Back to Resultset

ID	623	NAME	PenShuf   Blast NCBI-PROT
LENGTH	16	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\RWFKIQMQIRRWKNKK.pdb REMARK YASARA Written on: Wed May 14 19:45:52 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 334 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 16 ARG TRP PHE LYS ILE GLN MET GLN ILE ARG ARG TRP LYS SEQRES 2 16 ASN LYS LYS ATOM 1 N ARG 1 -6.213 -4.822 23.943 1.00 -0.35 N ATOM 2 1H ARG 1 -6.057 -4.125 24.658 1.00 -0.35 H ATOM 3 2H ARG 1 -5.324 -5.218 23.665 1.00 -0.35 H ATOM 4 3H ARG 1 -6.644 -4.386 23.140 1.00 0.28 H ATOM 5 CA ARG 1 -7.098 -5.903 24.472 1.00 -0.26 C ATOM 6 HA ARG 1 -6.614 -6.337 25.348 1.00 0.16 H ATOM 7 C ARG 1 -7.238 -7.029 23.454 1.00 0.73 C ATOM 8 O ARG 1 -6.344 -7.853 23.357 1.00 -0.59 O ATOM 9 CB ARG 1 -8.477 -5.372 24.908 1.00 -0.00 C ATOM 10 1HB ARG 1 -8.933 -4.831 24.079 1.00 0.03 H ATOM 11 2HB ARG 1 -9.106 -6.230 25.150 1.00 0.03 H ATOM 12 CG ARG 1 -8.468 -4.459 26.138 1.00 0.04 C ATOM 13 1HG ARG 1 -7.959 -4.967 26.958 1.00 0.03 H ATOM 14 2HG ARG 1 -7.943 -3.532 25.907 1.00 0.03 H ATOM 15 CD ARG 1 -9.900 -4.138 26.569 1.00 0.05 C ATOM 16 1HD ARG 1 -10.418 -3.663 25.735 1.00 0.07 H ATOM 17 2HD ARG 1 -10.410 -5.073 26.809 1.00 0.07 H ATOM 18 NE ARG 1 -9.966 -3.245 27.737 1.00 -0.53 N ATOM 19 HE ARG 1 -9.092 -2.911 28.110 1.00 0.35 H ATOM 20 CZ ARG 1 -11.071 -2.842 28.354 1.00 0.81 C ATOM 21 NH1 ARG 1 -10.965 -2.030 29.367 1.00 -0.86 N ATOM 22 1HH1 ARG 1 -10.064 -1.708 29.677 1.00 0.32 H ATOM 23 2HH1 ARG 1 -11.793 -1.722 29.852 1.00 0.32 H ATOM 24 NH2 ARG 1 -12.275 -3.217 28.003 1.00 -0.86 N ATOM 25 1HH2 ARG 1 -12.396 -3.859 27.239 1.00 0.32 H ATOM 26 2HH2 ARG 1 -13.078 -2.870 28.504 1.00 0.32 H ATOM 27 N TRP 2 -8.333 -7.093 22.708 1.00 -0.42 N ATOM 28 H TRP 2 -9.005 -6.339 22.705 1.00 0.27 H ATOM 29 CA TRP 2 -8.731 -8.317 22.005 1.00 -0.03 C ATOM 30 HA TRP 2 -8.694 -9.116 22.737 1.00 0.11 H ATOM 31 C TRP 2 -7.895 -8.822 20.832 1.00 0.60 C ATOM 32 O TRP 2 -8.055 -9.959 20.417 1.00 -0.57 O ATOM 33 CB TRP 2 -10.197 -8.175 21.606 1.00 -0.00 C ATOM 34 1HB TRP 2 -10.303 -7.388 20.860 1.00 0.03 H ATOM 35 2HB TRP 2 -10.548 -9.118 21.183 1.00 0.03 H ATOM 36 CG TRP 2 -11.020 -7.842 22.818 1.00 -0.14 C ATOM 37 CD1 TRP 2 -11.380 -8.692 23.817 1.00 -0.16 C ATOM 38 HD1 TRP 2 -11.135 -9.747 23.842 1.00 0.21 H ATOM 39 CD2 TRP 2 -11.563 -6.562 23.194 1.00 0.12 C ATOM 40 NE1 TRP 2 -12.083 -8.048 24.792 1.00 -0.34 N ATOM 41 HE1 TRP 2 -12.465 -8.507 25.617 1.00 0.34 H ATOM 42 CE2 TRP 2 -12.218 -6.734 24.448 1.00 0.14 C ATOM 43 CE3 TRP 2 -11.554 -5.280 22.604 1.00 -0.24 C ATOM 44 HE3 TRP 2 -11.078 -5.118 21.648 1.00 0.17 H ATOM 45 CZ2 TRP 2 -12.879 -5.678 25.107 1.00 -0.26 C ATOM 46 HZ2 TRP 2 -13.393 -5.849 26.043 1.00 0.16 H ATOM 47 CZ3 TRP 2 -12.206 -4.209 23.271 1.00 -0.20 C ATOM 48 HZ3 TRP 2 -12.218 -3.223 22.824 1.00 0.14 H ATOM 49 CH2 TRP 2 -12.872 -4.427 24.514 1.00 -0.11 C ATOM 50 HH2 TRP 2 -13.390 -3.605 24.989 1.00 0.14 H ATOM 51 N PHE 3 -6.937 -8.032 20.371 1.00 -0.42 N ATOM 52 H PHE 3 -6.863 -7.087 20.693 1.00 0.27 H ATOM 53 CA PHE 3 -5.926 -8.518 19.432 1.00 -0.00 C ATOM 54 HA PHE 3 -6.420 -9.009 18.593 1.00 0.10 H ATOM 55 C PHE 3 -4.979 -9.551 20.060 1.00 0.60 C ATOM 56 O PHE 3 -4.252 -10.238 19.354 1.00 -0.57 O ATOM 57 CB PHE 3 -5.119 -7.332 18.891 1.00 -0.03 C ATOM 58 1HB PHE 3 -4.337 -7.709 18.231 1.00 0.03 H ATOM 59 2HB PHE 3 -5.785 -6.704 18.299 1.00 0.03 H ATOM 60 CG PHE 3 -4.496 -6.470 19.964 1.00 0.01 C ATOM 61 CD1 PHE 3 -5.054 -5.213 20.267 1.00 -0.13 C ATOM 62 HD1 PHE 3 -5.926 -4.867 19.726 1.00 0.13 H ATOM 63 CD2 PHE 3 -3.338 -6.884 20.650 1.00 -0.13 C ATOM 64 HD2 PHE 3 -2.877 -7.832 20.405 1.00 0.13 H ATOM 65 CE1 PHE 3 -4.464 -4.371 21.243 1.00 -0.17 C ATOM 66 HE1 PHE 3 -4.874 -3.388 21.430 1.00 0.14 H ATOM 67 CE2 PHE 3 -2.755 -6.068 21.651 1.00 -0.17 C ATOM 68 HE2 PHE 3 -1.866 -6.400 22.169 1.00 0.14 H ATOM 69 CZ PHE 3 -3.315 -4.805 21.943 1.00 -0.11 C ATOM 70 HZ PHE 3 -2.850 -4.165 22.681 1.00 0.13 H ATOM 71 N LYS 4 -4.974 -9.690 21.381 1.00 -0.35 N ATOM 72 H LYS 4 -5.554 -9.094 21.959 1.00 0.28 H ATOM 73 CA LYS 4 -4.201 -10.766 22.001 1.00 -0.24 C ATOM 74 HA LYS 4 -3.188 -10.766 21.600 1.00 0.14 H ATOM 75 C LYS 4 -4.874 -12.066 21.603 1.00 0.73 C ATOM 76 O LYS 4 -6.087 -12.204 21.745 1.00 -0.59 O ATOM 77 CB LYS 4 -4.184 -10.652 23.529 1.00 -0.01 C ATOM 78 1HB LYS 4 -5.209 -10.508 23.873 1.00 0.04 H ATOM 79 2HB LYS 4 -3.839 -11.599 23.932 1.00 0.04 H ATOM 80 CG LYS 4 -3.310 -9.530 24.109 1.00 0.02 C ATOM 81 1HG LYS 4 -3.663 -8.575 23.721 1.00 0.01 H ATOM 82 2HG LYS 4 -3.446 -9.523 25.190 1.00 0.01 H ATOM 83 CD LYS 4 -1.799 -9.647 23.805 1.00 -0.05 C ATOM 84 1HD LYS 4 -1.649 -9.570 22.727 1.00 0.06 H ATOM 85 2HD LYS 4 -1.293 -8.799 24.268 1.00 0.06 H ATOM 86 CE LYS 4 -1.126 -10.946 24.294 1.00 -0.01 C ATOM 87 1HE LYS 4 -1.580 -11.793 23.776 1.00 0.11 H ATOM 88 2HE LYS 4 -0.072 -10.911 24.007 1.00 0.11 H ATOM 89 NZ LYS 4 -1.216 -11.187 25.777 1.00 -0.38 N ATOM 90 1HZ LYS 4 -0.742 -12.050 26.011 1.00 0.17 H ATOM 91 2HZ LYS 4 -0.784 -10.425 26.281 1.00 0.17 H ATOM 92 3HZ LYS 4 -2.185 -11.270 26.053 1.00 0.17 H ATOM 93 N ILE 5 -4.091 -13.035 21.157 1.00 -0.42 N ATOM 94 H ILE 5 -3.099 -12.890 21.087 1.00 0.27 H ATOM 95 CA ILE 5 -4.641 -14.295 20.660 1.00 -0.06 C ATOM 96 HA ILE 5 -5.354 -14.039 19.878 1.00 0.09 H ATOM 97 C ILE 5 -5.427 -15.088 21.700 1.00 0.60 C ATOM 98 O ILE 5 -6.298 -15.860 21.344 1.00 -0.57 O ATOM 99 CB ILE 5 -3.545 -15.180 20.003 1.00 0.13 C ATOM 100 HB ILE 5 -4.035 -16.052 19.569 1.00 0.02 H ATOM 101 CG1 ILE 5 -2.519 -15.669 21.047 1.00 -0.04 C ATOM 102 1HG1 ILE 5 -1.959 -14.812 21.422 1.00 0.02 H ATOM 103 2HG1 ILE 5 -3.053 -16.116 21.883 1.00 0.02 H ATOM 104 CG2 ILE 5 -2.863 -14.392 18.854 1.00 -0.32 C ATOM 105 1HG2 ILE 5 -2.249 -15.067 18.256 1.00 0.09 H ATOM 106 2HG2 ILE 5 -3.619 -13.959 18.195 1.00 0.09 H ATOM 107 3HG2 ILE 5 -2.231 -13.592 19.239 1.00 0.09 H ATOM 108 CD1 ILE 5 -1.519 -16.713 20.540 1.00 -0.07 C ATOM 109 1HD1 ILE 5 -0.902 -17.058 21.371 1.00 0.02 H ATOM 110 2HD1 ILE 5 -2.053 -17.566 20.118 1.00 0.02 H ATOM 111 3HD1 ILE 5 -0.869 -16.281 19.778 1.00 0.02 H ATOM 112 N GLN 6 -5.213 -14.843 22.985 1.00 -0.42 N ATOM 113 H GLN 6 -4.477 -14.204 23.257 1.00 0.27 H ATOM 114 CA GLN 6 -6.025 -15.481 24.021 1.00 -0.00 C ATOM 115 HA GLN 6 -5.942 -16.565 23.933 1.00 0.09 H ATOM 116 C GLN 6 -7.496 -15.094 23.844 1.00 0.60 C ATOM 117 O GLN 6 -8.398 -15.918 23.967 1.00 -0.57 O ATOM 118 CB GLN 6 -5.548 -15.039 25.411 1.00 -0.00 C ATOM 119 1HB GLN 6 -5.533 -13.949 25.445 1.00 0.02 H ATOM 120 2HB GLN 6 -6.280 -15.386 26.141 1.00 0.02 H ATOM 121 CG GLN 6 -4.172 -15.572 25.844 1.00 -0.06 C ATOM 122 1HG GLN 6 -4.023 -15.323 26.894 1.00 0.04 H ATOM 123 2HG GLN 6 -4.173 -16.658 25.752 1.00 0.04 H ATOM 124 CD GLN 6 -2.997 -15.022 25.051 1.00 0.69 C ATOM 125 OE1 GLN 6 -2.943 -13.843 24.700 1.00 -0.61 O ATOM 126 NE2 GLN 6 -2.059 -15.873 24.736 1.00 -0.94 N ATOM 127 1HE2 GLN 6 -1.275 -15.563 24.188 1.00 0.43 H ATOM 128 2HE2 GLN 6 -2.120 -16.833 25.039 1.00 0.43 H ATOM 129 N MET 7 -7.740 -13.839 23.502 1.00 -0.42 N ATOM 130 H MET 7 -6.970 -13.205 23.325 1.00 0.27 H ATOM 131 CA MET 7 -9.101 -13.341 23.331 1.00 -0.02 C ATOM 132 HA MET 7 -9.733 -13.719 24.134 1.00 0.09 H ATOM 133 C MET 7 -9.676 -13.816 22.006 1.00 0.60 C ATOM 134 O MET 7 -10.888 -13.967 21.880 1.00 -0.57 O ATOM 135 CB MET 7 -9.105 -11.815 23.362 1.00 0.03 C ATOM 136 1HB MET 7 -8.444 -11.465 22.574 1.00 0.02 H ATOM 137 2HB MET 7 -10.112 -11.461 23.142 1.00 0.02 H ATOM 138 CG MET 7 -8.650 -11.194 24.683 1.00 0.00 C ATOM 139 1HG MET 7 -7.720 -11.656 25.013 1.00 0.04 H ATOM 140 2HG MET 7 -8.461 -10.136 24.511 1.00 0.04 H ATOM 141 SD MET 7 -9.890 -11.317 25.988 1.00 -0.27 S ATOM 142 CE MET 7 -9.397 -12.779 26.938 1.00 -0.05 C ATOM 143 1HE MET 7 -9.402 -13.662 26.299 1.00 0.07 H ATOM 144 2HE MET 7 -8.399 -12.631 27.351 1.00 0.07 H ATOM 145 3HE MET 7 -10.100 -12.927 27.758 1.00 0.07 H ATOM 146 N GLN 8 -8.815 -14.085 21.035 1.00 -0.42 N ATOM 147 H GLN 8 -7.830 -13.919 21.185 1.00 0.27 H ATOM 148 CA GLN 8 -9.252 -14.637 19.753 1.00 -0.00 C ATOM 149 HA GLN 8 -10.116 -14.074 19.399 1.00 0.09 H ATOM 150 C GLN 8 -9.671 -16.099 19.912 1.00 0.60 C ATOM 151 O GLN 8 -10.709 -16.499 19.396 1.00 -0.57 O ATOM 152 CB GLN 8 -8.131 -14.544 18.711 1.00 -0.00 C ATOM 153 1HB GLN 8 -7.252 -15.051 19.099 1.00 0.02 H ATOM 154 2HB GLN 8 -8.447 -15.074 17.813 1.00 0.02 H ATOM 155 CG GLN 8 -7.735 -13.121 18.314 1.00 -0.06 C ATOM 156 1HG GLN 8 -7.448 -12.558 19.202 1.00 0.04 H ATOM 157 2HG GLN 8 -6.873 -13.172 17.649 1.00 0.04 H ATOM 158 CD GLN 8 -8.846 -12.386 17.591 1.00 0.69 C ATOM 159 OE1 GLN 8 -9.455 -12.905 16.663 1.00 -0.61 O ATOM 160 NE2 GLN 8 -9.138 -11.189 18.014 1.00 -0.94 N ATOM 161 1HE2 GLN 8 -9.841 -10.663 17.528 1.00 0.43 H ATOM 162 2HE2 GLN 8 -8.648 -10.799 18.814 1.00 0.43 H ATOM 163 N ILE 9 -8.901 -16.887 20.652 1.00 -0.42 N ATOM 164 H ILE 9 -8.034 -16.517 21.042 1.00 0.27 H ATOM 165 CA ILE 9 -9.226 -18.299 20.889 1.00 -0.06 C ATOM 166 HA ILE 9 -9.441 -18.777 19.934 1.00 0.09 H ATOM 167 C ILE 9 -10.488 -18.412 21.742 1.00 0.60 C ATOM 168 O ILE 9 -11.378 -19.208 21.455 1.00 -0.57 O ATOM 169 CB ILE 9 -8.033 -19.047 21.576 1.00 0.13 C ATOM 170 HB ILE 9 -7.759 -18.489 22.471 1.00 0.02 H ATOM 171 CG1 ILE 9 -6.797 -19.100 20.647 1.00 -0.04 C ATOM 172 1HG1 ILE 9 -6.506 -18.087 20.391 1.00 0.02 H ATOM 173 2HG1 ILE 9 -5.974 -19.538 21.213 1.00 0.02 H ATOM 174 CG2 ILE 9 -8.424 -20.482 22.019 1.00 -0.32 C ATOM 175 1HG2 ILE 9 -7.543 -21.013 22.383 1.00 0.09 H ATOM 176 2HG2 ILE 9 -9.156 -20.441 22.823 1.00 0.09 H ATOM 177 3HG2 ILE 9 -8.854 -21.038 21.182 1.00 0.09 H ATOM 178 CD1 ILE 9 -6.928 -19.888 19.323 1.00 -0.07 C ATOM 179 1HD1 ILE 9 -7.719 -19.465 18.704 1.00 0.02 H ATOM 180 2HD1 ILE 9 -5.987 -19.827 18.777 1.00 0.02 H ATOM 181 3HD1 ILE 9 -7.144 -20.938 19.524 1.00 0.02 H ATOM 182 N ARG 10 -10.627 -17.586 22.772 1.00 -0.35 N ATOM 183 H ARG 10 -9.875 -16.940 23.017 1.00 0.28 H ATOM 184 CA ARG 10 -11.862 -17.622 23.569 1.00 -0.26 C ATOM 185 HA ARG 10 -12.150 -18.664 23.706 1.00 0.16 H ATOM 186 C ARG 10 -13.020 -16.957 22.829 1.00 0.73 C ATOM 187 O ARG 10 -14.175 -17.089 23.242 1.00 -0.59 O ATOM 188 CB ARG 10 -11.658 -16.986 24.952 1.00 -0.00 C ATOM 189 1HB ARG 10 -11.393 -15.937 24.815 1.00 0.03 H ATOM 190 2HB ARG 10 -12.606 -17.027 25.489 1.00 0.03 H ATOM 191 CG ARG 10 -10.575 -17.651 25.827 1.00 0.04 C ATOM 192 1HG ARG 10 -9.614 -17.540 25.335 1.00 0.03 H ATOM 193 2HG ARG 10 -10.526 -17.125 26.780 1.00 0.03 H ATOM 194 CD ARG 10 -10.774 -19.147 26.099 1.00 0.05 C ATOM 195 1HD ARG 10 -10.822 -19.680 25.149 1.00 0.07 H ATOM 196 2HD ARG 10 -9.900 -19.508 26.643 1.00 0.07 H ATOM 197 NE ARG 10 -11.973 -19.455 26.897 1.00 -0.53 N ATOM 198 HE ARG 10 -12.504 -18.668 27.230 1.00 0.35 H ATOM 199 CZ ARG 10 -12.393 -20.668 27.235 1.00 0.81 C ATOM 200 NH1 ARG 10 -13.437 -20.781 28.007 1.00 -0.86 N ATOM 201 1HH1 ARG 10 -13.909 -19.961 28.350 1.00 0.32 H ATOM 202 2HH1 ARG 10 -13.768 -21.694 28.275 1.00 0.32 H ATOM 203 NH2 ARG 10 -11.809 -21.772 26.842 1.00 -0.86 N ATOM 204 1HH2 ARG 10 -11.000 -21.722 26.243 1.00 0.32 H ATOM 205 2HH2 ARG 10 -12.157 -22.668 27.141 1.00 0.32 H ATOM 206 N ARG 11 -12.693 -16.269 21.740 1.00 -0.35 N ATOM 207 H ARG 11 -11.715 -16.234 21.487 1.00 0.28 H ATOM 208 CA ARG 11 -13.625 -15.548 20.860 1.00 -0.26 C ATOM 209 HA ARG 11 -13.008 -14.972 20.173 1.00 0.16 H ATOM 210 C ARG 11 -14.441 -14.544 21.669 1.00 0.73 C ATOM 211 O ARG 11 -15.652 -14.401 21.533 1.00 -0.59 O ATOM 212 CB ARG 11 -14.425 -16.569 20.029 1.00 -0.00 C ATOM 213 1HB ARG 11 -13.709 -17.311 19.674 1.00 0.03 H ATOM 214 2HB ARG 11 -15.122 -17.087 20.682 1.00 0.03 H ATOM 215 CG ARG 11 -15.197 -16.064 18.800 1.00 0.04 C ATOM 216 1HG ARG 11 -15.506 -16.928 18.213 1.00 0.03 H ATOM 217 2HG ARG 11 -16.095 -15.549 19.138 1.00 0.03 H ATOM 218 CD ARG 11 -14.413 -15.109 17.901 1.00 0.05 C ATOM 219 1HD ARG 11 -15.022 -14.875 17.026 1.00 0.07 H ATOM 220 2HD ARG 11 -14.252 -14.182 18.452 1.00 0.07 H ATOM 221 NE ARG 11 -13.103 -15.611 17.457 1.00 -0.53 N ATOM 222 HE ARG 11 -12.877 -16.570 17.675 1.00 0.35 H ATOM 223 CZ ARG 11 -12.170 -14.896 16.843 1.00 0.81 C ATOM 224 NH1 ARG 11 -11.036 -15.455 16.544 1.00 -0.86 N ATOM 225 1HH1 ARG 11 -10.865 -16.417 16.785 1.00 0.32 H ATOM 226 2HH1 ARG 11 -10.313 -14.895 16.110 1.00 0.32 H ATOM 227 NH2 ARG 11 -12.309 -13.631 16.540 1.00 -0.86 N ATOM 228 1HH2 ARG 11 -13.186 -13.165 16.710 1.00 0.32 H ATOM 229 2HH2 ARG 11 -11.515 -13.129 16.159 1.00 0.32 H ATOM 230 N TRP 12 -13.727 -13.884 22.568 1.00 -0.42 N ATOM 231 H TRP 12 -12.713 -13.961 22.524 1.00 0.27 H ATOM 232 CA TRP 12 -14.322 -13.132 23.672 1.00 -0.03 C ATOM 233 HA TRP 12 -14.934 -13.818 24.259 1.00 0.11 H ATOM 234 C TRP 12 -15.207 -11.969 23.241 1.00 0.60 C ATOM 235 O TRP 12 -16.304 -11.800 23.752 1.00 -0.57 O ATOM 236 CB TRP 12 -13.187 -12.603 24.557 1.00 -0.00 C ATOM 237 1HB TRP 12 -12.453 -13.399 24.679 1.00 0.03 H ATOM 238 2HB TRP 12 -12.698 -11.771 24.051 1.00 0.03 H ATOM 239 CG TRP 12 -13.608 -12.161 25.934 1.00 -0.14 C ATOM 240 CD1 TRP 12 -13.501 -12.882 27.082 1.00 -0.16 C ATOM 241 HD1 TRP 12 -13.123 -13.893 27.128 1.00 0.21 H ATOM 242 CD2 TRP 12 -14.158 -10.888 26.336 1.00 0.12 C ATOM 243 NE1 TRP 12 -13.909 -12.161 28.170 1.00 -0.34 N ATOM 244 HE1 TRP 12 -13.906 -12.504 29.121 1.00 0.34 H ATOM 245 CE2 TRP 12 -14.296 -10.918 27.754 1.00 0.14 C ATOM 246 CE3 TRP 12 -14.540 -9.719 25.647 1.00 -0.24 C ATOM 247 HE3 TRP 12 -14.471 -9.669 24.576 1.00 0.17 H ATOM 248 CZ2 TRP 12 -14.755 -9.806 28.492 1.00 -0.26 C ATOM 249 HZ2 TRP 12 -14.833 -9.852 29.568 1.00 0.16 H ATOM 250 CZ3 TRP 12 -15.021 -8.605 26.382 1.00 -0.20 C ATOM 251 HZ3 TRP 12 -15.341 -7.714 25.858 1.00 0.14 H ATOM 252 CH2 TRP 12 -15.108 -8.660 27.802 1.00 -0.11 C ATOM 253 HH2 TRP 12 -15.471 -7.799 28.345 1.00 0.14 H ATOM 254 N LYS 13 -14.756 -11.171 22.280 1.00 -0.35 N ATOM 255 H LYS 13 -13.881 -11.384 21.830 1.00 0.28 H ATOM 256 CA LYS 13 -15.467 -9.936 21.916 1.00 -0.24 C ATOM 257 HA LYS 13 -15.782 -9.468 22.847 1.00 0.14 H ATOM 258 C LYS 13 -16.747 -10.180 21.116 1.00 0.73 C ATOM 259 O LYS 13 -17.536 -9.276 20.863 1.00 -0.59 O ATOM 260 CB LYS 13 -14.493 -8.980 21.204 1.00 -0.01 C ATOM 261 1HB LYS 13 -13.565 -8.970 21.772 1.00 0.04 H ATOM 262 2HB LYS 13 -14.277 -9.384 20.215 1.00 0.04 H ATOM 263 CG LYS 13 -14.955 -7.516 21.039 1.00 0.02 C ATOM 264 1HG LYS 13 -14.189 -6.973 20.485 1.00 0.01 H ATOM 265 2HG LYS 13 -15.861 -7.498 20.439 1.00 0.01 H ATOM 266 CD LYS 13 -15.212 -6.770 22.360 1.00 -0.05 C ATOM 267 1HD LYS 13 -15.262 -7.468 23.194 1.00 0.06 H ATOM 268 2HD LYS 13 -14.376 -6.097 22.535 1.00 0.06 H ATOM 269 CE LYS 13 -16.500 -5.945 22.332 1.00 -0.01 C ATOM 270 1HE LYS 13 -16.514 -5.295 23.209 1.00 0.11 H ATOM 271 2HE LYS 13 -16.505 -5.321 21.436 1.00 0.11 H ATOM 272 NZ LYS 13 -17.734 -6.803 22.355 1.00 -0.38 N ATOM 273 1HZ LYS 13 -18.567 -6.237 22.333 1.00 0.17 H ATOM 274 2HZ LYS 13 -17.734 -7.447 21.570 1.00 0.17 H ATOM 275 3HZ LYS 13 -17.741 -7.373 23.202 1.00 0.17 H ATOM 276 N ASN 14 -16.988 -11.432 20.764 1.00 -0.42 N ATOM 277 H ASN 14 -16.324 -12.154 21.004 1.00 0.27 H ATOM 278 CA ASN 14 -18.210 -11.814 20.064 1.00 0.01 C ATOM 279 HA ASN 14 -18.668 -10.935 19.608 1.00 0.10 H ATOM 280 C ASN 14 -19.200 -12.403 21.065 1.00 0.60 C ATOM 281 O ASN 14 -20.212 -12.975 20.682 1.00 -0.57 O ATOM 282 CB ASN 14 -17.881 -12.827 18.965 1.00 -0.20 C ATOM 283 1HB ASN 14 -17.394 -13.689 19.413 1.00 0.08 H ATOM 284 2HB ASN 14 -18.809 -13.157 18.496 1.00 0.08 H ATOM 285 CG ASN 14 -16.982 -12.252 17.903 1.00 0.71 C ATOM 286 OD1 ASN 14 -15.766 -12.213 18.049 1.00 -0.59 O ATOM 287 ND2 ASN 14 -17.562 -11.810 16.822 1.00 -0.92 N ATOM 288 1HD2 ASN 14 -16.991 -11.411 16.097 1.00 0.42 H ATOM 289 2HD2 ASN 14 -18.562 -11.860 16.726 1.00 0.42 H ATOM 290 N LYS 15 -18.855 -12.311 22.345 1.00 -0.35 N ATOM 291 H LYS 15 -17.990 -11.843 22.582 1.00 0.28 H ATOM 292 CA LYS 15 -19.647 -12.886 23.440 1.00 -0.24 C ATOM 293 HA LYS 15 -20.627 -13.188 23.067 1.00 0.14 H ATOM 294 C LYS 15 -19.860 -11.889 24.572 1.00 0.73 C ATOM 295 O LYS 15 -20.909 -11.874 25.208 1.00 -0.59 O ATOM 296 CB LYS 15 -18.917 -14.117 23.989 1.00 -0.01 C ATOM 297 1HB LYS 15 -17.930 -13.807 24.330 1.00 0.04 H ATOM 298 2HB LYS 15 -19.470 -14.509 24.843 1.00 0.04 H ATOM 299 CG LYS 15 -18.746 -15.226 22.958 1.00 0.02 C ATOM 300 1HG LYS 15 -19.725 -15.617 22.682 1.00 0.01 H ATOM 301 2HG LYS 15 -18.269 -14.821 22.068 1.00 0.01 H ATOM 302 CD LYS 15 -17.872 -16.348 23.471 1.00 -0.05 C ATOM 303 1HD LYS 15 -16.909 -15.935 23.775 1.00 0.06 H ATOM 304 2HD LYS 15 -18.351 -16.830 24.323 1.00 0.06 H ATOM 305 CE LYS 15 -17.657 -17.351 22.350 1.00 -0.01 C ATOM 306 1HE LYS 15 -18.620 -17.779 22.064 1.00 0.11 H ATOM 307 2HE LYS 15 -17.240 -16.822 21.490 1.00 0.11 H ATOM 308 NZ LYS 15 -16.715 -18.439 22.761 1.00 -0.38 N ATOM 309 1HZ LYS 15 -15.814 -18.029 22.999 1.00 0.17 H ATOM 310 2HZ LYS 15 -17.082 -18.926 23.564 1.00 0.17 H ATOM 311 3HZ LYS 15 -16.588 -19.092 22.000 1.00 0.17 H ATOM 312 N LYS 16 -18.861 -11.056 24.826 1.00 -0.35 N ATOM 313 H LYS 16 -17.998 -11.110 24.293 1.00 0.28 H ATOM 314 CA LYS 16 -18.920 -10.019 25.848 1.00 -0.24 C ATOM 315 HA LYS 16 -19.957 -9.797 26.080 1.00 0.14 H ATOM 316 C LYS 16 -18.297 -8.755 25.304 1.00 0.73 C ATOM 317 O LYS 16 -18.496 -7.697 25.934 1.00 -0.59 O ATOM 318 OXT LYS 16 -17.647 -8.827 24.247 1.00 -0.59 O ATOM 319 CB LYS 16 -18.157 -10.453 27.104 1.00 -0.01 C ATOM 320 1HB LYS 16 -17.276 -11.016 26.794 1.00 0.04 H ATOM 321 2HB LYS 16 -17.802 -9.560 27.612 1.00 0.04 H ATOM 322 CG LYS 16 -18.952 -11.286 28.109 1.00 0.02 C ATOM 323 1HG LYS 16 -19.227 -12.231 27.640 1.00 0.01 H ATOM 324 2HG LYS 16 -18.298 -11.506 28.953 1.00 0.01 H ATOM 325 CD LYS 16 -20.240 -10.621 28.650 1.00 -0.05 C ATOM 326 1HD LYS 16 -20.969 -10.529 27.844 1.00 0.06 H ATOM 327 2HD LYS 16 -20.665 -11.296 29.394 1.00 0.06 H ATOM 328 CE LYS 16 -20.043 -9.240 29.311 1.00 -0.01 C ATOM 329 1HE LYS 16 -20.840 -9.104 30.045 1.00 0.11 H ATOM 330 2HE LYS 16 -19.091 -9.241 29.847 1.00 0.11 H ATOM 331 NZ LYS 16 -20.083 -8.065 28.351 1.00 -0.38 N ATOM 332 1HZ LYS 16 -19.939 -7.199 28.848 1.00 0.17 H ATOM 333 2HZ LYS 16 -19.354 -8.155 27.642 1.00 0.17 H ATOM 334 3HZ LYS 16 -20.974 -8.035 27.878 1.00 0.17 H TER 335 LYS 16 END
SEQUENCE	RWFKIQMQIRRWKNKK
HELICITY	87.50	INSTAB. INDEX	112.16	FLEXIBILITY	6.06
a HYD. MOM.	30.61	b HYD. MOM.	9.07	c HYD. MOM	3.12
a MEAN HYD. MOM.	1.91	b MEAN HYD. MOM.	0.57	c MEAN HYD. MOM.	0.20
CHARGE pH5	7.00	CHARGE pH7	7.00	CHARGE pH9	6.71
Δ CHARGE pH5-pH9	0.30	ISOELECTRIC POINT	12.31	BOMAN INDEX	4.05
ΔG	10	CPP	0,59	MLP	-11,45
MOLECULAR VOLUME		POLARITY
MIC E. coli	32	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	64	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	2013
TITLE PAPER	Antimicrobial and cell-penetrating properties of penetratin analogs: Effect of sequence and secondary structure