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ID	343	NAME	Odorranain-G1   Blast NCBI-PROT
LENGTH	13	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\FMPILSCSRFKRC.pdb REMARK YASARA Written on: Wed May 14 16:06:52 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 226 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 PHE MET PRO ILE LEU SER CYS SER ARG PHE LYS ARG CYS ATOM 1 N PHE 1 -7.762 -13.489 15.038 1.00 -0.42 N ATOM 2 1H PHE 1 -8.183 -14.317 15.433 1.00 -0.42 H ATOM 3 2H PHE 1 -7.174 -13.743 14.256 1.00 -0.42 H ATOM 4 3H PHE 1 -7.193 -13.030 15.737 1.00 0.27 H ATOM 5 CA PHE 1 -8.822 -12.552 14.575 1.00 -0.00 C ATOM 6 HA PHE 1 -9.441 -13.051 13.830 1.00 0.10 H ATOM 7 C PHE 1 -8.157 -11.345 13.948 1.00 0.60 C ATOM 8 O PHE 1 -6.939 -11.362 13.855 1.00 -0.57 O ATOM 9 CB PHE 1 -9.696 -12.143 15.768 1.00 -0.03 C ATOM 10 1HB PHE 1 -9.491 -12.827 16.590 1.00 0.03 H ATOM 11 2HB PHE 1 -9.428 -11.138 16.092 1.00 0.03 H ATOM 12 CG PHE 1 -11.168 -12.190 15.480 1.00 0.01 C ATOM 13 CD1 PHE 1 -11.851 -11.049 15.021 1.00 -0.13 C ATOM 14 HD1 PHE 1 -11.329 -10.111 14.911 1.00 0.13 H ATOM 15 CD2 PHE 1 -11.882 -13.387 15.666 1.00 -0.13 C ATOM 16 HD2 PHE 1 -11.383 -14.267 16.046 1.00 0.13 H ATOM 17 CE1 PHE 1 -13.230 -11.112 14.703 1.00 -0.17 C ATOM 18 HE1 PHE 1 -13.748 -10.239 14.331 1.00 0.14 H ATOM 19 CE2 PHE 1 -13.264 -13.459 15.371 1.00 -0.17 C ATOM 20 HE2 PHE 1 -13.805 -14.382 15.526 1.00 0.14 H ATOM 21 CZ PHE 1 -13.937 -12.321 14.879 1.00 -0.11 C ATOM 22 HZ PHE 1 -14.991 -12.374 14.643 1.00 0.13 H ATOM 23 N MET 2 -8.893 -10.305 13.570 1.00 -0.42 N ATOM 24 H MET 2 -9.900 -10.358 13.602 1.00 0.27 H ATOM 25 CA MET 2 -8.281 -9.021 13.200 1.00 -0.02 C ATOM 26 HA MET 2 -7.668 -9.146 12.307 1.00 0.09 H ATOM 27 C MET 2 -7.412 -8.613 14.398 1.00 0.60 C ATOM 28 O MET 2 -7.880 -8.755 15.532 1.00 -0.57 O ATOM 29 CB MET 2 -9.394 -7.994 12.949 1.00 0.03 C ATOM 30 1HB MET 2 -10.039 -8.373 12.157 1.00 0.02 H ATOM 31 2HB MET 2 -9.992 -7.906 13.854 1.00 0.02 H ATOM 32 CG MET 2 -8.919 -6.599 12.564 1.00 0.00 C ATOM 33 1HG MET 2 -9.783 -5.943 12.461 1.00 0.04 H ATOM 34 2HG MET 2 -8.284 -6.211 13.360 1.00 0.04 H ATOM 35 SD MET 2 -7.986 -6.584 11.021 1.00 -0.27 S ATOM 36 CE MET 2 -9.273 -6.730 9.757 1.00 -0.05 C ATOM 37 1HE MET 2 -9.805 -7.675 9.870 1.00 0.07 H ATOM 38 2HE MET 2 -9.977 -5.902 9.848 1.00 0.07 H ATOM 39 3HE MET 2 -8.813 -6.697 8.768 1.00 0.07 H ATOM 40 N PRO 3 -6.144 -8.195 14.203 1.00 -0.25 N ATOM 41 CA PRO 3 -5.311 -8.086 15.412 1.00 -0.03 C ATOM 42 HA PRO 3 -5.213 -9.076 15.858 1.00 0.06 H ATOM 43 C PRO 3 -5.773 -7.122 16.500 1.00 0.59 C ATOM 44 O PRO 3 -5.724 -7.464 17.676 1.00 -0.57 O ATOM 45 CB PRO 3 -3.951 -7.643 14.861 1.00 -0.01 C ATOM 46 1HB PRO 3 -3.869 -6.556 14.874 1.00 0.03 H ATOM 47 2HB PRO 3 -3.139 -8.091 15.434 1.00 0.03 H ATOM 48 CG PRO 3 -3.942 -8.148 13.470 1.00 0.02 C ATOM 49 1HG PRO 3 -3.227 -7.596 12.858 1.00 0.02 H ATOM 50 2HG PRO 3 -3.709 -9.214 13.464 1.00 0.02 H ATOM 51 CD PRO 3 -5.344 -7.927 12.992 1.00 0.02 C ATOM 52 1HD PRO 3 -5.481 -6.895 12.666 1.00 0.04 H ATOM 53 2HD PRO 3 -5.584 -8.625 12.189 1.00 0.04 H ATOM 54 N ILE 4 -6.291 -5.954 16.146 1.00 -0.42 N ATOM 55 H ILE 4 -6.322 -5.677 15.177 1.00 0.27 H ATOM 56 CA ILE 4 -6.765 -5.017 17.170 1.00 -0.06 C ATOM 57 HA ILE 4 -5.971 -4.904 17.909 1.00 0.09 H ATOM 58 C ILE 4 -7.980 -5.565 17.922 1.00 0.60 C ATOM 59 O ILE 4 -8.173 -5.307 19.106 1.00 -0.57 O ATOM 60 CB ILE 4 -7.044 -3.604 16.567 1.00 0.13 C ATOM 61 HB ILE 4 -7.329 -2.942 17.386 1.00 0.02 H ATOM 62 CG1 ILE 4 -8.197 -3.632 15.538 1.00 -0.04 C ATOM 63 1HG1 ILE 4 -7.889 -4.227 14.678 1.00 0.02 H ATOM 64 2HG1 ILE 4 -9.061 -4.112 15.991 1.00 0.02 H ATOM 65 CG2 ILE 4 -5.741 -3.050 15.931 1.00 -0.32 C ATOM 66 1HG2 ILE 4 -4.914 -3.139 16.638 1.00 0.09 H ATOM 67 2HG2 ILE 4 -5.488 -3.585 15.015 1.00 0.09 H ATOM 68 3HG2 ILE 4 -5.865 -1.991 15.696 1.00 0.09 H ATOM 69 CD1 ILE 4 -8.659 -2.262 15.029 1.00 -0.07 C ATOM 70 1HD1 ILE 4 -9.534 -2.391 14.390 1.00 0.02 H ATOM 71 2HD1 ILE 4 -8.929 -1.623 15.872 1.00 0.02 H ATOM 72 3HD1 ILE 4 -7.870 -1.784 14.449 1.00 0.02 H ATOM 73 N LEU 5 -8.767 -6.400 17.258 1.00 -0.42 N ATOM 74 H LEU 5 -8.546 -6.628 16.303 1.00 0.27 H ATOM 75 CA LEU 5 -9.952 -6.994 17.864 1.00 -0.05 C ATOM 76 HA LEU 5 -10.395 -6.271 18.547 1.00 0.09 H ATOM 77 C LEU 5 -9.559 -8.236 18.660 1.00 0.60 C ATOM 78 O LEU 5 -10.240 -8.646 19.596 1.00 -0.57 O ATOM 79 CB LEU 5 -10.966 -7.292 16.757 1.00 -0.11 C ATOM 80 1HB LEU 5 -11.068 -6.375 16.175 1.00 0.05 H ATOM 81 2HB LEU 5 -10.535 -8.046 16.101 1.00 0.05 H ATOM 82 CG LEU 5 -12.385 -7.751 17.122 1.00 0.35 C ATOM 83 HG LEU 5 -12.329 -8.792 17.411 1.00 -0.04 H ATOM 84 CD1 LEU 5 -13.044 -6.979 18.267 1.00 -0.41 C ATOM 85 1HD1 LEU 5 -12.509 -7.170 19.197 1.00 0.10 H ATOM 86 2HD1 LEU 5 -13.032 -5.908 18.055 1.00 0.10 H ATOM 87 3HD1 LEU 5 -14.075 -7.308 18.391 1.00 0.10 H ATOM 88 CD2 LEU 5 -13.264 -7.648 15.878 1.00 -0.41 C ATOM 89 1HD2 LEU 5 -14.240 -8.090 16.078 1.00 0.10 H ATOM 90 2HD2 LEU 5 -13.402 -6.601 15.597 1.00 0.10 H ATOM 91 3HD2 LEU 5 -12.807 -8.178 15.045 1.00 0.10 H ATOM 92 N SER 6 -8.398 -8.794 18.357 1.00 -0.42 N ATOM 93 H SER 6 -7.871 -8.459 17.560 1.00 0.27 H ATOM 94 CA SER 6 -7.834 -9.849 19.191 1.00 -0.03 C ATOM 95 HA SER 6 -8.604 -10.584 19.386 1.00 0.08 H ATOM 96 C SER 6 -7.414 -9.217 20.516 1.00 0.60 C ATOM 97 O SER 6 -7.801 -9.692 21.578 1.00 -0.57 O ATOM 98 CB SER 6 -6.657 -10.544 18.503 1.00 0.21 C ATOM 99 1HB SER 6 -5.823 -9.848 18.414 1.00 0.04 H ATOM 100 2HB SER 6 -6.342 -11.398 19.105 1.00 0.04 H ATOM 101 OG SER 6 -7.038 -10.979 17.204 1.00 -0.65 O ATOM 102 HG SER 6 -7.168 -10.194 16.653 1.00 0.43 H ATOM 103 N CYS 7 -6.730 -8.083 20.466 1.00 -0.42 N ATOM 104 H CYS 7 -6.434 -7.699 19.571 1.00 0.27 H ATOM 105 CA CYS 7 -6.343 -7.380 21.688 1.00 0.02 C ATOM 106 HA CYS 7 -5.794 -8.073 22.328 1.00 0.11 H ATOM 107 C CYS 7 -7.546 -6.864 22.478 1.00 0.60 C ATOM 108 O CYS 7 -7.523 -6.808 23.708 1.00 -0.57 O ATOM 109 CB CYS 7 -5.430 -6.208 21.328 1.00 -0.12 C ATOM 110 1HB CYS 7 -5.983 -5.506 20.702 1.00 0.11 H ATOM 111 2HB CYS 7 -5.137 -5.697 22.248 1.00 0.11 H ATOM 112 SG CYS 7 -3.944 -6.737 20.445 1.00 -0.31 S ATOM 113 HG CYS 7 -3.351 -5.539 20.393 1.00 0.19 H ATOM 114 N SER 8 -8.608 -6.497 21.776 1.00 -0.42 N ATOM 115 H SER 8 -8.551 -6.490 20.764 1.00 0.27 H ATOM 116 CA SER 8 -9.839 -6.037 22.419 1.00 -0.03 C ATOM 117 HA SER 8 -9.574 -5.362 23.231 1.00 0.08 H ATOM 118 C SER 8 -10.713 -7.150 22.994 1.00 0.60 C ATOM 119 O SER 8 -11.497 -6.903 23.911 1.00 -0.57 O ATOM 120 CB SER 8 -10.684 -5.256 21.415 1.00 0.21 C ATOM 121 1HB SER 8 -10.985 -5.918 20.604 1.00 0.04 H ATOM 122 2HB SER 8 -11.576 -4.878 21.916 1.00 0.04 H ATOM 123 OG SER 8 -9.947 -4.167 20.886 1.00 -0.65 O ATOM 124 HG SER 8 -9.269 -4.499 20.275 1.00 0.43 H ATOM 125 N ARG 9 -10.621 -8.355 22.441 1.00 -0.35 N ATOM 126 H ARG 9 -9.942 -8.506 21.704 1.00 0.28 H ATOM 127 CA ARG 9 -11.508 -9.461 22.829 1.00 -0.26 C ATOM 128 HA ARG 9 -11.715 -9.377 23.897 1.00 0.16 H ATOM 129 C ARG 9 -10.976 -10.866 22.576 1.00 0.73 C ATOM 130 O ARG 9 -11.034 -11.707 23.458 1.00 -0.59 O ATOM 131 CB ARG 9 -12.829 -9.324 22.060 1.00 -0.00 C ATOM 132 1HB ARG 9 -13.170 -8.294 22.149 1.00 0.03 H ATOM 133 2HB ARG 9 -12.644 -9.527 21.005 1.00 0.03 H ATOM 134 CG ARG 9 -13.943 -10.251 22.551 1.00 0.04 C ATOM 135 1HG ARG 9 -13.587 -11.281 22.559 1.00 0.03 H ATOM 136 2HG ARG 9 -14.227 -9.966 23.564 1.00 0.03 H ATOM 137 CD ARG 9 -15.157 -10.178 21.642 1.00 0.05 C ATOM 138 1HD ARG 9 -14.853 -10.477 20.642 1.00 0.07 H ATOM 139 2HD ARG 9 -15.908 -10.883 22.003 1.00 0.07 H ATOM 140 NE ARG 9 -15.745 -8.830 21.578 1.00 -0.53 N ATOM 141 HE ARG 9 -15.356 -8.144 22.205 1.00 0.35 H ATOM 142 CZ ARG 9 -16.724 -8.441 20.771 1.00 0.81 C ATOM 143 NH1 ARG 9 -17.119 -7.198 20.813 1.00 -0.86 N ATOM 144 1HH1 ARG 9 -16.688 -6.551 21.454 1.00 0.32 H ATOM 145 2HH1 ARG 9 -17.861 -6.882 20.212 1.00 0.32 H ATOM 146 NH2 ARG 9 -17.315 -9.240 19.916 1.00 -0.86 N ATOM 147 1HH2 ARG 9 -17.037 -10.207 19.872 1.00 0.32 H ATOM 148 2HH2 ARG 9 -18.048 -8.899 19.318 1.00 0.32 H ATOM 149 N PHE 10 -10.490 -11.143 21.377 1.00 -0.42 N ATOM 150 H PHE 10 -10.387 -10.399 20.699 1.00 0.27 H ATOM 151 CA PHE 10 -10.192 -12.525 20.978 1.00 -0.00 C ATOM 152 HA PHE 10 -10.849 -13.175 21.556 1.00 0.10 H ATOM 153 C PHE 10 -8.773 -13.027 21.268 1.00 0.60 C ATOM 154 O PHE 10 -8.300 -13.973 20.629 1.00 -0.57 O ATOM 155 CB PHE 10 -10.552 -12.745 19.507 1.00 -0.03 C ATOM 156 1HB PHE 10 -9.942 -12.098 18.884 1.00 0.03 H ATOM 157 2HB PHE 10 -10.335 -13.780 19.243 1.00 0.03 H ATOM 158 CG PHE 10 -12.001 -12.500 19.199 1.00 0.01 C ATOM 159 CD1 PHE 10 -12.959 -13.489 19.482 1.00 -0.13 C ATOM 160 HD1 PHE 10 -12.658 -14.411 19.963 1.00 0.13 H ATOM 161 CD2 PHE 10 -12.413 -11.301 18.599 1.00 -0.13 C ATOM 162 HD2 PHE 10 -11.685 -10.533 18.394 1.00 0.13 H ATOM 163 CE1 PHE 10 -14.319 -13.301 19.135 1.00 -0.17 C ATOM 164 HE1 PHE 10 -15.043 -14.075 19.349 1.00 0.14 H ATOM 165 CE2 PHE 10 -13.770 -11.099 18.239 1.00 -0.17 C ATOM 166 HE2 PHE 10 -14.075 -10.182 17.760 1.00 0.14 H ATOM 167 CZ PHE 10 -14.722 -12.108 18.497 1.00 -0.11 C ATOM 168 HZ PHE 10 -15.753 -11.973 18.206 1.00 0.13 H ATOM 169 N LYS 11 -8.099 -12.411 22.231 1.00 -0.35 N ATOM 170 H LYS 11 -8.257 -11.418 22.381 1.00 0.28 H ATOM 171 CA LYS 11 -7.182 -13.107 23.142 1.00 -0.24 C ATOM 172 HA LYS 11 -7.463 -14.154 23.129 1.00 0.14 H ATOM 173 C LYS 11 -7.401 -12.679 24.593 1.00 0.73 C ATOM 174 O LYS 11 -6.490 -12.632 25.409 1.00 -0.59 O ATOM 175 CB LYS 11 -5.714 -12.998 22.686 1.00 -0.01 C ATOM 176 1HB LYS 11 -5.598 -12.085 22.101 1.00 0.04 H ATOM 177 2HB LYS 11 -5.057 -12.921 23.550 1.00 0.04 H ATOM 178 CG LYS 11 -5.225 -14.195 21.853 1.00 0.02 C ATOM 179 1HG LYS 11 -5.853 -14.305 20.973 1.00 0.01 H ATOM 180 2HG LYS 11 -4.211 -13.985 21.514 1.00 0.01 H ATOM 181 CD LYS 11 -5.206 -15.523 22.641 1.00 -0.05 C ATOM 182 1HD LYS 11 -4.168 -15.843 22.737 1.00 0.06 H ATOM 183 2HD LYS 11 -5.598 -15.368 23.647 1.00 0.06 H ATOM 184 CE LYS 11 -6.001 -16.653 21.965 1.00 -0.01 C ATOM 185 1HE LYS 11 -5.645 -16.763 20.940 1.00 0.11 H ATOM 186 2HE LYS 11 -5.788 -17.581 22.500 1.00 0.11 H ATOM 187 NZ LYS 11 -7.494 -16.456 21.950 1.00 -0.38 N ATOM 188 1HZ LYS 11 -7.858 -16.393 22.903 1.00 0.17 H ATOM 189 2HZ LYS 11 -7.743 -15.593 21.475 1.00 0.17 H ATOM 190 3HZ LYS 11 -7.957 -17.227 21.497 1.00 0.17 H ATOM 191 N ARG 12 -8.656 -12.396 24.903 1.00 -0.35 N ATOM 192 H ARG 12 -9.355 -12.416 24.170 1.00 0.28 H ATOM 193 CA ARG 12 -9.116 -12.230 26.288 1.00 -0.26 C ATOM 194 HA ARG 12 -8.268 -12.288 26.972 1.00 0.16 H ATOM 195 C ARG 12 -10.020 -13.425 26.553 1.00 0.73 C ATOM 196 O ARG 12 -10.048 -13.966 27.650 1.00 -0.59 O ATOM 197 CB ARG 12 -9.866 -10.914 26.505 1.00 -0.00 C ATOM 198 1HB ARG 12 -10.774 -10.916 25.906 1.00 0.03 H ATOM 199 2HB ARG 12 -10.152 -10.856 27.556 1.00 0.03 H ATOM 200 CG ARG 12 -9.055 -9.679 26.146 1.00 0.04 C ATOM 201 1HG ARG 12 -8.089 -9.720 26.650 1.00 0.03 H ATOM 202 2HG ARG 12 -8.896 -9.651 25.068 1.00 0.03 H ATOM 203 CD ARG 12 -9.789 -8.423 26.575 1.00 0.05 C ATOM 204 1HD ARG 12 -10.798 -8.441 26.161 1.00 0.07 H ATOM 205 2HD ARG 12 -9.849 -8.404 27.664 1.00 0.07 H ATOM 206 NE ARG 12 -9.099 -7.219 26.097 1.00 -0.53 N ATOM 207 HE ARG 12 -8.320 -7.363 25.459 1.00 0.35 H ATOM 208 CZ ARG 12 -9.416 -5.962 26.372 1.00 0.81 C ATOM 209 NH1 ARG 12 -8.705 -5.017 25.827 1.00 -0.86 N ATOM 210 1HH1 ARG 12 -7.967 -5.272 25.180 1.00 0.32 H ATOM 211 2HH1 ARG 12 -8.892 -4.052 26.030 1.00 0.32 H ATOM 212 NH2 ARG 12 -10.399 -5.613 27.164 1.00 -0.86 N ATOM 213 1HH2 ARG 12 -10.967 -6.329 27.585 1.00 0.32 H ATOM 214 2HH2 ARG 12 -10.594 -4.643 27.335 1.00 0.32 H ATOM 215 N CYS 13 -10.656 -13.887 25.487 1.00 -0.42 N ATOM 216 H CYS 13 -10.920 -13.257 24.741 1.00 0.27 H ATOM 217 CA CYS 13 -10.833 -15.311 25.238 1.00 0.02 C ATOM 218 HA CYS 13 -10.579 -15.886 26.131 1.00 0.11 H ATOM 219 C CYS 13 -9.811 -15.643 24.152 1.00 0.60 C ATOM 220 O CYS 13 -9.934 -15.088 23.041 1.00 -0.57 O ATOM 221 OXT CYS 13 -8.840 -16.371 24.427 1.00 -0.57 O ATOM 222 CB CYS 13 -12.280 -15.603 24.815 1.00 -0.12 C ATOM 223 1HB CYS 13 -12.338 -16.642 24.487 1.00 0.11 H ATOM 224 2HB CYS 13 -12.925 -15.480 25.685 1.00 0.11 H ATOM 225 SG CYS 13 -12.896 -14.526 23.488 1.00 -0.31 S ATOM 226 HG CYS 13 -11.773 -14.642 22.756 1.00 0.19 H TER 227 CYS 13 END
SEQUENCE	FMPILSCSRFKRC
HELICITY	15.40	INSTAB. INDEX	111.25	FLEXIBILITY	10.55
a HYD. MOM.	1.51	b HYD. MOM.	2.44	c HYD. MOM	1.97
a MEAN HYD. MOM.	0.12	b MEAN HYD. MOM.	0.19	c MEAN HYD. MOM.	0.15
CHARGE pH5	3.00	CHARGE pH7	2.91	CHARGE pH9	1.15
Δ CHARGE pH5-pH9	1.85	ISOELECTRIC POINT	9.70	BOMAN INDEX	1.65
ΔG	0,98	CPP	-0,06	MLP	-3,13
MOLECULAR VOLUME		POLARITY
MIC E. coli	2	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	5	MIC M. luteus		MIC B. subtilis	19
MIC C. albicans	1	OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Odorrana	SPECIES	Odorrana grahami
DATE	2007
TITLE PAPER	Anti-infection peptidomics of amphibian skin