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ID	1109	NAME	LR6   Blast NCBI-PROT
LENGTH	21	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\pdb_HM_final\RIKRFWPVVIRTVVAGYNLYR.pdb REMARK YASARA Written on: Wed May 14 12:33:31 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 387 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: CATHELICIDIN; COMPND 3 CHAIN: A; SEQRES 1 A 21 ARG ILE LYS ARG PHE TRP PRO VAL VAL ILE ARG THR VAL SEQRES 2 A 21 VAL ALA GLY TYR ASN LEU TYR ARG CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 N ARG A 1 7.186 -30.014 14.926 1.00-26.29 N ATOM 2 1H ARG A 1 6.332 -30.254 14.441 1.00-26.29 H ATOM 3 2H ARG A 1 7.979 -30.332 14.384 1.00-26.29 H ATOM 4 3H ARG A 1 7.241 -29.011 15.033 1.00-26.29 H ATOM 5 CA ARG A 1 7.209 -30.670 16.268 1.00-26.29 C ATOM 6 HA ARG A 1 6.378 -30.301 16.867 1.00-26.29 H ATOM 7 C ARG A 1 8.506 -30.330 16.979 1.00-26.29 C ATOM 8 O ARG A 1 9.565 -30.528 16.403 1.00-26.29 O ATOM 9 CB ARG A 1 7.077 -32.197 16.098 1.00-26.29 C ATOM 10 1HB ARG A 1 6.099 -32.412 15.666 1.00-26.29 H ATOM 11 2HB ARG A 1 7.839 -32.533 15.394 1.00-26.29 H ATOM 12 CG ARG A 1 7.243 -33.015 17.386 1.00-26.29 C ATOM 13 1HG ARG A 1 8.266 -32.898 17.729 1.00-26.29 H ATOM 14 2HG ARG A 1 6.562 -32.637 18.148 1.00-26.29 H ATOM 15 CD ARG A 1 6.993 -34.505 17.194 1.00-26.29 C ATOM 16 1HD ARG A 1 5.951 -34.658 16.911 1.00-26.29 H ATOM 17 2HD ARG A 1 7.637 -34.874 16.394 1.00-26.29 H ATOM 18 NE ARG A 1 7.288 -35.258 18.426 1.00-26.29 N ATOM 19 HE ARG A 1 7.660 -34.733 19.204 1.00-26.29 H ATOM 20 CZ ARG A 1 7.122 -36.561 18.611 1.00-26.29 C ATOM 21 NH1 ARG A 1 7.504 -37.090 19.736 1.00-26.29 N ATOM 22 1HH1 ARG A 1 7.993 -36.524 20.429 1.00-26.29 H ATOM 23 2HH1 ARG A 1 7.327 -38.059 19.922 1.00-26.29 H ATOM 24 NH2 ARG A 1 6.582 -37.357 17.722 1.00-26.29 N ATOM 25 1HH2 ARG A 1 6.271 -36.986 16.842 1.00-26.29 H ATOM 26 2HH2 ARG A 1 6.475 -38.337 17.918 1.00-26.29 H ATOM 27 N ILE A 2 8.437 -29.819 18.202 1.00-22.00 N ATOM 28 H ILE A 2 7.547 -29.618 18.631 1.00-22.00 H ATOM 29 CA ILE A 2 9.634 -29.618 19.020 1.00-22.00 C ATOM 30 HA ILE A 2 10.408 -29.103 18.450 1.00-22.00 H ATOM 31 C ILE A 2 10.081 -31.036 19.358 1.00-22.00 C ATOM 32 O ILE A 2 9.238 -31.858 19.719 1.00-22.00 O ATOM 33 CB ILE A 2 9.315 -28.828 20.330 1.00-22.00 C ATOM 34 HB ILE A 2 8.539 -29.367 20.874 1.00-22.00 H ATOM 35 CG1 ILE A 2 8.775 -27.426 19.975 1.00-22.00 C ATOM 36 1HG1 ILE A 2 9.582 -26.848 19.522 1.00-22.00 H ATOM 37 2HG1 ILE A 2 7.983 -27.526 19.235 1.00-22.00 H ATOM 38 CG2 ILE A 2 10.570 -28.722 21.242 1.00-22.00 C ATOM 39 1HG2 ILE A 2 10.325 -28.193 22.162 1.00-22.00 H ATOM 40 2HG2 ILE A 2 11.369 -28.179 20.730 1.00-22.00 H ATOM 41 3HG2 ILE A 2 10.930 -29.716 21.516 1.00-22.00 H ATOM 42 CD1 ILE A 2 8.199 -26.619 21.149 1.00-22.00 C ATOM 43 1HD1 ILE A 2 7.755 -25.698 20.769 1.00-22.00 H ATOM 44 2HD1 ILE A 2 8.989 -26.355 21.853 1.00-22.00 H ATOM 45 3HD1 ILE A 2 7.429 -27.198 21.661 1.00-22.00 H ATOM 46 N LYS A 3 11.363 -31.348 19.218 1.00 -4.10 N ATOM 47 H LYS A 3 12.023 -30.642 18.929 1.00 -4.10 H ATOM 48 CA LYS A 3 11.849 -32.691 19.540 1.00 -4.10 C ATOM 49 HA LYS A 3 11.215 -33.427 19.048 1.00 -4.10 H ATOM 50 C LYS A 3 11.732 -32.889 21.045 1.00 -4.10 C ATOM 51 O LYS A 3 12.419 -32.240 21.825 1.00 -4.10 O ATOM 52 CB LYS A 3 13.299 -32.888 19.088 1.00 -4.10 C ATOM 53 1HB LYS A 3 13.918 -32.113 19.542 1.00 -4.10 H ATOM 54 2HB LYS A 3 13.642 -33.857 19.449 1.00 -4.10 H ATOM 55 CG LYS A 3 13.480 -32.843 17.574 1.00 -4.10 C ATOM 56 1HG LYS A 3 12.840 -33.597 17.116 1.00 -4.10 H ATOM 57 2HG LYS A 3 13.192 -31.859 17.204 1.00 -4.10 H ATOM 58 CD LYS A 3 14.929 -33.115 17.185 1.00 -4.10 C ATOM 59 1HD LYS A 3 15.572 -32.379 17.670 1.00 -4.10 H ATOM 60 2HD LYS A 3 15.208 -34.113 17.527 1.00 -4.10 H ATOM 61 CE LYS A 3 15.111 -33.028 15.670 1.00 -4.10 C ATOM 62 1HE LYS A 3 14.442 -33.747 15.192 1.00 -4.10 H ATOM 63 2HE LYS A 3 14.834 -32.024 15.338 1.00 -4.10 H ATOM 64 NZ LYS A 3 16.528 -33.314 15.249 1.00 -4.10 N ATOM 65 1HZ LYS A 3 16.609 -33.247 14.243 1.00 -4.10 H ATOM 66 2HZ LYS A 3 16.792 -34.247 15.539 1.00 -4.10 H ATOM 67 3HZ LYS A 3 17.155 -32.645 15.675 1.00 -4.10 H ATOM 68 N ARG A 4 10.803 -33.746 21.432 1.00 13.16 N ATOM 69 H ARG A 4 10.235 -34.209 20.736 1.00 13.16 H ATOM 70 CA ARG A 4 10.516 -34.080 22.820 1.00 13.16 C ATOM 71 HA ARG A 4 11.442 -34.173 23.389 1.00 13.16 H ATOM 72 C ARG A 4 9.842 -35.422 22.630 1.00 13.16 C ATOM 73 O ARG A 4 9.208 -35.627 21.585 1.00 13.16 O ATOM 74 CB ARG A 4 9.582 -33.036 23.443 1.00 13.16 C ATOM 75 1HB ARG A 4 10.037 -32.059 23.287 1.00 13.16 H ATOM 76 2HB ARG A 4 8.628 -33.053 22.916 1.00 13.16 H ATOM 77 CG ARG A 4 9.329 -33.222 24.938 1.00 13.16 C ATOM 78 1HG ARG A 4 8.796 -34.160 25.098 1.00 13.16 H ATOM 79 2HG ARG A 4 10.284 -33.264 25.462 1.00 13.16 H ATOM 80 CD ARG A 4 8.502 -32.075 25.515 1.00 13.16 C ATOM 81 1HD ARG A 4 7.569 -31.996 24.955 1.00 13.16 H ATOM 82 2HD ARG A 4 8.269 -32.302 26.558 1.00 13.16 H ATOM 83 NE ARG A 4 9.224 -30.792 25.454 1.00 13.16 N ATOM 84 HE ARG A 4 10.168 -30.832 25.102 1.00 13.16 H ATOM 85 CZ ARG A 4 8.760 -29.605 25.823 1.00 13.16 C ATOM 86 NH1 ARG A 4 9.542 -28.566 25.712 1.00 13.16 N ATOM 87 1HH1 ARG A 4 10.482 -28.672 25.368 1.00 13.16 H ATOM 88 2HH1 ARG A 4 9.210 -27.654 25.977 1.00 13.16 H ATOM 89 NH2 ARG A 4 7.551 -29.411 26.285 1.00 13.16 N ATOM 90 1HH2 ARG A 4 6.927 -30.194 26.385 1.00 13.16 H ATOM 91 2HH2 ARG A 4 7.247 -28.490 26.547 1.00 13.16 H ATOM 92 N PHE A 5 10.028 -36.331 23.569 1.00 1.00 N ATOM 93 H PHE A 5 10.465 -36.074 24.444 1.00 1.00 H ATOM 94 CA PHE A 5 9.645 -37.728 23.433 1.00 1.00 C ATOM 95 HA PHE A 5 8.766 -37.841 22.799 1.00 1.00 H ATOM 96 C PHE A 5 9.350 -38.128 24.870 1.00 1.00 C ATOM 97 O PHE A 5 9.470 -37.280 25.753 1.00 1.00 O ATOM 98 CB PHE A 5 10.823 -38.553 22.898 1.00 1.00 C ATOM 99 1HB PHE A 5 11.592 -38.596 23.667 1.00 1.00 H ATOM 100 2HB PHE A 5 10.480 -39.567 22.696 1.00 1.00 H ATOM 101 CG PHE A 5 11.450 -37.989 21.649 1.00 1.00 C ATOM 102 CD1 PHE A 5 12.637 -37.235 21.730 1.00 1.00 C ATOM 103 HD1 PHE A 5 13.122 -37.093 22.684 1.00 1.00 H ATOM 104 CD2 PHE A 5 10.856 -38.194 20.392 1.00 1.00 C ATOM 105 HD2 PHE A 5 9.959 -38.790 20.311 1.00 1.00 H ATOM 106 CE1 PHE A 5 13.204 -36.646 20.575 1.00 1.00 C ATOM 107 HE1 PHE A 5 14.111 -36.064 20.655 1.00 1.00 H ATOM 108 CE2 PHE A 5 11.414 -37.616 19.223 1.00 1.00 C ATOM 109 HE2 PHE A 5 10.949 -37.780 18.262 1.00 1.00 H ATOM 110 CZ PHE A 5 12.588 -36.834 19.318 1.00 1.00 C ATOM 111 HZ PHE A 5 13.019 -36.392 18.431 1.00 1.00 H ATOM 112 N TRP A 6 9.044 -39.391 25.125 1.00 5.52 N ATOM 113 H TRP A 6 8.915 -40.048 24.375 1.00 5.52 H ATOM 114 CA TRP A 6 8.969 -39.880 26.500 1.00 5.52 C ATOM 115 HA TRP A 6 8.219 -39.306 27.045 1.00 5.52 H ATOM 116 C TRP A 6 10.346 -39.684 27.135 1.00 5.52 C ATOM 117 O TRP A 6 11.354 -39.768 26.429 1.00 5.52 O ATOM 118 CB TRP A 6 8.602 -41.364 26.501 1.00 5.52 C ATOM 119 1HB TRP A 6 9.437 -41.938 26.103 1.00 5.52 H ATOM 120 2HB TRP A 6 8.416 -41.683 27.527 1.00 5.52 H ATOM 121 CG TRP A 6 7.392 -41.651 25.668 1.00 5.52 C ATOM 122 CD1 TRP A 6 7.339 -42.379 24.518 1.00 5.52 C ATOM 123 HD1 TRP A 6 8.193 -42.868 24.066 1.00 5.52 H ATOM 124 CD2 TRP A 6 6.040 -41.212 25.908 1.00 5.52 C ATOM 125 NE1 TRP A 6 6.068 -42.425 24.014 1.00 5.52 N ATOM 126 HE1 TRP A 6 5.796 -42.927 23.179 1.00 5.52 H ATOM 127 CE2 TRP A 6 5.242 -41.705 24.834 1.00 5.52 C ATOM 128 CE3 TRP A 6 5.422 -40.440 26.914 1.00 5.52 C ATOM 129 HE3 TRP A 6 5.994 -40.061 27.745 1.00 5.52 H ATOM 130 CZ2 TRP A 6 3.859 -41.445 24.741 1.00 5.52 C ATOM 131 HZ2 TRP A 6 3.275 -41.836 23.921 1.00 5.52 H ATOM 132 CZ3 TRP A 6 4.031 -40.172 26.821 1.00 5.52 C ATOM 133 HZ3 TRP A 6 3.544 -39.584 27.587 1.00 5.52 H ATOM 134 CH2 TRP A 6 3.267 -40.682 25.731 1.00 5.52 C ATOM 135 HH2 TRP A 6 2.206 -40.474 25.683 1.00 5.52 H ATOM 136 N PRO A 7 10.435 -39.470 28.460 1.00 12.80 N ATOM 137 CA PRO A 7 11.783 -39.145 28.949 1.00 12.80 C ATOM 138 HA PRO A 7 12.184 -38.307 28.380 1.00 12.80 H ATOM 139 C PRO A 7 12.799 -40.283 28.884 1.00 12.80 C ATOM 140 O PRO A 7 13.998 -40.033 28.845 1.00 12.80 O ATOM 141 CB PRO A 7 11.521 -38.695 30.389 1.00 12.80 C ATOM 142 1HB PRO A 7 12.371 -38.924 31.032 1.00 12.80 H ATOM 143 2HB PRO A 7 11.300 -37.628 30.414 1.00 12.80 H ATOM 144 CG PRO A 7 10.312 -39.465 30.789 1.00 12.80 C ATOM 145 1HG PRO A 7 10.582 -40.494 31.027 1.00 12.80 H ATOM 146 2HG PRO A 7 9.812 -38.993 31.636 1.00 12.80 H ATOM 147 CD PRO A 7 9.445 -39.413 29.554 1.00 12.80 C ATOM 148 1HD PRO A 7 8.768 -40.267 29.524 1.00 12.80 H ATOM 149 2HD PRO A 7 8.890 -38.474 29.513 1.00 12.80 H ATOM 150 N VAL A 8 12.344 -41.526 28.800 1.00 -0.32 N ATOM 151 H VAL A 8 11.356 -41.706 28.879 1.00 -0.32 H ATOM 152 CA VAL A 8 13.248 -42.655 28.579 1.00 -0.32 C ATOM 153 HA VAL A 8 14.044 -42.630 29.323 1.00 -0.32 H ATOM 154 C VAL A 8 13.878 -42.530 27.190 1.00 -0.32 C ATOM 155 O VAL A 8 15.072 -42.741 27.006 1.00 -0.32 O ATOM 156 CB VAL A 8 12.480 -44.005 28.698 1.00 -0.32 C ATOM 157 HB VAL A 8 11.700 -44.027 27.937 1.00 -0.32 H ATOM 158 CG1 VAL A 8 13.406 -45.207 28.485 1.00 -0.32 C ATOM 159 1HG1 VAL A 8 12.842 -46.135 28.599 1.00 -0.32 H ATOM 160 2HG1 VAL A 8 14.221 -45.195 29.210 1.00 -0.32 H ATOM 161 3HG1 VAL A 8 13.827 -45.188 27.478 1.00 -0.32 H ATOM 162 CG2 VAL A 8 11.803 -44.112 30.077 1.00 -0.32 C ATOM 163 1HG2 VAL A 8 11.314 -45.085 30.168 1.00 -0.32 H ATOM 164 2HG2 VAL A 8 11.042 -43.343 30.197 1.00 -0.32 H ATOM 165 3HG2 VAL A 8 12.545 -44.018 30.871 1.00 -0.32 H ATOM 166 N VAL A 9 13.081 -42.128 26.211 1.00 -0.63 N ATOM 167 H VAL A 9 12.118 -41.906 26.404 1.00 -0.63 H ATOM 168 CA VAL A 9 13.560 -41.974 24.839 1.00 -0.63 C ATOM 169 HA VAL A 9 14.145 -42.854 24.569 1.00 -0.63 H ATOM 170 C VAL A 9 14.474 -40.754 24.757 1.00 -0.63 C ATOM 171 O VAL A 9 15.501 -40.808 24.098 1.00 -0.63 O ATOM 172 CB VAL A 9 12.372 -41.857 23.844 1.00 -0.63 C ATOM 173 HB VAL A 9 11.785 -40.983 24.110 1.00 -0.63 H ATOM 174 CG1 VAL A 9 12.853 -41.703 22.393 1.00 -0.63 C ATOM 175 1HG1 VAL A 9 11.999 -41.666 21.716 1.00 -0.63 H ATOM 176 2HG1 VAL A 9 13.492 -42.545 22.115 1.00 -0.63 H ATOM 177 3HG1 VAL A 9 13.421 -40.779 22.280 1.00 -0.63 H ATOM 178 CG2 VAL A 9 11.457 -43.092 23.948 1.00 -0.63 C ATOM 179 1HG2 VAL A 9 10.646 -43.011 23.225 1.00 -0.63 H ATOM 180 2HG2 VAL A 9 11.027 -43.173 24.943 1.00 -0.63 H ATOM 181 3HG2 VAL A 9 12.030 -43.998 23.733 1.00 -0.63 H ATOM 182 N ILE A 10 14.185 -39.691 25.497 1.00 0.22 N ATOM 183 H ILE A 10 13.327 -39.672 26.039 1.00 0.22 H ATOM 184 CA ILE A 10 15.099 -38.542 25.543 1.00 0.22 C ATOM 185 HA ILE A 10 15.274 -38.198 24.523 1.00 0.22 H ATOM 186 C ILE A 10 16.447 -38.998 26.112 1.00 0.22 C ATOM 187 O ILE A 10 17.500 -38.681 25.562 1.00 0.22 O ATOM 188 CB ILE A 10 14.532 -37.349 26.382 1.00 0.22 C ATOM 189 HB ILE A 10 14.325 -37.702 27.391 1.00 0.22 H ATOM 190 CG1 ILE A 10 13.217 -36.833 25.759 1.00 0.22 C ATOM 191 1HG1 ILE A 10 13.445 -36.393 24.789 1.00 0.22 H ATOM 192 2HG1 ILE A 10 12.550 -37.673 25.594 1.00 0.22 H ATOM 193 CG2 ILE A 10 15.564 -36.189 26.468 1.00 0.22 C ATOM 194 1HG2 ILE A 10 15.178 -35.374 27.081 1.00 0.22 H ATOM 195 2HG2 ILE A 10 15.792 -35.808 25.470 1.00 0.22 H ATOM 196 3HG2 ILE A 10 16.490 -36.535 26.929 1.00 0.22 H ATOM 197 CD1 ILE A 10 12.450 -35.789 26.592 1.00 0.22 C ATOM 198 1HD1 ILE A 10 11.487 -35.591 26.128 1.00 0.22 H ATOM 199 2HD1 ILE A 10 13.012 -34.856 26.642 1.00 0.22 H ATOM 200 3HD1 ILE A 10 12.283 -36.167 27.601 1.00 0.22 H ATOM 201 N ARG A 11 16.443 -39.800 27.169 1.00-10.24 N ATOM 202 H ARG A 11 15.562 -40.059 27.606 1.00-10.24 H ATOM 203 CA ARG A 11 17.703 -40.319 27.714 1.00-10.24 C ATOM 204 HA ARG A 11 18.385 -39.483 27.877 1.00-10.24 H ATOM 205 C ARG A 11 18.405 -41.262 26.746 1.00-10.24 C ATOM 206 O ARG A 11 19.625 -41.307 26.724 1.00-10.24 O ATOM 207 CB ARG A 11 17.474 -41.033 29.046 1.00-10.24 C ATOM 208 1HB ARG A 11 16.677 -41.765 28.922 1.00-10.24 H ATOM 209 2HB ARG A 11 18.388 -41.563 29.315 1.00-10.24 H ATOM 210 CG ARG A 11 17.120 -40.092 30.187 1.00-10.24 C ATOM 211 1HG ARG A 11 17.967 -39.433 30.379 1.00-10.24 H ATOM 212 2HG ARG A 11 16.259 -39.486 29.913 1.00-10.24 H ATOM 213 CD ARG A 11 16.796 -40.871 31.450 1.00-10.24 C ATOM 214 1HD ARG A 11 15.961 -41.543 31.246 1.00-10.24 H ATOM 215 2HD ARG A 11 17.669 -41.464 31.731 1.00-10.24 H ATOM 216 NE ARG A 11 16.441 -39.973 32.561 1.00-10.24 N ATOM 217 HE ARG A 11 16.438 -38.988 32.350 1.00-10.24 H ATOM 218 CZ ARG A 11 16.140 -40.335 33.801 1.00-10.24 C ATOM 219 NH1 ARG A 11 15.848 -39.408 34.673 1.00-10.24 N ATOM 220 1HH1 ARG A 11 15.859 -38.438 34.408 1.00-10.24 H ATOM 221 2HH1 ARG A 11 15.620 -39.661 35.619 1.00-10.24 H ATOM 222 NH2 ARG A 11 16.122 -41.579 34.210 1.00-10.24 N ATOM 223 1HH2 ARG A 11 16.354 -42.316 33.566 1.00-10.24 H ATOM 224 2HH2 ARG A 11 15.889 -41.799 35.163 1.00-10.24 H ATOM 225 N THR A 12 17.657 -41.968 25.916 1.00 -7.66 N ATOM 226 H THR A 12 16.650 -41.920 25.996 1.00 -7.66 H ATOM 227 CA THR A 12 18.245 -42.822 24.883 1.00 -7.66 C ATOM 228 HA THR A 12 18.987 -43.472 25.346 1.00 -7.66 H ATOM 229 C THR A 12 18.946 -41.970 23.821 1.00 -7.66 C ATOM 230 O THR A 12 20.046 -42.299 23.384 1.00 -7.66 O ATOM 231 CB THR A 12 17.161 -43.708 24.220 1.00 -7.66 C ATOM 232 HB THR A 12 16.466 -43.081 23.664 1.00 -7.66 H ATOM 233 OG1 THR A 12 16.445 -44.419 25.235 1.00 -7.66 O ATOM 234 HG1 THR A 12 16.054 -43.787 25.853 1.00 -7.66 H ATOM 235 CG2 THR A 12 17.750 -44.750 23.290 1.00 -7.66 C ATOM 236 1HG2 THR A 12 16.949 -45.384 22.911 1.00 -7.66 H ATOM 237 2HG2 THR A 12 18.467 -45.369 23.831 1.00 -7.66 H ATOM 238 3HG2 THR A 12 18.248 -44.266 22.449 1.00 -7.66 H ATOM 239 N VAL A 13 18.359 -40.841 23.446 1.00-14.63 N ATOM 240 H VAL A 13 17.441 -40.603 23.813 1.00-14.63 H ATOM 241 CA VAL A 13 18.999 -39.919 22.501 1.00-14.63 C ATOM 242 HA VAL A 13 19.282 -40.475 21.608 1.00-14.63 H ATOM 243 C VAL A 13 20.280 -39.362 23.125 1.00-14.63 C ATOM 244 O VAL A 13 21.312 -39.293 22.461 1.00-14.63 O ATOM 245 CB VAL A 13 18.032 -38.764 22.078 1.00-14.63 C ATOM 246 HB VAL A 13 17.673 -38.262 22.974 1.00-14.63 H ATOM 247 CG1 VAL A 13 18.724 -37.715 21.187 1.00-14.63 C ATOM 248 1HG1 VAL A 13 18.012 -36.937 20.915 1.00-14.63 H ATOM 249 2HG1 VAL A 13 19.111 -38.183 20.281 1.00-14.63 H ATOM 250 3HG1 VAL A 13 19.549 -37.250 21.729 1.00-14.63 H ATOM 251 CG2 VAL A 13 16.821 -39.326 21.309 1.00-14.63 C ATOM 252 1HG2 VAL A 13 16.129 -38.519 21.069 1.00-14.63 H ATOM 253 2HG2 VAL A 13 16.293 -40.059 21.911 1.00-14.63 H ATOM 254 3HG2 VAL A 13 17.151 -39.806 20.386 1.00-14.63 H ATOM 255 N VAL A 14 20.262 -39.025 24.407 1.00 5.83 N ATOM 256 H VAL A 14 19.393 -39.073 24.931 1.00 5.83 H ATOM 257 CA VAL A 14 21.488 -38.572 25.072 1.00 5.83 C ATOM 258 HA VAL A 14 21.908 -37.752 24.492 1.00 5.83 H ATOM 259 C VAL A 14 22.523 -39.698 25.080 1.00 5.83 C ATOM 260 O VAL A 14 23.671 -39.474 24.720 1.00 5.83 O ATOM 261 CB VAL A 14 21.210 -38.063 26.520 1.00 5.83 C ATOM 262 HB VAL A 14 20.711 -38.854 27.078 1.00 5.83 H ATOM 263 CG1 VAL A 14 22.506 -37.694 27.265 1.00 5.83 C ATOM 264 1HG1 VAL A 14 22.268 -37.314 28.259 1.00 5.83 H ATOM 265 2HG1 VAL A 14 23.061 -36.933 26.716 1.00 5.83 H ATOM 266 3HG1 VAL A 14 23.139 -38.575 27.380 1.00 5.83 H ATOM 267 CG2 VAL A 14 20.288 -36.832 26.488 1.00 5.83 C ATOM 268 1HG2 VAL A 14 20.075 -36.506 27.506 1.00 5.83 H ATOM 269 2HG2 VAL A 14 19.347 -37.071 26.000 1.00 5.83 H ATOM 270 3HG2 VAL A 14 20.769 -36.016 25.947 1.00 5.83 H ATOM 271 N ALA A 15 22.128 -40.914 25.425 1.00 4.28 N ATOM 272 H ALA A 15 21.161 -41.074 25.689 1.00 4.28 H ATOM 273 CA ALA A 15 23.063 -42.033 25.480 1.00 4.28 C ATOM 274 HA ALA A 15 23.870 -41.764 26.160 1.00 4.28 H ATOM 275 C ALA A 15 23.696 -42.345 24.121 1.00 4.28 C ATOM 276 O ALA A 15 24.879 -42.646 24.037 1.00 4.28 O ATOM 277 CB ALA A 15 22.350 -43.271 26.040 1.00 4.28 C ATOM 278 1HB ALA A 15 21.936 -43.045 27.023 1.00 4.28 H ATOM 279 2HB ALA A 15 23.066 -44.089 26.132 1.00 4.28 H ATOM 280 3HB ALA A 15 21.545 -43.572 25.368 1.00 4.28 H ATOM 281 N GLY A 16 22.916 -42.267 23.054 1.00 5.61 N ATOM 282 H GLY A 16 21.932 -42.034 23.158 1.00 5.61 H ATOM 283 CA GLY A 16 23.451 -42.558 21.735 1.00 5.61 C ATOM 284 1HA GLY A 16 24.106 -43.426 21.804 1.00 5.61 H ATOM 285 2HA GLY A 16 22.621 -42.802 21.072 1.00 5.61 H ATOM 286 C GLY A 16 24.236 -41.423 21.109 1.00 5.61 C ATOM 287 O GLY A 16 25.210 -41.668 20.403 1.00 5.61 O ATOM 288 N TYR A 17 23.807 -40.187 21.327 1.00 0.49 N ATOM 289 H TYR A 17 23.026 -40.027 21.958 1.00 0.49 H ATOM 290 CA TYR A 17 24.305 -39.056 20.540 1.00 0.49 C ATOM 291 HA TYR A 17 25.117 -39.410 19.906 1.00 0.49 H ATOM 292 C TYR A 17 24.838 -37.860 21.319 1.00 0.49 C ATOM 293 O TYR A 17 25.216 -36.864 20.712 1.00 0.49 O ATOM 294 CB TYR A 17 23.178 -38.578 19.618 1.00 0.49 C ATOM 295 1HB TYR A 17 22.416 -38.087 20.223 1.00 0.49 H ATOM 296 2HB TYR A 17 23.579 -37.852 18.911 1.00 0.49 H ATOM 297 CG TYR A 17 22.528 -39.710 18.850 1.00 0.49 C ATOM 298 CD1 TYR A 17 21.257 -40.196 19.222 1.00 0.49 C ATOM 299 HD1 TYR A 17 20.736 -39.742 20.048 1.00 0.49 H ATOM 300 CD2 TYR A 17 23.190 -40.324 17.768 1.00 0.49 C ATOM 301 HD2 TYR A 17 24.169 -39.975 17.468 1.00 0.49 H ATOM 302 CE1 TYR A 17 20.663 -41.287 18.537 1.00 0.49 C ATOM 303 HE1 TYR A 17 19.694 -41.658 18.834 1.00 0.49 H ATOM 304 CE2 TYR A 17 22.597 -41.417 17.076 1.00 0.49 C ATOM 305 HE2 TYR A 17 23.118 -41.886 16.257 1.00 0.49 H ATOM 306 CZ TYR A 17 21.340 -41.886 17.473 1.00 0.49 C ATOM 307 OH TYR A 17 20.765 -42.945 16.819 1.00 0.49 O ATOM 308 HH TYR A 17 21.319 -43.285 16.114 1.00 0.49 H ATOM 309 N ASN A 18 24.855 -37.922 22.643 1.00 21.33 N ATOM 310 H ASN A 18 24.484 -38.739 23.125 1.00 21.33 H ATOM 311 CA ASN A 18 25.380 -36.828 23.467 1.00 21.33 C ATOM 312 HA ASN A 18 26.150 -36.306 22.896 1.00 21.33 H ATOM 313 C ASN A 18 26.040 -37.425 24.717 1.00 21.33 C ATOM 314 O ASN A 18 25.872 -36.949 25.842 1.00 21.33 O ATOM 315 CB ASN A 18 24.257 -35.834 23.799 1.00 21.33 C ATOM 316 1HB ASN A 18 23.606 -35.758 22.930 1.00 21.33 H ATOM 317 2HB ASN A 18 23.672 -36.201 24.638 1.00 21.33 H ATOM 318 CG ASN A 18 24.771 -34.442 24.097 1.00 21.33 C ATOM 319 OD1 ASN A 18 24.623 -33.537 23.286 1.00 21.33 O ATOM 320 ND2 ASN A 18 25.379 -34.250 25.230 1.00 21.33 N ATOM 321 1HD2 ASN A 18 25.684 -33.329 25.478 1.00 21.33 H ATOM 322 2HD2 ASN A 18 25.551 -35.050 25.838 1.00 21.33 H ATOM 323 N LEU A 19 26.744 -38.523 24.494 1.00 7.90 N ATOM 324 H LEU A 19 26.801 -38.854 23.549 1.00 7.90 H ATOM 325 CA LEU A 19 27.488 -39.228 25.543 1.00 7.90 C ATOM 326 HA LEU A 19 27.721 -38.534 26.351 1.00 7.90 H ATOM 327 C LEU A 19 28.796 -39.761 24.974 1.00 7.90 C ATOM 328 O LEU A 19 29.854 -39.634 25.578 1.00 7.90 O ATOM 329 CB LEU A 19 26.653 -40.390 26.095 1.00 7.90 C ATOM 330 1HB LEU A 19 25.715 -39.978 26.466 1.00 7.90 H ATOM 331 2HB LEU A 19 26.419 -41.050 25.265 1.00 7.90 H ATOM 332 CG LEU A 19 27.269 -41.253 27.209 1.00 7.90 C ATOM 333 HG LEU A 19 28.178 -41.716 26.828 1.00 7.90 H ATOM 334 CD1 LEU A 19 27.627 -40.443 28.457 1.00 7.90 C ATOM 335 1HD1 LEU A 19 27.994 -41.109 29.237 1.00 7.90 H ATOM 336 2HD1 LEU A 19 26.753 -39.902 28.820 1.00 7.90 H ATOM 337 3HD1 LEU A 19 28.418 -39.732 28.215 1.00 7.90 H ATOM 338 CD2 LEU A 19 26.295 -42.364 27.594 1.00 7.90 C ATOM 339 1HD2 LEU A 19 26.765 -43.027 28.320 1.00 7.90 H ATOM 340 2HD2 LEU A 19 26.041 -42.948 26.707 1.00 7.90 H ATOM 341 3HD2 LEU A 19 25.386 -41.941 28.021 1.00 7.90 H ATOM 342 N TYR A 20 28.712 -40.317 23.773 1.00-17.94 N ATOM 343 H TYR A 20 27.809 -40.442 23.348 1.00-17.94 H ATOM 344 CA TYR A 20 29.883 -40.803 23.041 1.00-17.94 C ATOM 345 HA TYR A 20 30.744 -40.831 23.708 1.00-17.94 H ATOM 346 C TYR A 20 30.202 -39.852 21.889 1.00-17.94 C ATOM 347 O TYR A 20 30.898 -40.192 20.934 1.00-17.94 O ATOM 348 CB TYR A 20 29.606 -42.219 22.534 1.00-17.94 C ATOM 349 1HB TYR A 20 28.809 -42.178 21.791 1.00-17.94 H ATOM 350 2HB TYR A 20 30.506 -42.612 22.062 1.00-17.94 H ATOM 351 CG TYR A 20 29.185 -43.150 23.651 1.00-17.94 C ATOM 352 CD1 TYR A 20 27.887 -43.700 23.680 1.00-17.94 C ATOM 353 HD1 TYR A 20 27.183 -43.468 22.892 1.00-17.94 H ATOM 354 CD2 TYR A 20 30.071 -43.465 24.704 1.00-17.94 C ATOM 355 HD2 TYR A 20 31.069 -43.049 24.708 1.00-17.94 H ATOM 356 CE1 TYR A 20 27.479 -44.548 24.744 1.00-17.94 C ATOM 357 HE1 TYR A 20 26.478 -44.951 24.761 1.00-17.94 H ATOM 358 CE2 TYR A 20 29.662 -44.309 25.773 1.00-17.94 C ATOM 359 HE2 TYR A 20 30.345 -44.530 26.578 1.00-17.94 H ATOM 360 CZ TYR A 20 28.369 -44.840 25.779 1.00-17.94 C ATOM 361 OH TYR A 20 27.966 -45.646 26.813 1.00-17.94 O ATOM 362 HH TYR A 20 28.656 -45.776 27.465 1.00-17.94 H ATOM 363 N ARG A 21 29.644 -38.656 21.999 1.00 1.11 N ATOM 364 H ARG A 21 29.117 -38.420 22.834 1.00 1.11 H ATOM 365 CA ARG A 21 29.781 -37.563 21.044 1.00 1.11 C ATOM 366 HA ARG A 21 30.787 -37.518 20.629 1.00 1.11 H ATOM 367 C ARG A 21 29.528 -36.413 22.000 1.00 1.11 C ATOM 368 O ARG A 21 30.032 -35.286 21.824 1.00 1.11 O ATOM 369 OXT ARG A 21 28.728 -36.684 22.919 1.00 1.11 O ATOM 370 CB ARG A 21 28.706 -37.655 19.945 1.00 1.11 C ATOM 371 1HB ARG A 21 28.791 -38.637 19.480 1.00 1.11 H ATOM 372 2HB ARG A 21 27.726 -37.598 20.414 1.00 1.11 H ATOM 373 CG ARG A 21 28.788 -36.599 18.824 1.00 1.11 C ATOM 374 1HG ARG A 21 29.768 -36.123 18.855 1.00 1.11 H ATOM 375 2HG ARG A 21 28.682 -37.106 17.865 1.00 1.11 H ATOM 376 CD ARG A 21 27.701 -35.515 18.924 1.00 1.11 C ATOM 377 1HD ARG A 21 27.769 -34.851 18.062 1.00 1.11 H ATOM 378 2HD ARG A 21 26.722 -35.992 18.934 1.00 1.11 H ATOM 379 NE ARG A 21 27.896 -34.744 20.152 1.00 1.11 N ATOM 380 HE ARG A 21 28.833 -34.780 20.556 1.00 1.11 H ATOM 381 CZ ARG A 21 26.991 -34.116 20.879 1.00 1.11 C ATOM 382 NH1 ARG A 21 27.364 -33.709 22.054 1.00 1.11 N ATOM 383 1HH1 ARG A 21 28.299 -33.948 22.380 1.00 1.11 H ATOM 384 2HH1 ARG A 21 26.709 -33.227 22.648 1.00 1.11 H ATOM 385 NH2 ARG A 21 25.759 -33.897 20.512 1.00 1.11 N ATOM 386 1HH2 ARG A 21 25.442 -34.242 19.626 1.00 1.11 H ATOM 387 2HH2 ARG A 21 25.125 -33.450 21.159 1.00 1.11 H TER 388 ARG A 21 END
SEQUENCE	RIKRFWPVVIRTVVAGYNLYR
HELICITY	61.90	INSTAB. INDEX	18.08	FLEXIBILITY	8.00
a HYD. MOM.	58.21	b HYD. MOM.	22.30	c HYD. MOM	6.69
a MEAN HYD. MOM.	2.77	b MEAN HYD. MOM.	1.06	c MEAN HYD. MOM.	0.32
CHARGE pH5	5.00	CHARGE pH7	5.00	CHARGE pH9	4.62
Δ CHARGE pH5-pH9	0.39	ISOELECTRIC POINT	11.57	BOMAN INDEX	1.70
ΔG	2	CPP	-0,29	MLP	-1,24
MOLECULAR VOLUME		POLARITY
MIC E. coli	3	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans	3	OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	2012
TITLE PAPER	Structure-function relationship of antimicrobial peptide cathelicidin Pc-CATH1