYS 8 -8.179 -12.747 22.708 1.00 0.04 H ATOM 119 2HB LYS 8 -7.433 -11.845 24.022 1.00 0.04 H ATOM 120 CG LYS 8 -9.465 -12.446 24.402 1.00 0.02 C ATOM 121 1HG LYS 8 -10.352 -12.675 23.811 1.00 0.01 H ATOM 122 2HG LYS 8 -9.132 -13.368 24.879 1.00 0.01 H ATOM 123 CD LYS 8 -9.872 -11.443 25.498 1.00 -0.05 C ATOM 124 1HD LYS 8 -10.246 -10.536 25.024 1.00 0.06 H ATOM 125 2HD LYS 8 -10.690 -11.877 26.074 1.00 0.06 H ATOM 126 CE LYS 8 -8.740 -11.064 26.462 1.00 -0.01 C ATOM 127 1HE LYS 8 -8.374 -11.958 26.967 1.00 0.11 H ATOM 128 2HE LYS 8 -7.923 -10.613 25.894 1.00 0.11 H ATOM 129 NZ LYS 8 -9.226 -10.065 27.474 1.00 -0.38 N ATOM 130 1HZ LYS 8 -9.977 -10.445 28.027 1.00 0.17 H ATOM 131 2HZ LYS 8 -8.467 -9.767 28.070 1.00 0.17 H ATOM 132 3HZ LYS 8 -9.563 -9.230 26.985 1.00 0.17 H ATOM 133 N ASP 9 -7.440 -10.569 20.598 1.00 -0.52 N ATOM 134 H ASP 9 -8.213 -11.091 20.206 1.00 0.29 H ATOM 135 CA ASP 9 -6.327 -10.187 19.728 1.00 0.04 C ATOM 136 HA ASP 9 -5.397 -10.558 20.160 1.00 0.09 H ATOM 137 C ASP 9 -6.214 -8.667 19.629 1.00 0.54 C ATOM 138 O ASP 9 -5.117 -8.124 19.624 1.00 -0.58 O ATOM 139 CB ASP 9 -6.487 -10.800 18.337 1.00 -0.03 C ATOM 140 1HB ASP 9 -7.465 -10.535 17.942 1.00 -0.01 H ATOM 141 2HB ASP 9 -5.724 -10.381 17.680 1.00 -0.01 H ATOM 142 CG ASP 9 -6.332 -12.308 18.353 1.00 0.80 C ATOM 143 OD1 ASP 9 -7.140 -13.039 17.735 1.00 -0.55 O ATOM 144 OD2 ASP 9 -5.392 -12.801 19.010 1.00 -0.55 O ATOM 145 N VAL 10 -7.335 -7.958 19.648 1.00 -0.42 N ATOM 146 H VAL 10 -8.234 -8.429 19.637 1.00 0.27 H ATOM 147 CA VAL 10 -7.296 -6.490 19.670 1.00 -0.09 C ATOM 148 HA VAL 10 -6.546 -6.167 18.947 1.00 0.10 H ATOM 149 C VAL 10 -6.864 -5.921 21.024 1.00 0.60 C ATOM 150 O VAL 10 -6.625 -4.717 21.149 1.00 -0.57 O ATOM 151 CB VAL 10 -8.649 -5.849 19.245 1.00 0.30 C ATOM 152 HB VAL 10 -8.534 -4.766 19.268 1.00 -0.03 H ATOM 153 CG1 VAL 10 -9.003 -6.250 17.806 1.00 -0.32 C ATOM 154 1HG1 VAL 10 -8.186 -5.974 17.136 1.00 0.08 H ATOM 155 2HG1 VAL 10 -9.173 -7.324 17.734 1.00 0.08 H ATOM 156 3HG1 VAL 10 -9.905 -5.727 17.489 1.00 0.08 H ATOM 157 CG2 VAL 10 -9.797 -6.226 20.191 1.00 -0.32 C ATOM 158 1HG2 VAL 10 -9.545 -5.975 21.221 1.00 0.08 H ATOM 159 2HG2 VAL 10 -10.697 -5.680 19.908 1.00 0.08 H ATOM 160 3HG2 VAL 10 -10.003 -7.292 20.130 1.00 0.08 H ATOM 161 N GLU 11 -6.749 -6.769 22.038 1.00 -0.52 N ATOM 162 H GLU 11 -6.995 -7.742 21.905 1.00 0.29 H ATOM 163 CA GLU 11 -6.190 -6.375 23.332 1.00 0.04 C ATOM 164 HA GLU 11 -6.290 -5.305 23.459 1.00 0.11 H ATOM 165 C GLU 11 -4.703 -6.709 23.379 1.00 0.54 C ATOM 166 O GLU 11 -3.922 -5.930 23.898 1.00 -0.58 O ATOM 167 CB GLU 11 -6.910 -7.061 24.495 1.00 0.06 C ATOM 168 1HB GLU 11 -6.862 -8.138 24.360 1.00 -0.02 H ATOM 169 2HB GLU 11 -6.381 -6.810 25.414 1.00 -0.02 H ATOM 170 CG GLU 11 -8.368 -6.653 24.649 1.00 0.01 C ATOM 171 1HG GLU 11 -8.418 -5.578 24.821 1.00 -0.04 H ATOM 172 2HG GLU 11 -8.906 -6.884 23.730 1.00 -0.04 H ATOM 173 CD GLU 11 -9.029 -7.376 25.808 1.00 0.81 C ATOM 174 OE1 GLU 11 -10.063 -8.045 25.612 1.00 -0.57 O ATOM 175 OE2 GLU 11 -8.487 -7.343 26.932 1.00 -0.57 O ATOM 176 N LEU 12 -4.306 -7.817 22.765 1.00 -0.42 N ATOM 177 H LEU 12 -5.000 -8.427 22.348 1.00 0.27 H ATOM 178 CA LEU 12 -2.897 -8.217 22.677 1.00 -0.05 C ATOM 179 HA LEU 12 -2.431 -8.140 23.662 1.00 0.09 H ATOM 180 C LEU 12 -2.133 -7.297 21.733 1.00 0.60 C ATOM 181 O LEU 12 -0.919 -7.160 21.797 1.00 -0.57 O ATOM 182 CB LEU 12 -2.790 -9.660 22.171 1.00 -0.11 C ATOM 183 1HB LEU 12 -3.328 -9.718 21.225 1.00 0.05 H ATOM 184 2HB LEU 12 -1.738 -9.864 21.965 1.00 0.05 H ATOM 185 CG LEU 12 -3.308 -10.776 23.092 1.00 0.35 C ATOM 186 HG LEU 12 -4.322 -10.537 23.403 1.00 -0.04 H ATOM 187 CD1 LEU 12 -3.349 -12.104 22.332 1.00 -0.41 C ATOM 188 1HD1 LEU 12 -2.345 -12.377 22.004 1.00 0.10 H ATOM 189 2HD1 LEU 12 -3.745 -12.884 22.978 1.00 0.10 H ATOM 190 3HD1 LEU 12 -3.998 -12.007 21.459 1.00 0.10 H ATOM 191 CD2 LEU 12 -2.449 -10.933 24.348 1.00 -0.41 C ATOM 192 1HD2 LEU 12 -1.415 -11.149 24.074 1.00 0.10 H ATOM 193 2HD2 LEU 12 -2.465 -10.005 24.926 1.00 0.10 H ATOM 194 3HD2 LEU 12 -2.837 -11.735 24.971 1.00 0.10 H ATOM 195 N ALA 13 -2.872 -6.587 20.895 1.00 -0.42 N ATOM 196 H ALA 13 -3.859 -6.793 20.833 1.00 0.27 H ATOM 197 CA ALA 13 -2.316 -5.534 20.053 1.00 0.03 C ATOM 198 HA ALA 13 -1.440 -5.933 19.540 1.00 0.08 H ATOM 199 C ALA 13 -1.862 -4.295 20.851 1.00 0.60 C ATOM 200 O ALA 13 -1.444 -3.303 20.255 1.00 -0.57 O ATOM 201 CB ALA 13 -3.368 -5.138 19.004 1.00 -0.18 C ATOM 202 1HB ALA 13 -3.667 -6.019 18.434 1.00 0.06 H ATOM 203 2HB ALA 13 -4.240 -4.710 19.498 1.00 0.06 H ATOM 204 3HB ALA 13 -2.942 -4.399 18.324 1.00 0.06 H ATOM 205 N ARG 14 -1.991 -4.323 22.173 1.00 -0.35 N ATOM 206 H ARG 14 -2.358 -5.162 22.616 1.00 0.28 H ATOM 207 CA ARG 14 -1.643 -3.185 23.033 1.00 -0.26 C ATOM 208 HA ARG 14 -1.383 -2.329 22.412 1.00 0.16 H ATOM 209 C ARG 14 -0.457 -3.484 23.943 1.00 0.73 C ATOM 210 O ARG 14 0.117 -2.558 24.516 1.00 -0.59 O ATOM 211 CB ARG 14 -2.843 -2.819 23.913 1.00 -0.00 C ATOM 212 1HB ARG 14 -2.985 -3.626 24.631 1.00 0.03 H ATOM 213 2HB ARG 14 -2.618 -1.909 24.469 1.00 0.03 H ATOM 214 CG ARG 14 -4.149 -2.636 23.145 1.00 0.04 C ATOM 215 1HG ARG 14 -4.082 -1.769 22.489 1.00 0.03 H ATOM 216 2HG ARG 14 -4.333 -3.521 22.538 1.00 0.03 H ATOM 217 CD ARG 14 -5.329 -2.490 24.081 1.00 0.05 C ATOM 218 1HD ARG 14 -5.220 -3.207 24.897 1.00 0.07 H ATOM 219 2HD ARG 14 -5.361 -1.477 24.484 1.00 0.07 H ATOM 220 NE ARG 14 -6.557 -2.802 23.340 1.00 -0.53 N ATOM 221 HE ARG 14 -6.432 -3.063 22.366 1.00 0.35 H ATOM 222 CZ ARG 14 -7.786 -2.880 23.824 1.00 0.81 C ATOM 223 NH1 ARG 14 -8.734 -3.263 23.017 1.00 -0.86 N ATOM 224 1HH1 ARG 14 -8.495 -3.522 22.069 1.00 0.32 H ATOM 225 2HH1 ARG 14 -9.683 -3.330 23.338 1.00 0.32 H ATOM 226 NH2 ARG 14 -8.098 -2.620 25.068 1.00 -0.86 N ATOM 227 1HH2 ARG 14 -7.372 -2.347 25.708 1.00 0.32 H ATOM 228 2HH2 ARG 14 -9.045 -2.718 25.387 1.00 0.32 H ATOM 229 N GLY 15 -0.115 -4.756 24.087 1.00 -0.42 N ATOM 230 H GLY 15 -0.621 -5.495 23.615 1.00 0.27 H ATOM 231 CA GLY 15 0.929 -5.198 24.997 1.00 -0.03 C ATOM 232 1HA GLY 15 1.869 -5.333 24.468 1.00 0.07 H ATOM 233 2HA GLY 15 1.050 -4.494 25.818 1.00 0.07 H ATOM 234 C GLY 15 0.461 -6.530 25.534 1.00 0.60 C ATOM 235 O GLY 15 1.186 -7.174 26.316 1.00 -0.57 O ATOM 236 OXT GLY 15 -0.659 -6.926 25.141 1.00 -0.57 O TER 237 GLY 15 END
SEQUENCE	SKGKKANKDVELARG
HELICITY	73.30	INSTAB. INDEX	8.14	FLEXIBILITY	14.56
a HYD. MOM.	15.51	b HYD. MOM.	11.54	c HYD. MOM	2.10
a MEAN HYD. MOM.	1.03	b MEAN HYD. MOM.	0.77	c MEAN HYD. MOM.	0.14
CHARGE pH5	3.22	CHARGE pH7	3.00	CHARGE pH9	2.71
Δ CHARGE pH5-pH9	0.51	ISOELECTRIC POINT	10.00	BOMAN INDEX	3.22
ΔG	23	CPP	-0,33	MLP	-19,17
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Actinopterygii	ORDER	Salmoniformes
FAMILY	Salmonidae	GENUS	Oncorhynchus	SPECIES	Oncorhynchus mykiss
DATE	1999
TITLE PAPER	Antibacterial proteins in rainbow trout, Oncorhynchus mykiss