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ID	139	NAME	P-113D   Blast NCBI-PROT
LENGTH	12	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\AKRHHGYKRKFH.pdb REMARK YASARA Written on: Wed May 14 15:42:05 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 229 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 12 ALA LYS ARG HIS HIS GLY TYR LYS ARG LYS PHE HIS ATOM 1 N ALA 1 -9.633 -7.948 13.342 1.00 -0.42 N ATOM 2 1H ALA 1 -9.009 -7.153 13.333 1.00 -0.42 H ATOM 3 2H ALA 1 -10.320 -7.851 12.610 1.00 -0.42 H ATOM 4 3H ALA 1 -10.104 -7.972 14.239 1.00 0.27 H ATOM 5 CA ALA 1 -8.858 -9.207 13.157 1.00 0.03 C ATOM 6 HA ALA 1 -8.395 -9.185 12.171 1.00 0.08 H ATOM 7 C ALA 1 -9.799 -10.404 13.236 1.00 0.60 C ATOM 8 O ALA 1 -10.587 -10.491 14.166 1.00 -0.57 O ATOM 9 CB ALA 1 -7.749 -9.321 14.235 1.00 -0.18 C ATOM 10 1HB ALA 1 -7.176 -10.236 14.087 1.00 0.06 H ATOM 11 2HB ALA 1 -7.075 -8.465 14.168 1.00 0.06 H ATOM 12 3HB ALA 1 -8.200 -9.336 15.231 1.00 0.06 H ATOM 13 N LYS 2 -9.736 -11.342 12.294 1.00 -0.35 N ATOM 14 H LYS 2 -9.066 -11.266 11.539 1.00 0.28 H ATOM 15 CA LYS 2 -10.657 -12.492 12.308 1.00 -0.24 C ATOM 16 HA LYS 2 -11.680 -12.112 12.320 1.00 0.14 H ATOM 17 C LYS 2 -10.482 -13.347 13.563 1.00 0.73 C ATOM 18 O LYS 2 -11.448 -13.806 14.160 1.00 -0.59 O ATOM 19 CB LYS 2 -10.446 -13.343 11.043 1.00 -0.01 C ATOM 20 1HB LYS 2 -10.519 -12.689 10.174 1.00 0.04 H ATOM 21 2HB LYS 2 -9.433 -13.747 11.074 1.00 0.04 H ATOM 22 CG LYS 2 -11.413 -14.522 10.840 1.00 0.02 C ATOM 23 1HG LYS 2 -11.055 -15.111 9.995 1.00 0.01 H ATOM 24 2HG LYS 2 -11.401 -15.156 11.726 1.00 0.01 H ATOM 25 CD LYS 2 -12.858 -14.100 10.549 1.00 -0.05 C ATOM 26 1HD LYS 2 -13.245 -13.518 11.385 1.00 0.06 H ATOM 27 2HD LYS 2 -12.874 -13.490 9.645 1.00 0.06 H ATOM 28 CE LYS 2 -13.742 -15.333 10.341 1.00 -0.01 C ATOM 29 1HE LYS 2 -13.318 -15.936 9.533 1.00 0.11 H ATOM 30 2HE LYS 2 -13.732 -15.932 11.255 1.00 0.11 H ATOM 31 NZ LYS 2 -15.167 -14.981 9.994 1.00 -0.38 N ATOM 32 1HZ LYS 2 -15.706 -15.826 9.860 1.00 0.17 H ATOM 33 2HZ LYS 2 -15.584 -14.442 10.741 1.00 0.17 H ATOM 34 3HZ LYS 2 -15.192 -14.438 9.140 1.00 0.17 H ATOM 35 N ARG 3 -9.242 -13.494 14.005 1.00 -0.35 N ATOM 36 H ARG 3 -8.496 -13.070 13.482 1.00 0.28 H ATOM 37 CA ARG 3 -8.902 -14.256 15.214 1.00 -0.26 C ATOM 38 HA ARG 3 -9.498 -15.171 15.212 1.00 0.16 H ATOM 39 C ARG 3 -9.197 -13.553 16.546 1.00 0.73 C ATOM 40 O ARG 3 -8.564 -13.869 17.540 1.00 -0.59 O ATOM 41 CB ARG 3 -7.419 -14.671 15.153 1.00 -0.00 C ATOM 42 1HB ARG 3 -7.198 -15.298 16.017 1.00 0.03 H ATOM 43 2HB ARG 3 -7.277 -15.283 14.262 1.00 0.03 H ATOM 44 CG ARG 3 -6.404 -13.516 15.094 1.00 0.04 C ATOM 45 1HG ARG 3 -6.564 -12.951 14.177 1.00 0.03 H ATOM 46 2HG ARG 3 -6.548 -12.851 15.940 1.00 0.03 H ATOM 47 CD ARG 3 -4.964 -14.026 15.106 1.00 0.05 C ATOM 48 1HD ARG 3 -4.852 -14.777 14.322 1.00 0.07 H ATOM 49 2HD ARG 3 -4.298 -13.190 14.884 1.00 0.07 H ATOM 50 NE ARG 3 -4.565 -14.605 16.400 1.00 -0.53 N ATOM 51 HE ARG 3 -5.195 -14.472 17.189 1.00 0.35 H ATOM 52 CZ ARG 3 -3.447 -15.273 16.654 1.00 0.81 C ATOM 53 NH1 ARG 3 -3.224 -15.660 17.875 1.00 -0.86 N ATOM 54 1HH1 ARG 3 -3.894 -15.414 18.602 1.00 0.32 H ATOM 55 2HH1 ARG 3 -2.400 -16.188 18.108 1.00 0.32 H ATOM 56 NH2 ARG 3 -2.549 -15.569 15.747 1.00 -0.86 N ATOM 57 1HH2 ARG 3 -2.694 -15.297 14.789 1.00 0.32 H ATOM 58 2HH2 ARG 3 -1.719 -16.080 16.003 1.00 0.32 H ATOM 59 N HIS 4 -10.148 -12.625 16.586 1.00 -0.35 N ATOM 60 H HIS 4 -10.724 -12.494 15.762 1.00 0.28 H ATOM 61 CA HIS 4 -10.385 -11.739 17.742 1.00 -0.14 C ATOM 62 HA HIS 4 -9.571 -11.015 17.764 1.00 0.12 H ATOM 63 C HIS 4 -10.422 -12.372 19.143 1.00 0.73 C ATOM 64 O HIS 4 -9.954 -11.773 20.103 1.00 -0.59 O ATOM 65 CB HIS 4 -11.679 -10.944 17.518 1.00 -0.04 C ATOM 66 1HB HIS 4 -11.670 -10.526 16.512 1.00 0.08 H ATOM 67 2HB HIS 4 -12.531 -11.620 17.600 1.00 0.08 H ATOM 68 CG HIS 4 -11.865 -9.814 18.485 1.00 -0.00 C ATOM 69 ND1 HIS 4 -11.460 -8.510 18.226 1.00 -0.15 N ATOM 70 HD1 HIS 4 -11.015 -8.167 17.360 1.00 0.14 H ATOM 71 CD2 HIS 4 -12.403 -9.768 19.733 1.00 -0.11 C ATOM 72 HD2 HIS 4 -12.827 -10.605 20.269 1.00 0.23 H ATOM 73 CE1 HIS 4 -11.724 -7.757 19.282 1.00 -0.02 C ATOM 74 HE1 HIS 4 -11.484 -6.704 19.371 1.00 0.27 H ATOM 75 NE2 HIS 4 -12.287 -8.493 20.206 1.00 -0.17 N ATOM 76 HE2 HIS 4 -12.550 -8.163 21.139 1.00 0.14 H ATOM 77 N HIS 5 -10.943 -13.586 19.278 1.00 -0.35 N ATOM 78 H HIS 5 -11.307 -14.057 18.469 1.00 0.28 H ATOM 79 CA HIS 5 -10.956 -14.266 20.581 1.00 -0.14 C ATOM 80 HA HIS 5 -11.429 -13.612 21.314 1.00 0.12 H ATOM 81 C HIS 5 -9.558 -14.591 21.116 1.00 0.73 C ATOM 82 O HIS 5 -9.352 -14.574 22.319 1.00 -0.59 O ATOM 83 CB HIS 5 -11.742 -15.580 20.497 1.00 -0.04 C ATOM 84 1HB HIS 5 -11.317 -16.202 19.708 1.00 0.08 H ATOM 85 2HB HIS 5 -11.622 -16.112 21.443 1.00 0.08 H ATOM 86 CG HIS 5 -13.208 -15.399 20.246 1.00 -0.00 C ATOM 87 ND1 HIS 5 -14.101 -14.969 21.221 1.00 -0.15 N ATOM 88 HD1 HIS 5 -13.856 -14.743 22.180 1.00 0.14 H ATOM 89 CD2 HIS 5 -13.975 -15.621 19.146 1.00 -0.11 C ATOM 90 HD2 HIS 5 -13.618 -15.993 18.192 1.00 0.23 H ATOM 91 CE1 HIS 5 -15.324 -14.930 20.707 1.00 -0.02 C ATOM 92 HE1 HIS 5 -16.225 -14.635 21.240 1.00 0.27 H ATOM 93 NE2 HIS 5 -15.272 -15.321 19.455 1.00 -0.17 N ATOM 94 HE2 HIS 5 -16.067 -15.404 18.826 1.00 0.14 H ATOM 95 N GLY 6 -8.623 -14.893 20.226 1.00 -0.42 N ATOM 96 H GLY 6 -8.836 -14.833 19.237 1.00 0.27 H ATOM 97 CA GLY 6 -7.264 -15.270 20.588 1.00 -0.03 C ATOM 98 1HA GLY 6 -7.163 -15.371 21.669 1.00 0.07 H ATOM 99 2HA GLY 6 -7.009 -16.215 20.110 1.00 0.07 H ATOM 100 C GLY 6 -6.325 -14.196 20.083 1.00 0.60 C ATOM 101 O GLY 6 -5.448 -14.448 19.253 1.00 -0.57 O ATOM 102 N TYR 7 -6.600 -12.967 20.487 1.00 -0.42 N ATOM 103 H TYR 7 -7.305 -12.822 21.205 1.00 0.27 H ATOM 104 CA TYR 7 -5.957 -11.775 19.953 1.00 -0.00 C ATOM 105 HA TYR 7 -4.904 -11.955 19.739 1.00 0.09 H ATOM 106 C TYR 7 -6.105 -10.740 21.067 1.00 0.60 C ATOM 107 O TYR 7 -6.662 -11.060 22.115 1.00 -0.57 O ATOM 108 CB TYR 7 -6.695 -11.365 18.671 1.00 -0.01 C ATOM 109 1HB TYR 7 -6.615 -12.184 17.965 1.00 0.03 H ATOM 110 2HB TYR 7 -7.742 -11.226 18.915 1.00 0.03 H ATOM 111 CG TYR 7 -6.198 -10.109 17.996 1.00 -0.00 C ATOM 112 CD1 TYR 7 -6.993 -8.946 17.990 1.00 -0.19 C ATOM 113 HD1 TYR 7 -7.995 -8.965 18.405 1.00 0.17 H ATOM 114 CD2 TYR 7 -4.910 -10.049 17.428 1.00 -0.19 C ATOM 115 HD2 TYR 7 -4.295 -10.939 17.388 1.00 0.17 H ATOM 116 CE1 TYR 7 -6.490 -7.728 17.488 1.00 -0.23 C ATOM 117 HE1 TYR 7 -7.118 -6.855 17.516 1.00 0.17 H ATOM 118 CE2 TYR 7 -4.399 -8.821 16.926 1.00 -0.23 C ATOM 119 HE2 TYR 7 -3.409 -8.778 16.496 1.00 0.17 H ATOM 120 CZ TYR 7 -5.186 -7.666 16.987 1.00 0.32 C ATOM 121 OH TYR 7 -4.642 -6.479 16.568 1.00 -0.56 O ATOM 122 HH TYR 7 -5.280 -5.758 16.576 1.00 0.40 H ATOM 123 N LYS 8 -5.657 -9.514 20.831 1.00 -0.35 N ATOM 124 H LYS 8 -5.200 -9.338 19.951 1.00 0.28 H ATOM 125 CA LYS 8 -5.914 -8.368 21.704 1.00 -0.24 C ATOM 126 HA LYS 8 -5.509 -8.564 22.697 1.00 0.14 H ATOM 127 C LYS 8 -7.431 -8.169 21.776 1.00 0.73 C ATOM 128 O LYS 8 -8.012 -7.539 20.903 1.00 -0.59 O ATOM 129 CB LYS 8 -5.296 -7.101 21.095 1.00 -0.01 C ATOM 130 1HB LYS 8 -5.803 -6.906 20.155 1.00 0.04 H ATOM 131 2HB LYS 8 -5.491 -6.262 21.765 1.00 0.04 H ATOM 132 CG LYS 8 -3.811 -7.137 20.763 1.00 0.02 C ATOM 133 1HG LYS 8 -3.227 -7.319 21.666 1.00 0.01 H ATOM 134 2HG LYS 8 -3.624 -7.929 20.039 1.00 0.01 H ATOM 135 CD LYS 8 -3.423 -5.787 20.149 1.00 -0.05 C ATOM 136 1HD LYS 8 -4.110 -5.555 19.335 1.00 0.06 H ATOM 137 2HD LYS 8 -3.526 -5.017 20.915 1.00 0.06 H ATOM 138 CE LYS 8 -1.997 -5.753 19.603 1.00 -0.01 C ATOM 139 1HE LYS 8 -1.741 -4.716 19.373 1.00 0.11 H ATOM 140 2HE LYS 8 -1.309 -6.113 20.373 1.00 0.11 H ATOM 141 NZ LYS 8 -1.841 -6.577 18.352 1.00 -0.38 N ATOM 142 1HZ LYS 8 -2.013 -7.551 18.558 1.00 0.17 H ATOM 143 2HZ LYS 8 -2.501 -6.266 17.650 1.00 0.17 H ATOM 144 3HZ LYS 8 -0.902 -6.477 17.988 1.00 0.17 H ATOM 145 N ARG 9 -8.095 -8.702 22.791 1.00 -0.35 N ATOM 146 H ARG 9 -7.580 -9.221 23.488 1.00 0.28 H ATOM 147 CA ARG 9 -9.565 -8.728 22.824 1.00 -0.26 C ATOM 148 HA ARG 9 -9.882 -9.173 21.878 1.00 0.16 H ATOM 149 C ARG 9 -10.289 -7.383 22.901 1.00 0.73 C ATOM 150 O ARG 9 -11.507 -7.344 22.755 1.00 -0.59 O ATOM 151 CB ARG 9 -10.036 -9.674 23.936 1.00 -0.00 C ATOM 152 1HB ARG 9 -11.105 -9.851 23.809 1.00 0.03 H ATOM 153 2HB ARG 9 -9.523 -10.627 23.803 1.00 0.03 H ATOM 154 CG ARG 9 -9.796 -9.199 25.370 1.00 0.04 C ATOM 155 1HG ARG 9 -8.743 -8.957 25.502 1.00 0.03 H ATOM 156 2HG ARG 9 -10.400 -8.312 25.566 1.00 0.03 H ATOM 157 CD ARG 9 -10.178 -10.304 26.353 1.00 0.05 C ATOM 158 1HD ARG 9 -11.213 -10.595 26.164 1.00 0.07 H ATOM 159 2HD ARG 9 -9.534 -11.167 26.175 1.00 0.07 H ATOM 160 NE ARG 9 -10.047 -9.888 27.759 1.00 -0.53 N ATOM 161 HE ARG 9 -9.790 -8.928 27.921 1.00 0.35 H ATOM 162 CZ ARG 9 -10.240 -10.654 28.827 1.00 0.81 C ATOM 163 NH1 ARG 9 -10.112 -10.129 30.014 1.00 -0.86 N ATOM 164 1HH1 ARG 9 -9.880 -9.155 30.121 1.00 0.32 H ATOM 165 2HH1 ARG 9 -10.244 -10.700 30.833 1.00 0.32 H ATOM 166 NH2 ARG 9 -10.549 -11.925 28.760 1.00 -0.86 N ATOM 167 1HH2 ARG 9 -10.643 -12.369 27.861 1.00 0.32 H ATOM 168 2HH2 ARG 9 -10.684 -12.462 29.601 1.00 0.32 H ATOM 169 N LYS 10 -9.551 -6.293 23.072 1.00 -0.35 N ATOM 170 H LYS 10 -8.556 -6.401 23.158 1.00 0.28 H ATOM 171 CA LYS 10 -10.114 -4.935 23.067 1.00 -0.24 C ATOM 172 HA LYS 10 -11.200 -5.014 22.992 1.00 0.14 H ATOM 173 C LYS 10 -9.665 -4.101 21.864 1.00 0.73 C ATOM 174 O LYS 10 -9.832 -2.886 21.852 1.00 -0.59 O ATOM 175 CB LYS 10 -9.802 -4.197 24.375 1.00 -0.01 C ATOM 176 1HB LYS 10 -10.368 -3.267 24.361 1.00 0.04 H ATOM 177 2HB LYS 10 -10.170 -4.791 25.212 1.00 0.04 H ATOM 178 CG LYS 10 -8.314 -3.881 24.615 1.00 0.02 C ATOM 179 1HG LYS 10 -7.799 -4.807 24.872 1.00 0.01 H ATOM 180 2HG LYS 10 -7.870 -3.483 23.703 1.00 0.01 H ATOM 181 CD LYS 10 -8.093 -2.856 25.736 1.00 -0.05 C ATOM 182 1HD LYS 10 -8.652 -3.167 26.620 1.00 0.06 H ATOM 183 2HD LYS 10 -7.030 -2.840 25.982 1.00 0.06 H ATOM 184 CE LYS 10 -8.521 -1.436 25.323 1.00 -0.01 C ATOM 185 1HE LYS 10 -7.996 -1.165 24.403 1.00 0.11 H ATOM 186 2HE LYS 10 -9.592 -1.430 25.113 1.00 0.11 H ATOM 187 NZ LYS 10 -8.226 -0.403 26.381 1.00 -0.38 N ATOM 188 1HZ LYS 10 -7.234 -0.376 26.573 1.00 0.17 H ATOM 189 2HZ LYS 10 -8.523 0.510 26.060 1.00 0.17 H ATOM 190 3HZ LYS 10 -8.724 -0.628 27.232 1.00 0.17 H ATOM 191 N PHE 11 -9.086 -4.741 20.859 1.00 -0.42 N ATOM 192 H PHE 11 -8.958 -5.751 20.892 1.00 0.27 H ATOM 193 CA PHE 11 -8.689 -4.068 19.624 1.00 -0.00 C ATOM 194 HA PHE 11 -9.028 -3.032 19.610 1.00 0.10 H ATOM 195 C PHE 11 -9.411 -4.879 18.566 1.00 0.60 C ATOM 196 O PHE 11 -9.390 -6.098 18.644 1.00 -0.57 O ATOM 197 CB PHE 11 -7.173 -4.141 19.428 1.00 -0.03 C ATOM 198 1HB PHE 11 -6.686 -3.695 20.295 1.00 0.03 H ATOM 199 2HB PHE 11 -6.887 -5.188 19.372 1.00 0.03 H ATOM 200 CG PHE 11 -6.676 -3.444 18.185 1.00 0.01 C ATOM 201 CD1 PHE 11 -6.754 -4.065 16.924 1.00 -0.13 C ATOM 202 HD1 PHE 11 -7.244 -5.019 16.822 1.00 0.13 H ATOM 203 CD2 PHE 11 -6.090 -2.169 18.277 1.00 -0.13 C ATOM 204 HD2 PHE 11 -6.038 -1.666 19.233 1.00 0.13 H ATOM 205 CE1 PHE 11 -6.207 -3.454 15.772 1.00 -0.17 C ATOM 206 HE1 PHE 11 -6.255 -3.956 14.815 1.00 0.14 H ATOM 207 CE2 PHE 11 -5.552 -1.533 17.128 1.00 -0.17 C ATOM 208 HE2 PHE 11 -5.094 -0.557 17.215 1.00 0.14 H ATOM 209 CZ PHE 11 -5.599 -2.185 15.876 1.00 -0.11 C ATOM 210 HZ PHE 11 -5.170 -1.712 15.002 1.00 0.13 H ATOM 211 N HIS 12 -10.075 -4.235 17.621 1.00 -0.35 N ATOM 212 H HIS 12 -10.036 -3.230 17.582 1.00 0.28 H ATOM 213 CA HIS 12 -10.878 -4.951 16.627 1.00 -0.14 C ATOM 214 HA HIS 12 -11.650 -5.506 17.157 1.00 0.12 H ATOM 215 C HIS 12 -10.088 -5.993 15.830 1.00 0.73 C ATOM 216 O HIS 12 -10.477 -7.178 15.905 1.00 -0.59 O ATOM 217 OXT HIS 12 -9.128 -5.640 15.103 1.00 -0.59 O ATOM 218 CB HIS 12 -11.575 -3.950 15.693 1.00 -0.04 C ATOM 219 1HB HIS 12 -11.875 -4.475 14.785 1.00 0.08 H ATOM 220 2HB HIS 12 -12.477 -3.584 16.184 1.00 0.08 H ATOM 221 CG HIS 12 -10.726 -2.771 15.323 1.00 -0.00 C ATOM 222 ND1 HIS 12 -9.457 -2.889 14.776 1.00 -0.15 N ATOM 223 HD1 HIS 12 -8.995 -3.791 14.608 1.00 0.14 H ATOM 224 CD2 HIS 12 -10.936 -1.432 15.426 1.00 -0.11 C ATOM 225 HD2 HIS 12 -11.835 -0.964 15.812 1.00 0.23 H ATOM 226 CE1 HIS 12 -8.953 -1.681 14.564 1.00 -0.02 C ATOM 227 HE1 HIS 12 -7.970 -1.471 14.151 1.00 0.27 H ATOM 228 NE2 HIS 12 -9.831 -0.783 14.948 1.00 -0.17 N ATOM 229 HE2 HIS 12 -9.713 0.225 14.893 1.00 0.14 H TER 230 HIS 12 END
SEQUENCE	AKRHHGYKRKFH
HELICITY	0.00	INSTAB. INDEX	63.83	FLEXIBILITY	8.87
a HYD. MOM.	26.95	b HYD. MOM.	7.69	c HYD. MOM	2.58
a MEAN HYD. MOM.	2.25	b MEAN HYD. MOM.	0.64	c MEAN HYD. MOM.	0.22
CHARGE pH5	7.73	CHARGE pH7	5.27	CHARGE pH9	4.65
Δ CHARGE pH5-pH9	3.08	ISOELECTRIC POINT	11.17	BOMAN INDEX	4.57
ΔG	18	CPP	0,30	MLP	-11,90
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa	3	MIC S. typhimurium
MIC S. aureus	12	MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Mammalia	ORDER	Primates
FAMILY	Hominidae	GENUS	Homo	SPECIES	Homo sapiens
DATE	1999
TITLE PAPER	P-113D, an Antimicrobial Peptide Active against Pseudomonas aeruginosa, Retains Activity in the Presence of putum from Cystic Fibrosis Patients