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ID	902	NAME	RL7   Blast NCBI-PROT
LENGTH	19	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\VVIRTVVAGYNLYRAIKKK.pdb REMARK YASARA Written on: Wed May 14 11:57:07 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 335 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 19 VAL VAL ILE ARG THR VAL VAL ALA GLY TYR ASN LEU TYR SEQRES 2 A 19 ARG ALA ILE LYS LYS LYS 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 VAL A 1 23.129 -13.793 -31.263 1.00-45.56 N ATOM 2 1H VAL A 1 23.609 -13.604 -30.394 1.00-45.56 H ATOM 3 2H VAL A 1 22.346 -14.407 -31.080 1.00-45.56 H ATOM 4 3H VAL A 1 22.786 -12.928 -31.655 1.00-45.56 H ATOM 5 CA VAL A 1 24.063 -14.456 -32.221 1.00-45.56 C ATOM 6 HA VAL A 1 24.401 -15.389 -31.769 1.00-45.56 H ATOM 7 C VAL A 1 25.302 -13.596 -32.469 1.00-45.56 C ATOM 8 O VAL A 1 26.361 -13.930 -31.959 1.00-45.56 O ATOM 9 CB VAL A 1 23.343 -14.807 -33.563 1.00-45.56 C ATOM 10 HB VAL A 1 23.022 -13.881 -34.040 1.00-45.56 H ATOM 11 CG1 VAL A 1 24.280 -15.561 -34.527 1.00-45.56 C ATOM 12 1HG1 VAL A 1 23.746 -15.802 -35.450 1.00-45.56 H ATOM 13 2HG1 VAL A 1 24.631 -16.492 -34.075 1.00-45.56 H ATOM 14 3HG1 VAL A 1 25.143 -14.947 -34.791 1.00-45.56 H ATOM 15 CG2 VAL A 1 22.089 -15.667 -33.306 1.00-45.56 C ATOM 16 1HG2 VAL A 1 21.645 -15.955 -34.264 1.00-45.56 H ATOM 17 2HG2 VAL A 1 21.331 -15.113 -32.753 1.00-45.56 H ATOM 18 3HG2 VAL A 1 22.348 -16.582 -32.766 1.00-45.56 H ATOM 19 N VAL A 2 25.189 -12.495 -33.207 1.00-17.43 N ATOM 20 H VAL A 2 24.285 -12.134 -33.469 1.00-17.43 H ATOM 21 CA VAL A 2 26.341 -11.853 -33.859 1.00-17.43 C ATOM 22 HA VAL A 2 26.746 -12.574 -34.571 1.00-17.43 H ATOM 23 C VAL A 2 27.513 -11.452 -32.958 1.00-17.43 C ATOM 24 O VAL A 2 28.656 -11.672 -33.325 1.00-17.43 O ATOM 25 CB VAL A 2 25.855 -10.612 -34.675 1.00-17.43 C ATOM 26 HB VAL A 2 25.462 -9.872 -33.978 1.00-17.43 H ATOM 27 CG1 VAL A 2 26.990 -9.967 -35.483 1.00-17.43 C ATOM 28 1HG1 VAL A 2 26.602 -9.139 -36.079 1.00-17.43 H ATOM 29 2HG1 VAL A 2 27.448 -10.700 -36.151 1.00-17.43 H ATOM 30 3HG1 VAL A 2 27.755 -9.569 -34.815 1.00-17.43 H ATOM 31 CG2 VAL A 2 24.716 -11.015 -35.637 1.00-17.43 C ATOM 32 1HG2 VAL A 2 24.467 -10.168 -36.282 1.00-17.43 H ATOM 33 2HG2 VAL A 2 23.815 -11.285 -35.094 1.00-17.43 H ATOM 34 3HG2 VAL A 2 25.031 -11.847 -36.272 1.00-17.43 H ATOM 35 N ILE A 3 27.269 -10.937 -31.760 1.00-24.41 N ATOM 36 H ILE A 3 26.325 -10.777 -31.458 1.00-24.41 H ATOM 37 CA ILE A 3 28.378 -10.557 -30.876 1.00-24.41 C ATOM 38 HA ILE A 3 29.015 -9.851 -31.412 1.00-24.41 H ATOM 39 C ILE A 3 29.233 -11.785 -30.541 1.00-24.41 C ATOM 40 O ILE A 3 30.458 -11.744 -30.621 1.00-24.41 O ATOM 41 CB ILE A 3 27.864 -9.870 -29.571 1.00-24.41 C ATOM 42 HB ILE A 3 27.237 -10.579 -29.031 1.00-24.41 H ATOM 43 CG1 ILE A 3 27.007 -8.634 -29.927 1.00-24.41 C ATOM 44 1HG1 ILE A 3 27.653 -7.887 -30.390 1.00-24.41 H ATOM 45 2HG1 ILE A 3 26.251 -8.917 -30.657 1.00-24.41 H ATOM 46 CG2 ILE A 3 29.050 -9.465 -28.655 1.00-24.41 C ATOM 47 1HG2 ILE A 3 28.683 -9.025 -27.726 1.00-24.41 H ATOM 48 2HG2 ILE A 3 29.689 -8.737 -29.161 1.00-24.41 H ATOM 49 3HG2 ILE A 3 29.651 -10.336 -28.393 1.00-24.41 H ATOM 50 CD1 ILE A 3 26.270 -7.974 -28.751 1.00-24.41 C ATOM 51 1HD1 ILE A 3 25.617 -7.187 -29.130 1.00-24.41 H ATOM 52 2HD1 ILE A 3 26.983 -7.526 -28.059 1.00-24.41 H ATOM 53 3HD1 ILE A 3 25.666 -8.713 -28.222 1.00-24.41 H ATOM 54 N ARG A 4 28.606 -12.916 -30.240 1.00 0.83 N ATOM 55 H ARG A 4 27.599 -12.944 -30.229 1.00 0.83 H ATOM 56 CA ARG A 4 29.365 -14.137 -29.958 1.00 0.83 C ATOM 57 HA ARG A 4 30.133 -13.899 -29.222 1.00 0.83 H ATOM 58 C ARG A 4 30.083 -14.618 -31.211 1.00 0.83 C ATOM 59 O ARG A 4 31.192 -15.121 -31.108 1.00 0.83 O ATOM 60 CB ARG A 4 28.459 -15.242 -29.391 1.00 0.83 C ATOM 61 1HB ARG A 4 28.008 -14.872 -28.470 1.00 0.83 H ATOM 62 2HB ARG A 4 27.659 -15.439 -30.104 1.00 0.83 H ATOM 63 CG ARG A 4 29.159 -16.582 -29.092 1.00 0.83 C ATOM 64 1HG ARG A 4 28.415 -17.303 -28.752 1.00 0.83 H ATOM 65 2HG ARG A 4 29.597 -16.961 -30.015 1.00 0.83 H ATOM 66 CD ARG A 4 30.270 -16.478 -28.044 1.00 0.83 C ATOM 67 1HD ARG A 4 30.986 -15.717 -28.356 1.00 0.83 H ATOM 68 2HD ARG A 4 29.837 -16.187 -27.085 1.00 0.83 H ATOM 69 NE ARG A 4 30.986 -17.755 -27.901 1.00 0.83 N ATOM 70 HE ARG A 4 30.618 -18.534 -28.423 1.00 0.83 H ATOM 71 CZ ARG A 4 32.072 -17.972 -27.170 1.00 0.83 C ATOM 72 NH1 ARG A 4 32.611 -19.159 -27.187 1.00 0.83 N ATOM 73 1HH1 ARG A 4 32.213 -19.891 -27.751 1.00 0.83 H ATOM 74 2HH1 ARG A 4 33.435 -19.346 -26.641 1.00 0.83 H ATOM 75 NH2 ARG A 4 32.646 -17.055 -26.433 1.00 0.83 N ATOM 76 1HH2 ARG A 4 32.254 -16.130 -26.401 1.00 0.83 H ATOM 77 2HH2 ARG A 4 33.466 -17.275 -25.895 1.00 0.83 H ATOM 78 N THR A 5 29.494 -14.431 -32.380 1.00 -6.20 N ATOM 79 H THR A 5 28.569 -14.025 -32.427 1.00 -6.20 H ATOM 80 CA THR A 5 30.160 -14.789 -33.631 1.00 -6.20 C ATOM 81 HA THR A 5 30.423 -15.846 -33.594 1.00 -6.20 H ATOM 82 C THR A 5 31.444 -13.977 -33.814 1.00 -6.20 C ATOM 83 O THR A 5 32.483 -14.532 -34.153 1.00 -6.20 O ATOM 84 CB THR A 5 29.214 -14.551 -34.827 1.00 -6.20 C ATOM 85 HB THR A 5 29.076 -13.481 -34.972 1.00 -6.20 H ATOM 86 OG1 THR A 5 27.943 -15.141 -34.534 1.00 -6.20 O ATOM 87 HG1 THR A 5 27.974 -16.055 -34.829 1.00 -6.20 H ATOM 88 CG2 THR A 5 29.726 -15.171 -36.112 1.00 -6.20 C ATOM 89 1HG2 THR A 5 28.995 -15.019 -36.905 1.00 -6.20 H ATOM 90 2HG2 THR A 5 29.897 -16.240 -35.977 1.00 -6.20 H ATOM 91 3HG2 THR A 5 30.664 -14.695 -36.406 1.00 -6.20 H ATOM 92 N VAL A 6 31.407 -12.684 -33.524 1.00-10.45 N ATOM 93 H VAL A 6 30.528 -12.252 -33.248 1.00-10.45 H ATOM 94 CA VAL A 6 32.607 -11.844 -33.608 1.00-10.45 C ATOM 95 HA VAL A 6 33.046 -11.973 -34.593 1.00-10.45 H ATOM 96 C VAL A 6 33.644 -12.291 -32.580 1.00-10.45 C ATOM 97 O VAL A 6 34.836 -12.375 -32.890 1.00-10.45 O ATOM 98 CB VAL A 6 32.256 -10.335 -33.412 1.00-10.45 C ATOM 99 HB VAL A 6 31.733 -10.219 -32.464 1.00-10.45 H ATOM 100 CG1 VAL A 6 33.512 -9.440 -33.380 1.00-10.45 C ATOM 101 1HG1 VAL A 6 33.213 -8.396 -33.278 1.00-10.45 H ATOM 102 2HG1 VAL A 6 34.088 -9.562 -34.296 1.00-10.45 H ATOM 103 3HG1 VAL A 6 34.136 -9.701 -32.525 1.00-10.45 H ATOM 104 CG2 VAL A 6 31.334 -9.849 -34.544 1.00-10.45 C ATOM 105 1HG2 VAL A 6 31.069 -8.804 -34.379 1.00-10.45 H ATOM 106 2HG2 VAL A 6 30.417 -10.431 -34.568 1.00-10.45 H ATOM 107 3HG2 VAL A 6 31.836 -9.942 -35.508 1.00-10.45 H ATOM 108 N VAL A 7 33.220 -12.629 -31.371 1.00 3.16 N ATOM 109 H VAL A 7 32.235 -12.540 -31.137 1.00 3.16 H ATOM 110 CA VAL A 7 34.166 -13.108 -30.362 1.00 3.16 C ATOM 111 HA VAL A 7 34.954 -12.371 -30.275 1.00 3.16 H ATOM 112 C VAL A 7 34.818 -14.420 -30.808 1.00 3.16 C ATOM 113 O VAL A 7 36.041 -14.552 -30.766 1.00 3.16 O ATOM 114 CB VAL A 7 33.495 -13.271 -28.962 1.00 3.16 C ATOM 115 HB VAL A 7 32.630 -13.924 -29.063 1.00 3.16 H ATOM 116 CG1 VAL A 7 34.454 -13.895 -27.930 1.00 3.16 C ATOM 117 1HG1 VAL A 7 33.979 -13.925 -26.950 1.00 3.16 H ATOM 118 2HG1 VAL A 7 35.371 -13.306 -27.862 1.00 3.16 H ATOM 119 3HG1 VAL A 7 34.711 -14.913 -28.224 1.00 3.16 H ATOM 120 CG2 VAL A 7 33.026 -11.909 -28.423 1.00 3.16 C ATOM 121 1HG2 VAL A 7 32.458 -12.053 -27.504 1.00 3.16 H ATOM 122 2HG2 VAL A 7 32.385 -11.408 -29.145 1.00 3.16 H ATOM 123 3HG2 VAL A 7 33.881 -11.267 -28.213 1.00 3.16 H ATOM 124 N ALA A 8 34.016 -15.379 -31.246 1.00 4.78 N ATOM 125 H ALA A 8 33.018 -15.203 -31.317 1.00 4.78 H ATOM 126 CA ALA A 8 34.516 -16.707 -31.581 1.00 4.78 C ATOM 127 HA ALA A 8 35.174 -17.039 -30.777 1.00 4.78 H ATOM 128 C ALA A 8 35.328 -16.743 -32.878 1.00 4.78 C ATOM 129 O ALA A 8 36.330 -17.437 -32.954 1.00 4.78 O ATOM 130 CB ALA A 8 33.331 -17.680 -31.673 1.00 4.78 C ATOM 131 1HB ALA A 8 32.784 -17.687 -30.731 1.00 4.78 H ATOM 132 2HB ALA A 8 33.704 -18.684 -31.884 1.00 4.78 H ATOM 133 3HB ALA A 8 32.661 -17.373 -32.479 1.00 4.78 H ATOM 134 N GLY A 9 34.881 -16.022 -33.895 1.00 5.68 N ATOM 135 H GLY A 9 34.037 -15.463 -33.800 1.00 5.68 H ATOM 136 CA GLY A 9 35.546 -16.069 -35.187 1.00 5.68 C ATOM 137 1HA GLY A 9 35.945 -17.070 -35.347 1.00 5.68 H ATOM 138 2HA GLY A 9 34.808 -15.865 -35.962 1.00 5.68 H ATOM 139 C GLY A 9 36.677 -15.078 -35.347 1.00 5.68 C ATOM 140 O GLY A 9 37.677 -15.379 -35.988 1.00 5.68 O ATOM 141 N TYR A 10 36.543 -13.889 -34.773 1.00 -2.85 N ATOM 142 H TYR A 10 35.728 -13.686 -34.207 1.00 -2.85 H ATOM 143 CA TYR A 10 37.533 -12.839 -35.007 1.00 -2.85 C ATOM 144 HA TYR A 10 38.246 -13.194 -35.748 1.00 -2.85 H ATOM 145 C TYR A 10 38.342 -12.461 -33.784 1.00 -2.85 C ATOM 146 O TYR A 10 39.550 -12.302 -33.892 1.00 -2.85 O ATOM 147 CB TYR A 10 36.864 -11.589 -35.584 1.00 -2.85 C ATOM 148 1HB TYR A 10 36.224 -11.144 -34.824 1.00 -2.85 H ATOM 149 2HB TYR A 10 37.639 -10.870 -35.847 1.00 -2.85 H ATOM 150 CG TYR A 10 36.026 -11.880 -36.811 1.00 -2.85 C ATOM 151 CD1 TYR A 10 34.663 -11.519 -36.851 1.00 -2.85 C ATOM 152 HD1 TYR A 10 34.220 -11.006 -36.014 1.00 -2.85 H ATOM 153 CD2 TYR A 10 36.580 -12.532 -37.934 1.00 -2.85 C ATOM 154 HD2 TYR A 10 37.622 -12.824 -37.936 1.00 -2.85 H ATOM 155 CE1 TYR A 10 33.859 -11.824 -37.982 1.00 -2.85 C ATOM 156 HE1 TYR A 10 32.815 -11.551 -37.996 1.00 -2.85 H ATOM 157 CE2 TYR A 10 35.780 -12.832 -39.068 1.00 -2.85 C ATOM 158 HE2 TYR A 10 36.207 -13.340 -39.920 1.00 -2.85 H ATOM 159 CZ TYR A 10 34.429 -12.481 -39.077 1.00 -2.85 C ATOM 160 OH TYR A 10 33.669 -12.776 -40.179 1.00 -2.85 O ATOM 161 HH TYR A 10 32.759 -12.486 -40.095 1.00 -2.85 H ATOM 162 N ASN A 11 37.733 -12.306 -32.618 1.00 0.56 N ATOM 163 H ASN A 11 36.725 -12.429 -32.543 1.00 0.56 H ATOM 164 CA ASN A 11 38.527 -11.899 -31.456 1.00 0.56 C ATOM 165 HA ASN A 11 39.181 -11.086 -31.762 1.00 0.56 H ATOM 166 C ASN A 11 39.421 -13.038 -30.994 1.00 0.56 C ATOM 167 O ASN A 11 40.542 -12.795 -30.566 1.00 0.56 O ATOM 168 CB ASN A 11 37.674 -11.379 -30.300 1.00 0.56 C ATOM 169 1HB ASN A 11 36.945 -12.131 -30.023 1.00 0.56 H ATOM 170 2HB ASN A 11 38.327 -11.207 -29.444 1.00 0.56 H ATOM 171 CG ASN A 11 36.983 -10.079 -30.632 1.00 0.56 C ATOM 172 OD1 ASN A 11 37.385 -9.354 -31.535 1.00 0.56 O ATOM 173 ND2 ASN A 11 35.950 -9.761 -29.904 1.00 0.56 N ATOM 174 1HD2 ASN A 11 35.473 -8.895 -30.095 1.00 0.56 H ATOM 175 2HD2 ASN A 11 35.650 -10.364 -29.159 1.00 0.56 H ATOM 176 N LEU A 12 38.972 -14.275 -31.151 1.00 -6.51 N ATOM 177 H LEU A 12 38.011 -14.434 -31.437 1.00 -6.51 H ATOM 178 CA LEU A 12 39.833 -15.425 -30.890 1.00 -6.51 C ATOM 179 HA LEU A 12 40.226 -15.346 -29.876 1.00 -6.51 H ATOM 180 C LEU A 12 41.010 -15.444 -31.861 1.00 -6.51 C ATOM 181 O LEU A 12 42.151 -15.660 -31.456 1.00 -6.51 O ATOM 182 CB LEU A 12 39.030 -16.720 -31.027 1.00 -6.51 C ATOM 183 1HB LEU A 12 38.172 -16.658 -30.358 1.00 -6.51 H ATOM 184 2HB LEU A 12 38.653 -16.767 -32.047 1.00 -6.51 H ATOM 185 CG LEU A 12 39.768 -18.040 -30.746 1.00 -6.51 C ATOM 186 HG LEU A 12 40.603 -18.126 -31.439 1.00 -6.51 H ATOM 187 CD1 LEU A 12 40.318 -18.123 -29.320 1.00 -6.51 C ATOM 188 1HD1 LEU A 12 40.770 -19.102 -29.158 1.00 -6.51 H ATOM 189 2HD1 LEU A 12 39.518 -17.972 -28.596 1.00 -6.51 H ATOM 190 3HD1 LEU A 12 41.089 -17.365 -29.176 1.00 -6.51 H ATOM 191 CD2 LEU A 12 38.823 -19.210 -30.996 1.00 -6.51 C ATOM 192 1HD2 LEU A 12 39.359 -20.150 -30.870 1.00 -6.51 H ATOM 193 2HD2 LEU A 12 38.441 -19.161 -32.019 1.00 -6.51 H ATOM 194 3HD2 LEU A 12 37.983 -19.175 -30.303 1.00 -6.51 H ATOM 195 N TYR A 13 40.752 -15.167 -33.133 1.00 -6.92 N ATOM 196 H TYR A 13 39.804 -14.991 -33.427 1.00 -6.92 H ATOM 197 CA TYR A 13 41.824 -15.126 -34.125 1.00 -6.92 C ATOM 198 HA TYR A 13 42.353 -16.074 -34.102 1.00 -6.92 H ATOM 199 C TYR A 13 42.827 -14.019 -33.801 1.00 -6.92 C ATOM 200 O TYR A 13 44.039 -14.200 -33.906 1.00 -6.92 O ATOM 201 CB TYR A 13 41.272 -14.926 -35.536 1.00 -6.92 C ATOM 202 1HB TYR A 13 40.543 -15.709 -35.746 1.00 -6.92 H ATOM 203 2HB TYR A 13 40.774 -13.959 -35.598 1.00 -6.92 H ATOM 204 CG TYR A 13 42.371 -14.976 -36.574 1.00 -6.92 C ATOM 205 CD1 TYR A 13 42.919 -16.208 -36.985 1.00 -6.92 C ATOM 206 HD1 TYR A 13 42.517 -17.132 -36.590 1.00 -6.92 H ATOM 207 CD2 TYR A 13 42.897 -13.788 -37.125 1.00 -6.92 C ATOM 208 HD2 TYR A 13 42.491 -12.832 -36.825 1.00 -6.92 H ATOM 209 CE1 TYR A 13 43.994 -16.253 -37.915 1.00 -6.92 C ATOM 210 HE1 TYR A 13 44.401 -17.200 -38.234 1.00 -6.92 H ATOM 211 CE2 TYR A 13 43.964 -13.829 -38.062 1.00 -6.92 C ATOM 212 HE2 TYR A 13 44.358 -12.914 -38.475 1.00 -6.92 H ATOM 213 CZ TYR A 13 44.506 -15.062 -38.438 1.00 -6.92 C ATOM 214 OH TYR A 13 45.556 -15.111 -39.318 1.00 -6.92 O ATOM 215 HH TYR A 13 45.764 -14.250 -39.689 1.00 -6.92 H ATOM 216 N ARG A 14 42.328 -12.877 -33.352 1.00 -5.27 N ATOM 217 H ARG A 14 41.318 -12.766 -33.296 1.00 -5.27 H ATOM 218 CA ARG A 14 43.199 -11.774 -32.944 1.00 -5.27 C ATOM 219 HA ARG A 14 43.907 -11.566 -33.746 1.00 -5.27 H ATOM 220 C ARG A 14 44.014 -12.174 -31.723 1.00 -5.27 C ATOM 221 O ARG A 14 45.204 -11.906 -31.690 1.00 -5.27 O ATOM 222 CB ARG A 14 42.366 -10.517 -32.664 1.00 -5.27 C ATOM 223 1HB ARG A 14 41.563 -10.787 -31.981 1.00 -5.27 H ATOM 224 2HB ARG A 14 42.994 -9.770 -32.179 1.00 -5.27 H ATOM 225 CG ARG A 14 41.762 -9.901 -33.927 1.00 -5.27 C ATOM 226 1HG ARG A 14 42.516 -9.290 -34.424 1.00 -5.27 H ATOM 227 2HG ARG A 14 41.464 -10.696 -34.607 1.00 -5.27 H ATOM 228 CD ARG A 14 40.527 -9.055 -33.627 1.00 -5.27 C ATOM 229 1HD ARG A 14 39.798 -9.676 -33.108 1.00 -5.27 H ATOM 230 2HD ARG A 14 40.804 -8.219 -32.984 1.00 -5.27 H ATOM 231 NE ARG A 14 39.925 -8.551 -34.871 1.00 -5.27 N ATOM 232 HE ARG A 14 40.496 -8.615 -35.696 1.00 -5.27 H ATOM 233 CZ ARG A 14 38.718 -8.016 -35.004 1.00 -5.27 C ATOM 234 NH1 ARG A 14 38.383 -7.523 -36.164 1.00 -5.27 N ATOM 235 1HH1 ARG A 14 39.034 -7.537 -36.930 1.00 -5.27 H ATOM 236 2HH1 ARG A 14 37.471 -7.122 -36.296 1.00 -5.27 H ATOM 237 NH2 ARG A 14 37.825 -7.957 -34.049 1.00 -5.27 N ATOM 238 1HH2 ARG A 14 38.006 -8.396 -33.147 1.00 -5.27 H ATOM 239 2HH2 ARG A 14 36.947 -7.496 -34.198 1.00 -5.27 H ATOM 240 N ALA A 15 43.425 -12.864 -30.760 1.00 2.07 N ATOM 241 H ALA A 15 42.434 -13.076 -30.827 1.00 2.07 H ATOM 242 CA ALA A 15 44.154 -13.301 -29.569 1.00 2.07 C ATOM 243 HA ALA A 15 44.607 -12.422 -29.106 1.00 2.07 H ATOM 244 C ALA A 15 45.286 -14.284 -29.896 1.00 2.07 C ATOM 245 O ALA A 15 46.349 -14.249 -29.278 1.00 2.07 O ATOM 246 CB ALA A 15 43.172 -13.927 -28.569 1.00 2.07 C ATOM 247 1HB ALA A 15 42.385 -13.209 -28.328 1.00 2.07 H ATOM 248 2HB ALA A 15 43.702 -14.193 -27.654 1.00 2.07 H ATOM 249 3HB ALA A 15 42.720 -14.823 -28.997 1.00 2.07 H ATOM 250 N ILE A 16 45.099 -15.151 -30.881 1.00-10.49 N ATOM 251 H ILE A 16 44.196 -15.190 -31.352 1.00-10.49 H ATOM 252 CA ILE A 16 46.159 -16.082 -31.289 1.00-10.49 C ATOM 253 HA ILE A 16 46.734 -16.331 -30.400 1.00-10.49 H ATOM 254 C ILE A 16 47.156 -15.454 -32.276 1.00-10.49 C ATOM 255 O ILE A 16 48.009 -16.156 -32.830 1.00-10.49 O ATOM 256 CB ILE A 16 45.595 -17.440 -31.816 1.00-10.49 C ATOM 257 HB ILE A 16 46.440 -18.101 -32.011 1.00-10.49 H ATOM 258 CG1 ILE A 16 44.817 -17.261 -33.130 1.00-10.49 C ATOM 259 1HG1 ILE A 16 43.905 -16.725 -32.905 1.00-10.49 H ATOM 260 2HG1 ILE A 16 45.405 -16.650 -33.807 1.00-10.49 H ATOM 261 CG2 ILE A 16 44.714 -18.101 -30.723 1.00-10.49 C ATOM 262 1HG2 ILE A 16 44.450 -19.117 -31.019 1.00-10.49 H ATOM 263 2HG2 ILE A 16 43.794 -17.532 -30.573 1.00-10.49 H ATOM 264 3HG2 ILE A 16 45.260 -18.152 -29.781 1.00-10.49 H ATOM 265 CD1 ILE A 16 44.439 -18.551 -33.865 1.00-10.49 C ATOM 266 1HD1 ILE A 16 43.981 -18.300 -34.822 1.00-10.49 H ATOM 267 2HD1 ILE A 16 43.718 -19.120 -33.275 1.00-10.49 H ATOM 268 3HD1 ILE A 16 45.326 -19.161 -34.037 1.00-10.49 H ATOM 269 N LYS A 17 47.067 -14.145 -32.490 1.00 -4.99 N ATOM 270 H LYS A 17 46.316 -13.624 -32.047 1.00 -4.99 H ATOM 271 CA LYS A 17 48.024 -13.410 -33.335 1.00 -4.99 C ATOM 272 HA LYS A 17 48.855 -14.069 -33.572 1.00 -4.99 H ATOM 273 C LYS A 17 48.666 -12.180 -32.699 1.00 -4.99 C ATOM 274 O LYS A 17 49.815 -11.883 -32.995 1.00 -4.99 O ATOM 275 CB LYS A 17 47.350 -12.984 -34.650 1.00 -4.99 C ATOM 276 1HB LYS A 17 46.454 -12.413 -34.406 1.00 -4.99 H ATOM 277 2HB LYS A 17 48.031 -12.333 -35.198 1.00 -4.99 H ATOM 278 CG LYS A 17 46.956 -14.146 -35.564 1.00 -4.99 C ATOM 279 1HG LYS A 17 46.357 -14.848 -34.991 1.00 -4.99 H ATOM 280 2HG LYS A 17 46.345 -13.766 -36.381 1.00 -4.99 H ATOM 281 CD LYS A 17 48.175 -14.866 -36.159 1.00 -4.99 C ATOM 282 1HD LYS A 17 48.630 -14.223 -36.913 1.00 -4.99 H ATOM 283 2HD LYS A 17 48.912 -15.059 -35.383 1.00 -4.99 H ATOM 284 CE LYS A 17 47.806 -16.202 -36.781 1.00 -4.99 C ATOM 285 1HE LYS A 17 47.005 -16.062 -37.509 1.00 -4.99 H ATOM 286 2HE LYS A 17 48.683 -16.609 -37.288 1.00 -4.99 H ATOM 287 NZ LYS A 17 47.369 -17.152 -35.703 1.00 -4.99 N ATOM 288 1HZ LYS A 17 47.269 -18.085 -36.077 1.00 -4.99 H ATOM 289 2HZ LYS A 17 46.483 -16.845 -35.321 1.00 -4.99 H ATOM 290 3HZ LYS A 17 48.050 -17.157 -34.951 1.00 -4.99 H ATOM 291 N LYS A 18 47.958 -11.474 -31.830 1.00 23.73 N ATOM 292 H LYS A 18 47.008 -11.759 -31.598 1.00 23.73 H ATOM 293 CA LYS A 18 48.450 -10.250 -31.200 1.00 23.73 C ATOM 294 HA LYS A 18 49.520 -10.141 -31.374 1.00 23.73 H ATOM 295 C LYS A 18 48.197 -10.343 -29.707 1.00 23.73 C ATOM 296 O LYS A 18 47.143 -10.806 -29.280 1.00 23.73 O ATOM 297 CB LYS A 18 47.707 -9.055 -31.821 1.00 23.73 C ATOM 298 1HB LYS A 18 47.854 -9.113 -32.899 1.00 23.73 H ATOM 299 2HB LYS A 18 46.640 -9.166 -31.626 1.00 23.73 H ATOM 300 CG LYS A 18 48.149 -7.655 -31.367 1.00 23.73 C ATOM 301 1HG LYS A 18 49.176 -7.702 -31.007 1.00 23.73 H ATOM 302 2HG LYS A 18 48.115 -6.990 -32.229 1.00 23.73 H ATOM 303 CD LYS A 18 47.235 -7.075 -30.276 1.00 23.73 C ATOM 304 1HD LYS A 18 46.209 -7.077 -30.646 1.00 23.73 H ATOM 305 2HD LYS A 18 47.280 -7.703 -29.388 1.00 23.73 H ATOM 306 CE LYS A 18 47.613 -5.639 -29.893 1.00 23.73 C ATOM 307 1HE LYS A 18 47.650 -5.032 -30.799 1.00 23.73 H ATOM 308 2HE LYS A 18 46.831 -5.242 -29.243 1.00 23.73 H ATOM 309 NZ LYS A 18 48.925 -5.532 -29.169 1.00 23.73 N ATOM 310 1HZ LYS A 18 49.161 -4.571 -28.982 1.00 23.73 H ATOM 311 2HZ LYS A 18 49.663 -5.977 -29.700 1.00 23.73 H ATOM 312 3HZ LYS A 18 48.870 -6.037 -28.281 1.00 23.73 H ATOM 313 N LYS A 19 49.154 -9.861 -28.931 1.00 -7.41 N ATOM 314 H LYS A 19 49.998 -9.477 -29.345 1.00 -7.41 H ATOM 315 CA LYS A 19 49.012 -9.606 -27.496 1.00 -7.41 C ATOM 316 HA LYS A 19 47.978 -9.663 -27.156 1.00 -7.41 H ATOM 317 C LYS A 19 49.462 -8.163 -27.560 1.00 -7.41 C ATOM 318 O LYS A 19 50.291 -7.937 -28.475 1.00 -7.41 O ATOM 319 OXT LYS A 19 48.891 -7.266 -26.920 1.00 -7.41 O ATOM 320 CB LYS A 19 49.963 -10.427 -26.617 1.00 -7.41 C ATOM 321 1HB LYS A 19 50.897 -10.569 -27.160 1.00 -7.41 H ATOM 322 2HB LYS A 19 50.180 -9.841 -25.721 1.00 -7.41 H ATOM 323 CG LYS A 19 49.437 -11.791 -26.168 1.00 -7.41 C ATOM 324 1HG LYS A 19 50.128 -12.182 -25.422 1.00 -7.41 H ATOM 325 2HG LYS A 19 48.461 -11.664 -25.700 1.00 -7.41 H ATOM 326 CD LYS A 19 49.329 -12.819 -27.280 1.00 -7.41 C ATOM 327 1HD LYS A 19 48.639 -12.464 -28.040 1.00 -7.41 H ATOM 328 2HD LYS A 19 50.313 -12.966 -27.725 1.00 -7.41 H ATOM 329 CE LYS A 19 48.815 -14.140 -26.747 1.00 -7.41 C ATOM 330 1HE LYS A 19 49.517 -14.533 -26.009 1.00 -7.41 H ATOM 331 2HE LYS A 19 47.846 -13.974 -26.270 1.00 -7.41 H ATOM 332 NZ LYS A 19 48.654 -15.109 -27.872 1.00 -7.41 N ATOM 333 1HZ LYS A 19 48.361 -16.007 -27.516 1.00 -7.41 H ATOM 334 2HZ LYS A 19 49.522 -15.204 -28.377 1.00 -7.41 H ATOM 335 3HZ LYS A 19 47.935 -14.760 -28.505 1.00 -7.41 H TER 336 LYS A 19 END
SEQUENCE	VVIRTVVAGYNLYRAIKKK
HELICITY	73.70	INSTAB. INDEX	-8.36	FLEXIBILITY	8.84
a HYD. MOM.	37.99	b HYD. MOM.	16.68	c HYD. MOM	4.83
a MEAN HYD. MOM.	2.00	b MEAN HYD. MOM.	0.88	c MEAN HYD. MOM.	0.25
CHARGE pH5	5.00	CHARGE pH7	5.00	CHARGE pH9	4.56
Δ CHARGE pH5-pH9	0.45	ISOELECTRIC POINT	10.56	BOMAN INDEX	1.08
ΔG	9	CPP	-0,02	MLP	-5,98
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans	20	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