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ID	624	NAME	PenShufArgLeu   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\RWFRIQLQIRRWRNRR.pdb REMARK YASARA Written on: Wed May 14 19:49:38 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 344 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 16 ARG TRP PHE ARG ILE GLN LEU GLN ILE ARG ARG TRP ARG SEQRES 2 16 ASN ARG ARG ATOM 1 N ARG 1 -15.503 -11.046 37.371 1.00 -0.35 N ATOM 2 1H ARG 1 -15.195 -10.608 38.228 1.00 -0.35 H ATOM 3 2H ARG 1 -16.159 -10.433 36.902 1.00 -0.35 H ATOM 4 3H ARG 1 -15.965 -11.920 37.583 1.00 0.28 H ATOM 5 CA ARG 1 -14.330 -11.302 36.479 1.00 -0.26 C ATOM 6 HA ARG 1 -13.903 -10.339 36.202 1.00 0.16 H ATOM 7 C ARG 1 -14.807 -11.982 35.206 1.00 0.73 C ATOM 8 O ARG 1 -15.566 -12.931 35.297 1.00 -0.59 O ATOM 9 CB ARG 1 -13.243 -12.121 37.209 1.00 -0.00 C ATOM 10 1HB ARG 1 -12.390 -12.223 36.539 1.00 0.03 H ATOM 11 2HB ARG 1 -12.918 -11.540 38.073 1.00 0.03 H ATOM 12 CG ARG 1 -13.623 -13.530 37.714 1.00 0.04 C ATOM 13 1HG ARG 1 -14.485 -13.459 38.377 1.00 0.03 H ATOM 14 2HG ARG 1 -13.880 -14.162 36.863 1.00 0.03 H ATOM 15 CD ARG 1 -12.468 -14.187 38.477 1.00 0.05 C ATOM 16 1HD ARG 1 -11.592 -14.229 37.827 1.00 0.07 H ATOM 17 2HD ARG 1 -12.229 -13.576 39.349 1.00 0.07 H ATOM 18 NE ARG 1 -12.800 -15.551 38.923 1.00 -0.53 N ATOM 19 HE ARG 1 -13.708 -15.903 38.668 1.00 0.35 H ATOM 20 CZ ARG 1 -12.016 -16.366 39.621 1.00 0.81 C ATOM 21 NH1 ARG 1 -12.459 -17.553 39.927 1.00 -0.86 N ATOM 22 1HH1 ARG 1 -13.379 -17.848 39.645 1.00 0.32 H ATOM 23 2HH1 ARG 1 -11.877 -18.189 40.447 1.00 0.32 H ATOM 24 NH2 ARG 1 -10.811 -16.050 40.022 1.00 -0.86 N ATOM 25 1HH2 ARG 1 -10.430 -15.146 39.807 1.00 0.32 H ATOM 26 2HH2 ARG 1 -10.261 -16.713 40.544 1.00 0.32 H ATOM 27 N TRP 2 -14.463 -11.453 34.036 1.00 -0.42 N ATOM 28 H TRP 2 -13.806 -10.685 33.992 1.00 0.27 H ATOM 29 CA TRP 2 -15.154 -11.829 32.791 1.00 -0.03 C ATOM 30 HA TRP 2 -15.756 -12.724 32.953 1.00 0.11 H ATOM 31 C TRP 2 -14.208 -12.090 31.625 1.00 0.60 C ATOM 32 O TRP 2 -14.619 -12.320 30.496 1.00 -0.57 O ATOM 33 CB TRP 2 -16.094 -10.682 32.397 1.00 -0.00 C ATOM 34 1HB TRP 2 -15.495 -9.825 32.087 1.00 0.03 H ATOM 35 2HB TRP 2 -16.712 -10.994 31.554 1.00 0.03 H ATOM 36 CG TRP 2 -16.988 -10.257 33.531 1.00 -0.14 C ATOM 37 CD1 TRP 2 -18.213 -10.756 33.843 1.00 -0.16 C ATOM 38 HD1 TRP 2 -18.724 -11.519 33.266 1.00 0.21 H ATOM 39 CD2 TRP 2 -16.716 -9.261 34.537 1.00 0.12 C ATOM 40 NE1 TRP 2 -18.717 -10.181 34.978 1.00 -0.34 N ATOM 41 HE1 TRP 2 -19.628 -10.391 35.367 1.00 0.34 H ATOM 42 CE2 TRP 2 -17.800 -9.290 35.461 1.00 0.14 C ATOM 43 CE3 TRP 2 -15.627 -8.402 34.795 1.00 -0.24 C ATOM 44 HE3 TRP 2 -14.810 -8.329 34.093 1.00 0.17 H ATOM 45 CZ2 TRP 2 -17.806 -8.515 36.640 1.00 -0.26 C ATOM 46 HZ2 TRP 2 -18.644 -8.550 37.322 1.00 0.16 H ATOM 47 CZ3 TRP 2 -15.627 -7.622 35.980 1.00 -0.20 C ATOM 48 HZ3 TRP 2 -14.803 -6.951 36.185 1.00 0.14 H ATOM 49 CH2 TRP 2 -16.721 -7.692 36.891 1.00 -0.11 C ATOM 50 HH2 TRP 2 -16.712 -7.079 37.783 1.00 0.14 H ATOM 51 N PHE 3 -12.918 -11.978 31.899 1.00 -0.42 N ATOM 52 H PHE 3 -12.592 -12.154 32.835 1.00 0.27 H ATOM 53 CA PHE 3 -11.954 -11.442 30.936 1.00 -0.00 C ATOM 54 HA PHE 3 -12.371 -10.510 30.553 1.00 0.10 H ATOM 55 C PHE 3 -11.628 -12.297 29.711 1.00 0.60 C ATOM 56 O PHE 3 -11.019 -11.819 28.759 1.00 -0.57 O ATOM 57 CB PHE 3 -10.688 -11.084 31.710 1.00 -0.03 C ATOM 58 1HB PHE 3 -10.177 -12.003 31.996 1.00 0.03 H ATOM 59 2HB PHE 3 -10.027 -10.510 31.060 1.00 0.03 H ATOM 60 CG PHE 3 -10.972 -10.284 32.958 1.00 0.01 C ATOM 61 CD1 PHE 3 -11.644 -9.048 32.880 1.00 -0.13 C ATOM 62 HD1 PHE 3 -11.919 -8.640 31.916 1.00 0.13 H ATOM 63 CD2 PHE 3 -10.596 -10.776 34.222 1.00 -0.13 C ATOM 64 HD2 PHE 3 -10.058 -11.711 34.299 1.00 0.13 H ATOM 65 CE1 PHE 3 -11.965 -8.319 34.053 1.00 -0.17 C ATOM 66 HE1 PHE 3 -12.476 -7.368 33.977 1.00 0.14 H ATOM 67 CE2 PHE 3 -10.895 -10.049 35.403 1.00 -0.17 C ATOM 68 HE2 PHE 3 -10.575 -10.423 36.365 1.00 0.14 H ATOM 69 CZ PHE 3 -11.589 -8.821 35.317 1.00 -0.11 C ATOM 70 HZ PHE 3 -11.811 -8.256 36.212 1.00 0.13 H ATOM 71 N ARG 4 -12.133 -13.524 29.675 1.00 -0.35 N ATOM 72 H ARG 4 -12.638 -13.860 30.479 1.00 0.28 H ATOM 73 CA ARG 4 -12.059 -14.370 28.478 1.00 -0.26 C ATOM 74 HA ARG 4 -11.008 -14.489 28.208 1.00 0.16 H ATOM 75 C ARG 4 -12.755 -13.736 27.273 1.00 0.73 C ATOM 76 O ARG 4 -12.440 -14.067 26.136 1.00 -0.59 O ATOM 77 CB ARG 4 -12.641 -15.762 28.767 1.00 -0.00 C ATOM 78 1HB ARG 4 -12.442 -16.401 27.906 1.00 0.03 H ATOM 79 2HB ARG 4 -12.111 -16.179 29.624 1.00 0.03 H ATOM 80 CG ARG 4 -14.147 -15.808 29.064 1.00 0.04 C ATOM 81 1HG ARG 4 -14.376 -15.136 29.891 1.00 0.03 H ATOM 82 2HG ARG 4 -14.701 -15.488 28.181 1.00 0.03 H ATOM 83 CD ARG 4 -14.586 -17.221 29.441 1.00 0.05 C ATOM 84 1HD ARG 4 -14.321 -17.901 28.631 1.00 0.07 H ATOM 85 2HD ARG 4 -14.051 -17.524 30.343 1.00 0.07 H ATOM 86 NE ARG 4 -16.035 -17.307 29.690 1.00 -0.53 N ATOM 87 HE ARG 4 -16.570 -16.470 29.523 1.00 0.35 H ATOM 88 CZ ARG 4 -16.702 -18.379 30.104 1.00 0.81 C ATOM 89 NH1 ARG 4 -17.990 -18.289 30.282 1.00 -0.86 N ATOM 90 1HH1 ARG 4 -18.473 -17.424 30.106 1.00 0.32 H ATOM 91 2HH1 ARG 4 -18.511 -19.088 30.602 1.00 0.32 H ATOM 92 NH2 ARG 4 -16.136 -19.534 30.353 1.00 -0.86 N ATOM 93 1HH2 ARG 4 -15.145 -19.644 30.223 1.00 0.32 H ATOM 94 2HH2 ARG 4 -16.689 -20.312 30.670 1.00 0.32 H ATOM 95 N ILE 5 -13.650 -12.783 27.498 1.00 -0.42 N ATOM 96 H ILE 5 -13.918 -12.550 28.447 1.00 0.27 H ATOM 97 CA ILE 5 -14.260 -12.041 26.395 1.00 -0.06 C ATOM 98 HA ILE 5 -14.635 -12.766 25.673 1.00 0.09 H ATOM 99 C ILE 5 -13.254 -11.159 25.649 1.00 0.60 C ATOM 100 O ILE 5 -13.478 -10.823 24.493 1.00 -0.57 O ATOM 101 CB ILE 5 -15.473 -11.186 26.871 1.00 0.13 C ATOM 102 HB ILE 5 -15.925 -10.729 25.989 1.00 0.02 H ATOM 103 CG1 ILE 5 -15.026 -10.052 27.822 1.00 -0.04 C ATOM 104 1HG1 ILE 5 -14.599 -10.489 28.721 1.00 0.02 H ATOM 105 2HG1 ILE 5 -14.248 -9.469 27.332 1.00 0.02 H ATOM 106 CG2 ILE 5 -16.536 -12.112 27.518 1.00 -0.32 C ATOM 107 1HG2 ILE 5 -17.462 -11.555 27.672 1.00 0.09 H ATOM 108 2HG2 ILE 5 -16.756 -12.948 26.852 1.00 0.09 H ATOM 109 3HG2 ILE 5 -16.193 -12.491 28.479 1.00 0.09 H ATOM 110 CD1 ILE 5 -16.127 -9.074 28.246 1.00 -0.07 C ATOM 111 1HD1 ILE 5 -15.685 -8.261 28.822 1.00 0.02 H ATOM 112 2HD1 ILE 5 -16.615 -8.656 27.364 1.00 0.02 H ATOM 113 3HD1 ILE 5 -16.868 -9.580 28.865 1.00 0.02 H ATOM 114 N GLN 6 -12.119 -10.824 26.254 1.00 -0.42 N ATOM 115 H GLN 6 -11.922 -11.133 27.200 1.00 0.27 H ATOM 116 CA GLN 6 -11.127 -10.012 25.553 1.00 -0.00 C ATOM 117 HA GLN 6 -11.633 -9.170 25.085 1.00 0.09 H ATOM 118 C GLN 6 -10.474 -10.868 24.472 1.00 0.60 C ATOM 119 O GLN 6 -10.209 -10.410 23.368 1.00 -0.57 O ATOM 120 CB GLN 6 -10.057 -9.468 26.501 1.00 -0.00 C ATOM 121 1HB GLN 6 -10.537 -9.095 27.406 1.00 0.02 H ATOM 122 2HB GLN 6 -9.380 -10.279 26.770 1.00 0.02 H ATOM 123 CG GLN 6 -9.258 -8.332 25.866 1.00 -0.06 C ATOM 124 1HG GLN 6 -8.974 -8.621 24.856 1.00 0.04 H ATOM 125 2HG GLN 6 -9.890 -7.446 25.807 1.00 0.04 H ATOM 126 CD GLN 6 -7.991 -7.993 26.613 1.00 0.69 C ATOM 127 OE1 GLN 6 -6.906 -8.090 26.055 1.00 -0.61 O ATOM 128 NE2 GLN 6 -8.102 -7.588 27.851 1.00 -0.94 N ATOM 129 1HE2 GLN 6 -7.262 -7.362 28.359 1.00 0.43 H ATOM 130 2HE2 GLN 6 -9.006 -7.499 28.279 1.00 0.43 H ATOM 131 N LEU 7 -10.277 -12.144 24.767 1.00 -0.42 N ATOM 132 H LEU 7 -10.511 -12.492 25.684 1.00 0.27 H ATOM 133 CA LEU 7 -9.754 -13.071 23.768 1.00 -0.05 C ATOM 134 HA LEU 7 -8.819 -12.681 23.367 1.00 0.09 H ATOM 135 C LEU 7 -10.759 -13.189 22.629 1.00 0.60 C ATOM 136 O LEU 7 -10.384 -13.245 21.463 1.00 -0.57 O ATOM 137 CB LEU 7 -9.501 -14.447 24.393 1.00 -0.11 C ATOM 138 1HB LEU 7 -8.832 -14.314 25.243 1.00 0.05 H ATOM 139 2HB LEU 7 -10.448 -14.826 24.768 1.00 0.05 H ATOM 140 CG LEU 7 -8.906 -15.532 23.479 1.00 0.35 C ATOM 141 HG LEU 7 -9.585 -15.694 22.644 1.00 -0.04 H ATOM 142 CD1 LEU 7 -7.535 -15.154 22.919 1.00 -0.41 C ATOM 143 1HD1 LEU 7 -7.627 -14.293 22.258 1.00 0.10 H ATOM 144 2HD1 LEU 7 -6.844 -14.921 23.730 1.00 0.10 H ATOM 145 3HD1 LEU 7 -7.133 -15.986 22.339 1.00 0.10 H ATOM 146 CD2 LEU 7 -8.799 -16.839 24.260 1.00 -0.41 C ATOM 147 1HD2 LEU 7 -9.779 -17.133 24.635 1.00 0.10 H ATOM 148 2HD2 LEU 7 -8.428 -17.628 23.604 1.00 0.10 H ATOM 149 3HD2 LEU 7 -8.110 -16.725 25.099 1.00 0.10 H ATOM 150 N GLN 8 -12.044 -13.172 22.951 1.00 -0.42 N ATOM 151 H GLN 8 -12.326 -13.102 23.918 1.00 0.27 H ATOM 152 CA GLN 8 -13.051 -13.269 21.901 1.00 -0.00 C ATOM 153 HA GLN 8 -12.740 -14.075 21.247 1.00 0.09 H ATOM 154 C GLN 8 -13.134 -12.018 21.026 1.00 0.60 C ATOM 155 O GLN 8 -13.218 -12.140 19.811 1.00 -0.57 O ATOM 156 CB GLN 8 -14.423 -13.664 22.448 1.00 -0.00 C ATOM 157 1HB GLN 8 -14.804 -12.871 23.091 1.00 0.02 H ATOM 158 2HB GLN 8 -15.100 -13.776 21.600 1.00 0.02 H ATOM 159 CG GLN 8 -14.409 -14.979 23.233 1.00 -0.06 C ATOM 160 1HG GLN 8 -13.926 -14.804 24.190 1.00 0.04 H ATOM 161 2HG GLN 8 -15.436 -15.288 23.426 1.00 0.04 H ATOM 162 CD GLN 8 -13.665 -16.112 22.534 1.00 0.69 C ATOM 163 OE1 GLN 8 -13.885 -16.434 21.370 1.00 -0.61 O ATOM 164 NE2 GLN 8 -12.756 -16.723 23.249 1.00 -0.94 N ATOM 165 1HE2 GLN 8 -12.245 -17.482 22.833 1.00 0.43 H ATOM 166 2HE2 GLN 8 -12.575 -16.426 24.194 1.00 0.43 H ATOM 167 N ILE 9 -13.024 -10.816 21.576 1.00 -0.42 N ATOM 168 H ILE 9 -12.988 -10.708 22.587 1.00 0.27 H ATOM 169 CA ILE 9 -12.992 -9.633 20.706 1.00 -0.06 C ATOM 170 HA ILE 9 -13.774 -9.777 19.965 1.00 0.09 H ATOM 171 C ILE 9 -11.681 -9.551 19.918 1.00 0.60 C ATOM 172 O ILE 9 -11.612 -8.892 18.882 1.00 -0.57 O ATOM 173 CB ILE 9 -13.355 -8.300 21.439 1.00 0.13 C ATOM 174 HB ILE 9 -13.422 -7.511 20.692 1.00 0.02 H ATOM 175 CG1 ILE 9 -12.332 -7.867 22.505 1.00 -0.04 C ATOM 176 1HG1 ILE 9 -12.856 -7.247 23.233 1.00 0.02 H ATOM 177 2HG1 ILE 9 -11.986 -8.748 23.026 1.00 0.02 H ATOM 178 CG2 ILE 9 -14.745 -8.434 22.101 1.00 -0.32 C ATOM 179 1HG2 ILE 9 -15.479 -8.769 21.365 1.00 0.09 H ATOM 180 2HG2 ILE 9 -14.717 -9.153 22.921 1.00 0.09 H ATOM 181 3HG2 ILE 9 -15.066 -7.468 22.493 1.00 0.09 H ATOM 182 CD1 ILE 9 -11.116 -7.058 22.019 1.00 -0.07 C ATOM 183 1HD1 ILE 9 -11.452 -6.151 21.518 1.00 0.02 H ATOM 184 2HD1 ILE 9 -10.504 -6.782 22.878 1.00 0.02 H ATOM 185 3HD1 ILE 9 -10.510 -7.650 21.336 1.00 0.02 H ATOM 186 N ARG 10 -10.648 -10.259 20.360 1.00 -0.35 N ATOM 187 H ARG 10 -10.740 -10.771 21.233 1.00 0.28 H ATOM 188 CA ARG 10 -9.379 -10.347 19.628 1.00 -0.26 C ATOM 189 HA ARG 10 -9.163 -9.389 19.160 1.00 0.16 H ATOM 190 C ARG 10 -9.409 -11.395 18.519 1.00 0.73 C ATOM 191 O ARG 10 -8.469 -11.439 17.727 1.00 -0.59 O ATOM 192 CB ARG 10 -8.230 -10.704 20.584 1.00 -0.00 C ATOM 193 1HB ARG 10 -8.563 -11.502 21.243 1.00 0.03 H ATOM 194 2HB ARG 10 -7.404 -11.094 19.999 1.00 0.03 H ATOM 195 CG ARG 10 -7.682 -9.560 21.434 1.00 0.04 C ATOM 196 1HG ARG 10 -7.235 -8.808 20.785 1.00 0.03 H ATOM 197 2HG ARG 10 -8.489 -9.106 22.004 1.00 0.03 H ATOM 198 CD ARG 10 -6.623 -10.103 22.397 1.00 0.05 C ATOM 199 1HD ARG 10 -7.073 -10.914 22.973 1.00 0.07 H ATOM 200 2HD ARG 10 -5.791 -10.516 21.824 1.00 0.07 H ATOM 201 NE ARG 10 -6.120 -9.091 23.340 1.00 -0.53 N ATOM 202 HE ARG 10 -6.622 -8.991 24.215 1.00 0.35 H ATOM 203 CZ ARG 10 -5.061 -8.308 23.190 1.00 0.81 C ATOM 204 NH1 ARG 10 -4.809 -7.447 24.133 1.00 -0.86 N ATOM 205 1HH1 ARG 10 -5.412 -7.426 24.952 1.00 0.32 H ATOM 206 2HH1 ARG 10 -4.025 -6.826 24.064 1.00 0.32 H ATOM 207 NH2 ARG 10 -4.238 -8.342 22.174 1.00 -0.86 N ATOM 208 1HH2 ARG 10 -4.335 -9.053 21.452 1.00 0.32 H ATOM 209 2HH2 ARG 10 -3.479 -7.691 22.113 1.00 0.32 H ATOM 210 N ARG 11 -10.455 -12.205 18.409 1.00 -0.35 N ATOM 211 H ARG 11 -11.239 -12.096 19.047 1.00 0.28 H ATOM 212 CA ARG 11 -10.500 -13.300 17.421 1.00 -0.26 C ATOM 213 HA ARG 11 -9.707 -14.009 17.657 1.00 0.16 H ATOM 214 C ARG 11 -10.281 -12.904 15.973 1.00 0.73 C ATOM 215 O ARG 11 -9.760 -13.705 15.217 1.00 -0.59 O ATOM 216 CB ARG 11 -11.847 -14.026 17.482 1.00 -0.00 C ATOM 217 1HB ARG 11 -12.632 -13.271 17.479 1.00 0.03 H ATOM 218 2HB ARG 11 -11.969 -14.631 16.584 1.00 0.03 H ATOM 219 CG ARG 11 -12.034 -14.913 18.705 1.00 0.04 C ATOM 220 1HG ARG 11 -11.630 -14.395 19.565 1.00 0.03 H ATOM 221 2HG ARG 11 -13.101 -15.065 18.861 1.00 0.03 H ATOM 222 CD ARG 11 -11.366 -16.276 18.608 1.00 0.05 C ATOM 223 1HD ARG 11 -10.304 -16.142 18.402 1.00 0.07 H ATOM 224 2HD ARG 11 -11.471 -16.786 19.567 1.00 0.07 H ATOM 225 NE ARG 11 -11.973 -17.104 17.554 1.00 -0.53 N ATOM 226 HE ARG 11 -11.498 -17.108 16.664 1.00 0.35 H ATOM 227 CZ ARG 11 -13.080 -17.829 17.662 1.00 0.81 C ATOM 228 NH1 ARG 11 -13.462 -18.527 16.629 1.00 -0.86 N ATOM 229 1HH1 ARG 11 -12.928 -18.504 15.776 1.00 0.32 H ATOM 230 2HH1 ARG 11 -14.296 -19.084 16.679 1.00 0.32 H ATOM 231 NH2 ARG 11 -13.830 -17.885 18.735 1.00 -0.86 N ATOM 232 1HH2 ARG 11 -13.604 -17.317 19.549 1.00 0.32 H ATOM 233 2HH2 ARG 11 -14.642 -18.473 18.760 1.00 0.32 H ATOM 234 N TRP 12 -10.668 -11.693 15.599 1.00 -0.42 N ATOM 235 H TRP 12 -11.126 -11.094 16.268 1.00 0.27 H ATOM 236 CA TRP 12 -10.485 -11.212 14.229 1.00 -0.03 C ATOM 237 HA TRP 12 -10.174 -12.053 13.611 1.00 0.11 H ATOM 238 C TRP 12 -9.406 -10.135 14.121 1.00 0.60 C ATOM 239 O TRP 12 -9.283 -9.445 13.096 1.00 -0.57 O ATOM 240 CB TRP 12 -11.819 -10.696 13.685 1.00 -0.00 C ATOM 241 1HB TRP 12 -11.695 -10.451 12.630 1.00 0.03 H ATOM 242 2HB TRP 12 -12.557 -11.495 13.762 1.00 0.03 H ATOM 243 CG TRP 12 -12.347 -9.479 14.399 1.00 -0.14 C ATOM 244 CD1 TRP 12 -12.167 -8.181 14.037 1.00 -0.16 C ATOM 245 HD1 TRP 12 -11.576 -7.870 13.185 1.00 0.21 H ATOM 246 CD2 TRP 12 -13.184 -9.436 15.570 1.00 0.12 C ATOM 247 NE1 TRP 12 -12.844 -7.328 14.865 1.00 -0.34 N ATOM 248 HE1 TRP 12 -12.871 -6.325 14.751 1.00 0.34 H ATOM 249 CE2 TRP 12 -13.488 -8.066 15.820 1.00 0.14 C ATOM 250 CE3 TRP 12 -13.740 -10.418 16.414 1.00 -0.24 C ATOM 251 HE3 TRP 12 -13.542 -11.465 16.244 1.00 0.17 H ATOM 252 CZ2 TRP 12 -14.347 -7.661 16.862 1.00 -0.26 C ATOM 253 HZ2 TRP 12 -14.599 -6.621 17.000 1.00 0.16 H ATOM 254 CZ3 TRP 12 -14.585 -10.016 17.477 1.00 -0.20 C ATOM 255 HZ3 TRP 12 -15.016 -10.762 18.132 1.00 0.14 H ATOM 256 CH2 TRP 12 -14.883 -8.636 17.685 1.00 -0.11 C ATOM 257 HH2 TRP 12 -15.548 -8.353 18.489 1.00 0.14 H ATOM 258 N ARG 13 -8.663 -9.954 15.207 1.00 -0.35 N ATOM 259 H ARG 13 -8.791 -10.592 15.985 1.00 0.28 H ATOM 260 CA ARG 13 -7.660 -8.886 15.317 1.00 -0.26 C ATOM 261 HA ARG 13 -7.631 -8.328 14.381 1.00 0.16 H ATOM 262 C ARG 13 -6.254 -9.396 15.590 1.00 0.73 C ATOM 263 O ARG 13 -5.286 -8.852 15.090 1.00 -0.59 O ATOM 264 CB ARG 13 -8.026 -7.924 16.453 1.00 -0.00 C ATOM 265 1HB ARG 13 -7.842 -8.424 17.403 1.00 0.03 H ATOM 266 2HB ARG 13 -7.365 -7.058 16.393 1.00 0.03 H ATOM 267 CG ARG 13 -9.468 -7.449 16.457 1.00 0.04 C ATOM 268 1HG ARG 13 -9.750 -7.105 15.462 1.00 0.03 H ATOM 269 2HG ARG 13 -10.109 -8.283 16.741 1.00 0.03 H ATOM 270 CD ARG 13 -9.664 -6.317 17.453 1.00 0.05 C ATOM 271 1HD ARG 13 -9.032 -6.497 18.323 1.00 0.07 H ATOM 272 2HD ARG 13 -9.372 -5.376 16.985 1.00 0.07 H ATOM 273 NE ARG 13 -11.061 -6.262 17.900 1.00 -0.53 N ATOM 274 HE ARG 13 -11.593 -7.120 17.782 1.00 0.35 H ATOM 275 CZ ARG 13 -11.666 -5.257 18.514 1.00 0.81 C ATOM 276 NH1 ARG 13 -12.895 -5.429 18.910 1.00 -0.86 N ATOM 277 1HH1 ARG 13 -13.345 -6.320 18.761 1.00 0.32 H ATOM 278 2HH1 ARG 13 -13.392 -4.685 19.368 1.00 0.32 H ATOM 279 NH2 ARG 13 -11.102 -4.099 18.747 1.00 -0.86 N ATOM 280 1HH2 ARG 13 -10.158 -3.939 18.443 1.00 0.32 H ATOM 281 2HH2 ARG 13 -11.611 -3.371 19.219 1.00 0.32 H ATOM 282 N ASN 14 -6.154 -10.423 16.420 1.00 -0.42 N ATOM 283 H ASN 14 -6.998 -10.834 16.803 1.00 0.27 H ATOM 284 CA ASN 14 -4.870 -10.976 16.855 1.00 0.01 C ATOM 285 HA ASN 14 -4.071 -10.261 16.651 1.00 0.10 H ATOM 286 C ASN 14 -4.591 -12.280 16.114 1.00 0.60 C ATOM 287 O ASN 14 -3.566 -12.928 16.301 1.00 -0.57 O ATOM 288 CB ASN 14 -4.965 -11.245 18.359 1.00 -0.20 C ATOM 289 1HB ASN 14 -5.711 -10.575 18.773 1.00 0.08 H ATOM 290 2HB ASN 14 -5.278 -12.276 18.525 1.00 0.08 H ATOM 291 CG ASN 14 -3.681 -10.983 19.097 1.00 0.71 C ATOM 292 OD1 ASN 14 -3.685 -10.228 20.060 1.00 -0.59 O ATOM 293 ND2 ASN 14 -2.601 -11.588 18.693 1.00 -0.92 N ATOM 294 1HD2 ASN 14 -1.740 -11.430 19.186 1.00 0.42 H ATOM 295 2HD2 ASN 14 -2.640 -12.208 17.888 1.00 0.42 H ATOM 296 N ARG 15 -5.571 -12.671 15.315 1.00 -0.35 N ATOM 297 H ARG 15 -6.391 -12.083 15.219 1.00 0.28 H ATOM 298 CA ARG 15 -5.582 -13.883 14.505 1.00 -0.26 C ATOM 299 HA ARG 15 -4.633 -14.042 13.992 1.00 0.16 H ATOM 300 C ARG 15 -6.707 -13.501 13.559 1.00 0.73 C ATOM 301 O ARG 15 -7.373 -12.497 13.834 1.00 -0.59 O ATOM 302 CB ARG 15 -6.013 -15.107 15.326 1.00 -0.00 C ATOM 303 1HB ARG 15 -5.585 -15.033 16.326 1.00 0.03 H ATOM 304 2HB ARG 15 -7.099 -15.080 15.422 1.00 0.03 H ATOM 305 CG ARG 15 -5.598 -16.455 14.731 1.00 0.04 C ATOM 306 1HG ARG 15 -5.556 -16.382 13.648 1.00 0.03 H ATOM 307 2HG ARG 15 -4.605 -16.713 15.100 1.00 0.03 H ATOM 308 CD ARG 15 -6.590 -17.552 15.108 1.00 0.05 C ATOM 309 1HD ARG 15 -6.723 -17.533 16.190 1.00 0.07 H ATOM 310 2HD ARG 15 -7.552 -17.343 14.636 1.00 0.07 H ATOM 311 NE ARG 15 -6.118 -18.890 14.718 1.00 -0.53 N ATOM 312 HE ARG 15 -5.508 -19.346 15.372 1.00 0.35 H ATOM 313 CZ ARG 15 -6.420 -19.555 13.607 1.00 0.81 C ATOM 314 NH1 ARG 15 -5.911 -20.746 13.450 1.00 -0.86 N ATOM 315 1HH1 ARG 15 -5.306 -21.135 14.149 1.00 0.32 H ATOM 316 2HH1 ARG 15 -6.122 -21.265 12.618 1.00 0.32 H ATOM 317 NH2 ARG 15 -7.203 -19.126 12.656 1.00 -0.86 N ATOM 318 1HH2 ARG 15 -7.583 -18.175 12.677 1.00 0.32 H ATOM 319 2HH2 ARG 15 -7.419 -19.696 11.866 1.00 0.32 H ATOM 320 N ARG 16 -6.974 -14.316 12.551 1.00 -0.35 N ATOM 321 H ARG 16 -6.281 -14.986 12.224 1.00 0.28 H ATOM 322 CA ARG 16 -8.319 -14.564 12.040 1.00 -0.26 C ATOM 323 HA ARG 16 -9.079 -14.328 12.786 1.00 0.16 H ATOM 324 C ARG 16 -8.185 -16.063 11.911 1.00 0.73 C ATOM 325 O ARG 16 -9.070 -16.838 12.307 1.00 -0.59 O ATOM 326 OXT ARG 16 -7.039 -16.434 11.585 1.00 -0.59 O ATOM 327 CB ARG 16 -8.594 -13.852 10.711 1.00 -0.00 C ATOM 328 1HB ARG 16 -7.776 -14.046 10.017 1.00 0.03 H ATOM 329 2HB ARG 16 -9.522 -14.240 10.289 1.00 0.03 H ATOM 330 CG ARG 16 -8.737 -12.363 10.932 1.00 0.04 C ATOM 331 1HG ARG 16 -9.518 -12.218 11.670 1.00 0.03 H ATOM 332 2HG ARG 16 -7.803 -11.979 11.338 1.00 0.03 H ATOM 333 CD ARG 16 -9.088 -11.527 9.737 1.00 0.05 C ATOM 334 1HD ARG 16 -8.298 -11.601 8.988 1.00 0.07 H ATOM 335 2HD ARG 16 -10.040 -11.854 9.319 1.00 0.07 H ATOM 336 NE ARG 16 -9.198 -10.150 10.236 1.00 -0.53 N ATOM 337 HE ARG 16 -9.054 -10.029 11.235 1.00 0.35 H ATOM 338 CZ ARG 16 -9.473 -9.061 9.542 1.00 0.81 C ATOM 339 NH1 ARG 16 -9.514 -7.933 10.189 1.00 -0.86 N ATOM 340 1HH1 ARG 16 -9.348 -7.936 11.187 1.00 0.32 H ATOM 341 2HH1 ARG 16 -9.702 -7.073 9.706 1.00 0.32 H ATOM 342 NH2 ARG 16 -9.698 -9.055 8.253 1.00 -0.86 N ATOM 343 1HH2 ARG 16 -9.664 -9.923 7.747 1.00 0.32 H ATOM 344 2HH2 ARG 16 -9.894 -8.194 7.775 1.00 0.32 H TER 345 ARG 16 END
SEQUENCE	RWFRIQLQIRRWRNRR
HELICITY	62.50	INSTAB. INDEX	180.66	FLEXIBILITY	6.55
a HYD. MOM.	27.00	b HYD. MOM.	8.45	c HYD. MOM	3.27
a MEAN HYD. MOM.	1.69	b MEAN HYD. MOM.	0.53	c MEAN HYD. MOM.	0.20
CHARGE pH5	7.00	CHARGE pH7	7.00	CHARGE pH9	6.83
Δ CHARGE pH5-pH9	0.17	ISOELECTRIC POINT	12.78	BOMAN INDEX	6.24
ΔG	6	CPP	0,54	MLP	-1,80
MOLECULAR VOLUME		POLARITY
MIC E. coli	16	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	16	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