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ID	1580	NAME	Cathelicidin   Blast NCBI-PROT
LENGTH	26	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\RVKRVWPLVIRTVIAGYNLYRAIKKK.pdb REMARK YASARA Written on: Wed May 14 13:29:17 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 481 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 26 ARG VAL LYS ARG VAL TRP PRO LEU VAL ILE ARG THR VAL SEQRES 2 A 26 ILE ALA GLY TYR ASN LEU TYR 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 ARG A 1 19.210 -3.843 27.557 1.00-27.81 N ATOM 2 1H ARG A 1 19.988 -3.897 26.915 1.00-27.81 H ATOM 3 2H ARG A 1 19.223 -2.950 28.032 1.00-27.81 H ATOM 4 3H ARG A 1 18.343 -3.923 27.044 1.00-27.81 H ATOM 5 CA ARG A 1 19.300 -4.942 28.564 1.00-27.81 C ATOM 6 HA ARG A 1 19.225 -5.901 28.053 1.00-27.81 H ATOM 7 C ARG A 1 18.146 -4.823 29.539 1.00-27.81 C ATOM 8 O ARG A 1 17.575 -3.744 29.617 1.00-27.81 O ATOM 9 CB ARG A 1 20.635 -4.883 29.337 1.00-27.81 C ATOM 10 1HB ARG A 1 20.655 -5.731 30.022 1.00-27.81 H ATOM 11 2HB ARG A 1 21.457 -5.006 28.632 1.00-27.81 H ATOM 12 CG ARG A 1 20.887 -3.600 30.159 1.00-27.81 C ATOM 13 1HG ARG A 1 21.103 -2.768 29.490 1.00-27.81 H ATOM 14 2HG ARG A 1 19.997 -3.359 30.736 1.00-27.81 H ATOM 15 CD ARG A 1 22.043 -3.784 31.142 1.00-27.81 C ATOM 16 1HD ARG A 1 21.850 -4.675 31.742 1.00-27.81 H ATOM 17 2HD ARG A 1 22.971 -3.927 30.585 1.00-27.81 H ATOM 18 NE ARG A 1 22.184 -2.631 32.047 1.00-27.81 N ATOM 19 HE ARG A 1 21.548 -1.865 31.904 1.00-27.81 H ATOM 20 CZ ARG A 1 23.049 -2.515 33.048 1.00-27.81 C ATOM 21 NH1 ARG A 1 23.035 -1.428 33.766 1.00-27.81 N ATOM 22 1HH1 ARG A 1 22.382 -0.688 33.568 1.00-27.81 H ATOM 23 2HH1 ARG A 1 23.676 -1.323 34.536 1.00-27.81 H ATOM 24 NH2 ARG A 1 23.931 -3.431 33.355 1.00-27.81 N ATOM 25 1HH2 ARG A 1 23.971 -4.286 32.827 1.00-27.81 H ATOM 26 2HH2 ARG A 1 24.567 -3.286 34.123 1.00-27.81 H ATOM 27 N VAL A 2 17.823 -5.866 30.292 1.00 -3.93 N ATOM 28 H VAL A 2 18.262 -6.764 30.168 1.00 -3.93 H ATOM 29 CA VAL A 2 16.916 -5.712 31.430 1.00 -3.93 C ATOM 30 HA VAL A 2 16.048 -5.124 31.131 1.00 -3.93 H ATOM 31 C VAL A 2 17.700 -4.926 32.479 1.00 -3.93 C ATOM 32 O VAL A 2 18.930 -4.915 32.442 1.00 -3.93 O ATOM 33 CB VAL A 2 16.428 -7.080 31.991 1.00 -3.93 C ATOM 34 HB VAL A 2 15.827 -6.887 32.879 1.00 -3.93 H ATOM 35 CG1 VAL A 2 15.543 -7.791 30.961 1.00 -3.93 C ATOM 36 1HG1 VAL A 2 15.143 -8.709 31.396 1.00 -3.93 H ATOM 37 2HG1 VAL A 2 16.107 -8.045 30.064 1.00 -3.93 H ATOM 38 3HG1 VAL A 2 14.701 -7.152 30.687 1.00 -3.93 H ATOM 39 CG2 VAL A 2 17.598 -7.997 32.380 1.00 -3.93 C ATOM 40 1HG2 VAL A 2 17.204 -8.886 32.876 1.00 -3.93 H ATOM 41 2HG2 VAL A 2 18.257 -7.490 33.085 1.00 -3.93 H ATOM 42 3HG2 VAL A 2 18.168 -8.310 31.507 1.00 -3.93 H ATOM 43 N LYS A 3 17.020 -4.232 33.381 1.00 -5.63 N ATOM 44 H LYS A 3 16.012 -4.288 33.404 1.00 -5.63 H ATOM 45 CA LYS A 3 17.717 -3.335 34.314 1.00 -5.63 C ATOM 46 HA LYS A 3 18.379 -2.687 33.740 1.00 -5.63 H ATOM 47 C LYS A 3 18.598 -4.066 35.325 1.00 -5.63 C ATOM 48 O LYS A 3 19.639 -3.551 35.715 1.00 -5.63 O ATOM 49 CB LYS A 3 16.712 -2.455 35.067 1.00 -5.63 C ATOM 50 1HB LYS A 3 15.981 -3.096 35.560 1.00 -5.63 H ATOM 51 2HB LYS A 3 17.252 -1.896 35.833 1.00 -5.63 H ATOM 52 CG LYS A 3 15.973 -1.463 34.170 1.00 -5.63 C ATOM 53 1HG LYS A 3 16.701 -0.892 33.594 1.00 -5.63 H ATOM 54 2HG LYS A 3 15.327 -2.011 33.485 1.00 -5.63 H ATOM 55 CD LYS A 3 15.120 -0.500 34.990 1.00 -5.63 C ATOM 56 1HD LYS A 3 14.399 -1.074 35.574 1.00 -5.63 H ATOM 57 2HD LYS A 3 15.766 0.058 35.669 1.00 -5.63 H ATOM 58 CE LYS A 3 14.375 0.478 34.082 1.00 -5.63 C ATOM 59 1HE LYS A 3 15.106 1.006 33.465 1.00 -5.63 H ATOM 60 2HE LYS A 3 13.711 -0.086 33.421 1.00 -5.63 H ATOM 61 NZ LYS A 3 13.568 1.486 34.858 1.00 -5.63 N ATOM 62 1HZ LYS A 3 13.097 2.114 34.220 1.00 -5.63 H ATOM 63 2HZ LYS A 3 14.179 2.025 35.458 1.00 -5.63 H ATOM 64 3HZ LYS A 3 12.878 1.014 35.427 1.00 -5.63 H ATOM 65 N ARG A 4 18.176 -5.253 35.736 1.00 8.38 N ATOM 66 H ARG A 4 17.332 -5.653 35.349 1.00 8.38 H ATOM 67 CA ARG A 4 18.884 -6.056 36.731 1.00 8.38 C ATOM 68 HA ARG A 4 19.958 -5.870 36.684 1.00 8.38 H ATOM 69 C ARG A 4 18.568 -7.491 36.341 1.00 8.38 C ATOM 70 O ARG A 4 17.499 -7.720 35.788 1.00 8.38 O ATOM 71 CB ARG A 4 18.338 -5.730 38.130 1.00 8.38 C ATOM 72 1HB ARG A 4 18.418 -4.656 38.297 1.00 8.38 H ATOM 73 2HB ARG A 4 17.284 -6.003 38.145 1.00 8.38 H ATOM 74 CG ARG A 4 19.053 -6.456 39.269 1.00 8.38 C ATOM 75 1HG ARG A 4 18.994 -7.522 39.084 1.00 8.38 H ATOM 76 2HG ARG A 4 20.103 -6.165 39.280 1.00 8.38 H ATOM 77 CD ARG A 4 18.445 -6.194 40.644 1.00 8.38 C ATOM 78 1HD ARG A 4 19.006 -6.765 41.385 1.00 8.38 H ATOM 79 2HD ARG A 4 18.559 -5.134 40.876 1.00 8.38 H ATOM 80 NE ARG A 4 17.014 -6.541 40.740 1.00 8.38 N ATOM 81 HE ARG A 4 16.375 -5.761 40.748 1.00 8.38 H ATOM 82 CZ ARG A 4 16.488 -7.756 40.851 1.00 8.38 C ATOM 83 NH1 ARG A 4 15.217 -7.856 41.129 1.00 8.38 N ATOM 84 1HH1 ARG A 4 14.663 -7.029 41.286 1.00 8.38 H ATOM 85 2HH1 ARG A 4 14.780 -8.762 41.192 1.00 8.38 H ATOM 86 NH2 ARG A 4 17.154 -8.871 40.678 1.00 8.38 N ATOM 87 1HH2 ARG A 4 18.115 -8.842 40.363 1.00 8.38 H ATOM 88 2HH2 ARG A 4 16.704 -9.758 40.821 1.00 8.38 H ATOM 89 N VAL A 5 19.464 -8.423 36.631 1.00 37.67 N ATOM 90 H VAL A 5 20.316 -8.159 37.094 1.00 37.67 H ATOM 91 CA VAL A 5 19.269 -9.849 36.352 1.00 37.67 C ATOM 92 HA VAL A 5 18.240 -10.011 36.031 1.00 37.67 H ATOM 93 C VAL A 5 19.478 -10.592 37.682 1.00 37.67 C ATOM 94 O VAL A 5 19.465 -9.955 38.740 1.00 37.67 O ATOM 95 CB VAL A 5 20.215 -10.371 35.216 1.00 37.67 C ATOM 96 HB VAL A 5 21.019 -10.950 35.662 1.00 37.67 H ATOM 97 CG1 VAL A 5 19.429 -11.271 34.253 1.00 37.67 C ATOM 98 1HG1 VAL A 5 20.107 -11.690 33.507 1.00 37.67 H ATOM 99 2HG1 VAL A 5 18.652 -10.697 33.746 1.00 37.67 H ATOM 100 3HG1 VAL A 5 18.964 -12.095 34.793 1.00 37.67 H ATOM 101 CG2 VAL A 5 20.865 -9.226 34.409 1.00 37.67 C ATOM 102 1HG2 VAL A 5 21.464 -9.650 33.601 1.00 37.67 H ATOM 103 2HG2 VAL A 5 21.531 -8.642 35.042 1.00 37.67 H ATOM 104 3HG2 VAL A 5 20.101 -8.580 33.979 1.00 37.67 H ATOM 105 N TRP A 6 19.655 -11.907 37.658 1.00 17.89 N ATOM 106 H TRP A 6 19.683 -12.383 36.766 1.00 17.89 H ATOM 107 CA TRP A 6 19.859 -12.724 38.861 1.00 17.89 C ATOM 108 HA TRP A 6 18.966 -12.642 39.476 1.00 17.89 H ATOM 109 C TRP A 6 21.079 -12.287 39.692 1.00 17.89 C ATOM 110 O TRP A 6 22.224 -12.466 39.271 1.00 17.89 O ATOM 111 CB TRP A 6 20.033 -14.199 38.468 1.00 17.89 C ATOM 112 1HB TRP A 6 20.982 -14.563 38.856 1.00 17.89 H ATOM 113 2HB TRP A 6 19.242 -14.777 38.945 1.00 17.89 H ATOM 114 CG TRP A 6 19.992 -14.480 36.979 1.00 17.89 C ATOM 115 CD1 TRP A 6 19.001 -15.121 36.302 1.00 17.89 C ATOM 116 HD1 TRP A 6 18.094 -15.496 36.762 1.00 17.89 H ATOM 117 CD2 TRP A 6 20.990 -14.165 35.981 1.00 17.89 C ATOM 118 NE1 TRP A 6 19.300 -15.250 34.974 1.00 17.89 N ATOM 119 HE1 TRP A 6 18.704 -15.704 34.294 1.00 17.89 H ATOM 120 CE2 TRP A 6 20.522 -14.684 34.740 1.00 17.89 C ATOM 121 CE3 TRP A 6 22.201 -13.442 35.996 1.00 17.89 C ATOM 122 HE3 TRP A 6 22.563 -13.000 36.908 1.00 17.89 H ATOM 123 CZ2 TRP A 6 21.249 -14.543 33.541 1.00 17.89 C ATOM 124 HZ2 TRP A 6 20.876 -14.953 32.614 1.00 17.89 H ATOM 125 CZ3 TRP A 6 22.934 -13.293 34.793 1.00 17.89 C ATOM 126 HZ3 TRP A 6 23.867 -12.747 34.797 1.00 17.89 H ATOM 127 CH2 TRP A 6 22.450 -13.856 33.578 1.00 17.89 C ATOM 128 HH2 TRP A 6 23.027 -13.740 32.671 1.00 17.89 H ATOM 129 N PRO A 7 20.870 -11.730 40.901 1.00 16.49 N ATOM 130 CA PRO A 7 22.037 -11.022 41.445 1.00 16.49 C ATOM 131 HA PRO A 7 22.453 -10.362 40.685 1.00 16.49 H ATOM 132 C PRO A 7 23.165 -11.900 41.976 1.00 16.49 C ATOM 133 O PRO A 7 24.308 -11.465 42.028 1.00 16.49 O ATOM 134 CB PRO A 7 21.422 -10.174 42.560 1.00 16.49 C ATOM 135 1HB PRO A 7 22.144 -9.991 43.357 1.00 16.49 H ATOM 136 2HB PRO A 7 21.055 -9.231 42.154 1.00 16.49 H ATOM 137 CG PRO A 7 20.278 -10.991 43.041 1.00 16.49 C ATOM 138 1HG PRO A 7 20.634 -11.798 43.682 1.00 16.49 H ATOM 139 2HG PRO A 7 19.551 -10.374 43.570 1.00 16.49 H ATOM 140 CD PRO A 7 19.687 -11.547 41.766 1.00 16.49 C ATOM 141 1HD PRO A 7 19.186 -12.497 41.955 1.00 16.49 H ATOM 142 2HD PRO A 7 19.002 -10.828 41.316 1.00 16.49 H ATOM 143 N LEU A 8 22.878 -13.139 42.352 1.00-19.06 N ATOM 144 H LEU A 8 21.928 -13.472 42.313 1.00-19.06 H ATOM 145 CA LEU A 8 23.927 -14.029 42.846 1.00-19.06 C ATOM 146 HA LEU A 8 24.526 -13.500 43.588 1.00-19.06 H ATOM 147 C LEU A 8 24.850 -14.444 41.708 1.00-19.06 C ATOM 148 O LEU A 8 26.059 -14.543 41.879 1.00-19.06 O ATOM 149 CB LEU A 8 23.314 -15.275 43.493 1.00-19.06 C ATOM 150 1HB LEU A 8 22.733 -15.799 42.734 1.00-19.06 H ATOM 151 2HB LEU A 8 24.132 -15.931 43.793 1.00-19.06 H ATOM 152 CG LEU A 8 22.409 -15.058 44.718 1.00-19.06 C ATOM 153 HG LEU A 8 21.587 -14.403 44.430 1.00-19.06 H ATOM 154 CD1 LEU A 8 21.818 -16.391 45.159 1.00-19.06 C ATOM 155 1HD1 LEU A 8 21.141 -16.237 46.000 1.00-19.06 H ATOM 156 2HD1 LEU A 8 22.611 -17.077 45.464 1.00-19.06 H ATOM 157 3HD1 LEU A 8 21.253 -16.840 44.341 1.00-19.06 H ATOM 158 CD2 LEU A 8 23.147 -14.410 45.895 1.00-19.06 C ATOM 159 1HD2 LEU A 8 22.473 -14.330 46.750 1.00-19.06 H ATOM 160 2HD2 LEU A 8 23.482 -13.411 45.624 1.00-19.06 H ATOM 161 3HD2 LEU A 8 24.007 -15.021 46.179 1.00-19.06 H ATOM 162 N VAL A 9 24.283 -14.631 40.527 1.00 -9.91 N ATOM 163 H VAL A 9 23.292 -14.503 40.417 1.00 -9.91 H ATOM 164 CA VAL A 9 25.066 -15.013 39.353 1.00 -9.91 C ATOM 165 HA VAL A 9 25.739 -15.829 39.619 1.00 -9.91 H ATOM 166 C VAL A 9 25.904 -13.810 38.932 1.00 -9.91 C ATOM 167 O VAL A 9 27.078 -13.952 38.606 1.00 -9.91 O ATOM 168 CB VAL A 9 24.136 -15.482 38.203 1.00 -9.91 C ATOM 169 HB VAL A 9 23.465 -14.666 37.965 1.00 -9.91 H ATOM 170 CG1 VAL A 9 24.924 -15.857 36.941 1.00 -9.91 C ATOM 171 1HG1 VAL A 9 24.237 -16.189 36.161 1.00 -9.91 H ATOM 172 2HG1 VAL A 9 25.634 -16.657 37.160 1.00 -9.91 H ATOM 173 3HG1 VAL A 9 25.468 -14.990 36.565 1.00 -9.91 H ATOM 174 CG2 VAL A 9 23.283 -16.682 38.651 1.00 -9.91 C ATOM 175 1HG2 VAL A 9 22.647 -17.006 37.825 1.00 -9.91 H ATOM 176 2HG2 VAL A 9 22.640 -16.410 39.486 1.00 -9.91 H ATOM 177 3HG2 VAL A 9 23.928 -17.512 38.948 1.00 -9.91 H ATOM 178 N ILE A 10 25.347 -12.610 39.026 1.00 -0.20 N ATOM 179 H ILE A 10 24.376 -12.523 39.304 1.00 -0.20 H ATOM 180 CA ILE A 10 26.116 -11.400 38.724 1.00 -0.20 C ATOM 181 HA ILE A 10 26.534 -11.497 37.721 1.00 -0.20 H ATOM 182 C ILE A 10 27.291 -11.297 39.701 1.00 -0.20 C ATOM 183 O ILE A 10 28.419 -11.064 39.284 1.00 -0.20 O ATOM 184 CB ILE A 10 25.232 -10.113 38.776 1.00 -0.20 C ATOM 185 HB ILE A 10 24.763 -10.057 39.757 1.00 -0.20 H ATOM 186 CG1 ILE A 10 24.131 -10.179 37.700 1.00 -0.20 C ATOM 187 1HG1 ILE A 10 24.593 -10.051 36.721 1.00 -0.20 H ATOM 188 2HG1 ILE A 10 23.672 -11.162 37.714 1.00 -0.20 H ATOM 189 CG2 ILE A 10 26.083 -8.837 38.561 1.00 -0.20 C ATOM 190 1HG2 ILE A 10 25.459 -7.945 38.600 1.00 -0.20 H ATOM 191 2HG2 ILE A 10 26.591 -8.878 37.595 1.00 -0.20 H ATOM 192 3HG2 ILE A 10 26.830 -8.751 39.347 1.00 -0.20 H ATOM 193 CD1 ILE A 10 23.010 -9.144 37.851 1.00 -0.20 C ATOM 194 1HD1 ILE A 10 22.243 -9.353 37.114 1.00 -0.20 H ATOM 195 2HD1 ILE A 10 23.396 -8.139 37.683 1.00 -0.20 H ATOM 196 3HD1 ILE A 10 22.571 -9.208 38.845 1.00 -0.20 H ATOM 197 N ARG A 11 27.076 -11.540 40.988 1.00 -9.16 N ATOM 198 H ARG A 11 26.132 -11.746 41.308 1.00 -9.16 H ATOM 199 CA ARG A 11 28.180 -11.509 41.956 1.00 -9.16 C ATOM 200 HA ARG A 11 28.700 -10.556 41.868 1.00 -9.16 H ATOM 201 C ARG A 11 29.215 -12.595 41.692 1.00 -9.16 C ATOM 202 O ARG A 11 30.403 -12.371 41.901 1.00 -9.16 O ATOM 203 CB ARG A 11 27.654 -11.654 43.385 1.00 -9.16 C ATOM 204 1HB ARG A 11 26.980 -12.509 43.425 1.00 -9.16 H ATOM 205 2HB ARG A 11 28.499 -11.849 44.047 1.00 -9.16 H ATOM 206 CG ARG A 11 26.932 -10.418 43.902 1.00 -9.16 C ATOM 207 1HG ARG A 11 27.638 -9.589 43.946 1.00 -9.16 H ATOM 208 2HG ARG A 11 26.121 -10.152 43.229 1.00 -9.16 H ATOM 209 CD ARG A 11 26.366 -10.671 45.291 1.00 -9.16 C ATOM 210 1HD ARG A 11 25.657 -11.499 45.238 1.00 -9.16 H ATOM 211 2HD ARG A 11 27.185 -10.948 45.958 1.00 -9.16 H ATOM 212 NE ARG A 11 25.689 -9.479 45.828 1.00 -9.16 N ATOM 213 HE ARG A 11 25.670 -8.671 45.226 1.00 -9.16 H ATOM 214 CZ ARG A 11 25.119 -9.368 47.021 1.00 -9.16 C ATOM 215 NH1 ARG A 11 24.545 -8.241 47.341 1.00 -9.16 N ATOM 216 1HH1 ARG A 11 24.545 -7.466 46.697 1.00 -9.16 H ATOM 217 2HH1 ARG A 11 24.107 -8.134 48.243 1.00 -9.16 H ATOM 218 NH2 ARG A 11 25.098 -10.333 47.907 1.00 -9.16 N ATOM 219 1HH2 ARG A 11 25.545 -11.211 47.699 1.00 -9.16 H ATOM 220 2HH2 ARG A 11 24.645 -10.201 48.797 1.00 -9.16 H ATOM 221 N THR A 12 28.785 -13.738 41.188 1.00-10.12 N ATOM 222 H THR A 12 27.791 -13.884 41.056 1.00-10.12 H ATOM 223 CA THR A 12 29.709 -14.810 40.819 1.00-10.12 C ATOM 224 HA THR A 12 30.338 -15.038 41.679 1.00-10.12 H ATOM 225 C THR A 12 30.614 -14.353 39.674 1.00-10.12 C ATOM 226 O THR A 12 31.819 -14.577 39.712 1.00-10.12 O ATOM 227 CB THR A 12 28.940 -16.092 40.417 1.00-10.12 C ATOM 228 HB THR A 12 28.367 -15.909 39.510 1.00-10.12 H ATOM 229 OG1 THR A 12 28.048 -16.457 41.474 1.00-10.12 O ATOM 230 HG1 THR A 12 27.376 -15.767 41.582 1.00-10.12 H ATOM 231 CG2 THR A 12 29.860 -17.278 40.199 1.00-10.12 C ATOM 232 1HG2 THR A 12 29.258 -18.158 39.976 1.00-10.12 H ATOM 233 2HG2 THR A 12 30.443 -17.467 41.101 1.00-10.12 H ATOM 234 3HG2 THR A 12 30.531 -17.087 39.362 1.00-10.12 H ATOM 235 N VAL A 13 30.073 -13.658 38.682 1.00 -9.14 N ATOM 236 H VAL A 13 29.065 -13.500 38.663 1.00 -9.14 H ATOM 237 CA VAL A 13 30.892 -13.120 37.590 1.00 -9.14 C ATOM 238 HA VAL A 13 31.537 -13.913 37.221 1.00 -9.14 H ATOM 239 C VAL A 13 31.789 -11.984 38.100 1.00 -9.14 C ATOM 240 O VAL A 13 32.962 -11.884 37.714 1.00 -9.14 O ATOM 241 CB VAL A 13 29.996 -12.637 36.405 1.00 -9.14 C ATOM 242 HB VAL A 13 29.315 -11.869 36.768 1.00 -9.14 H ATOM 243 CG1 VAL A 13 30.830 -12.050 35.254 1.00 -9.14 C ATOM 244 1HG1 VAL A 13 30.172 -11.756 34.435 1.00 -9.14 H ATOM 245 2HG1 VAL A 13 31.545 -12.789 34.889 1.00 -9.14 H ATOM 246 3HG1 VAL A 13 31.367 -11.166 35.592 1.00 -9.14 H ATOM 247 CG2 VAL A 13 29.166 -13.810 35.846 1.00 -9.14 C ATOM 248 1HG2 VAL A 13 28.532 -13.456 35.032 1.00 -9.14 H ATOM 249 2HG2 VAL A 13 28.522 -14.227 36.616 1.00 -9.14 H ATOM 250 3HG2 VAL A 13 29.824 -14.595 35.471 1.00 -9.14 H ATOM 251 N ILE A 14 31.282 -11.151 39.000 1.00 -8.61 N ATOM 252 H ILE A 14 30.309 -11.254 39.287 1.00 -8.61 H ATOM 253 CA ILE A 14 32.091 -10.079 39.588 1.00 -8.61 C ATOM 254 HA ILE A 14 32.484 -9.468 38.782 1.00 -8.61 H ATOM 255 C ILE A 14 33.292 -10.684 40.307 1.00 -8.61 C ATOM 256 O ILE A 14 34.405 -10.234 40.079 1.00 -8.61 O ATOM 257 CB ILE A 14 31.282 -9.146 40.544 1.00 -8.61 C ATOM 258 HB ILE A 14 30.748 -9.763 41.264 1.00 -8.61 H ATOM 259 CG1 ILE A 14 30.268 -8.320 39.728 1.00 -8.61 C ATOM 260 1HG1 ILE A 14 30.818 -7.587 39.138 1.00 -8.61 H ATOM 261 2HG1 ILE A 14 29.754 -8.975 39.030 1.00 -8.61 H ATOM 262 CG2 ILE A 14 32.219 -8.176 41.326 1.00 -8.61 C ATOM 263 1HG2 ILE A 14 31.638 -7.528 41.981 1.00 -8.61 H ATOM 264 2HG2 ILE A 14 32.793 -7.559 40.632 1.00 -8.61 H ATOM 265 3HG2 ILE A 14 32.909 -8.739 41.955 1.00 -8.61 H ATOM 266 CD1 ILE A 14 29.200 -7.580 40.551 1.00 -8.61 C ATOM 267 1HD1 ILE A 14 28.511 -7.078 39.871 1.00 -8.61 H ATOM 268 2HD1 ILE A 14 29.663 -6.829 41.190 1.00 -8.61 H ATOM 269 3HD1 ILE A 14 28.645 -8.290 41.162 1.00 -8.61 H ATOM 270 N ALA A 15 33.123 -11.716 41.116 1.00 4.78 N ATOM 271 H ALA A 15 32.187 -12.074 41.305 1.00 4.78 H ATOM 272 CA ALA A 15 34.279 -12.333 41.757 1.00 4.78 C ATOM 273 HA ALA A 15 34.889 -11.549 42.207 1.00 4.78 H ATOM 274 C ALA A 15 35.142 -13.074 40.723 1.00 4.78 C ATOM 275 O ALA A 15 36.294 -12.720 40.461 1.00 4.78 O ATOM 276 CB ALA A 15 33.801 -13.285 42.865 1.00 4.78 C ATOM 277 1HB ALA A 15 33.283 -12.716 43.638 1.00 4.78 H ATOM 278 2HB ALA A 15 34.660 -13.788 43.311 1.00 4.78 H ATOM 279 3HB ALA A 15 33.119 -14.034 42.460 1.00 4.78 H ATOM 280 N GLY A 16 34.543 -14.085 40.114 1.00 5.81 N ATOM 281 H GLY A 16 33.544 -14.228 40.256 1.00 5.81 H ATOM 282 CA GLY A 16 35.254 -15.063 39.307 1.00 5.81 C ATOM 283 1HA GLY A 16 35.993 -15.557 39.932 1.00 5.81 H ATOM 284 2HA GLY A 16 34.529 -15.813 38.991 1.00 5.81 H ATOM 285 C GLY A 16 35.952 -14.555 38.068 1.00 5.81 C ATOM 286 O GLY A 16 36.981 -15.110 37.674 1.00 5.81 O ATOM 287 N TYR A 17 35.403 -13.527 37.439 1.00 -0.53 N ATOM 288 H TYR A 17 34.569 -13.093 37.828 1.00 -0.53 H ATOM 289 CA TYR A 17 35.937 -13.018 36.177 1.00 -0.53 C ATOM 290 HA TYR A 17 36.785 -13.623 35.871 1.00 -0.53 H ATOM 291 C TYR A 17 36.429 -11.586 36.287 1.00 -0.53 C ATOM 292 O TYR A 17 37.459 -11.247 35.710 1.00 -0.53 O ATOM 293 CB TYR A 17 34.873 -13.108 35.081 1.00 -0.53 C ATOM 294 1HB TYR A 17 33.974 -12.595 35.415 1.00 -0.53 H ATOM 295 2HB TYR A 17 35.246 -12.596 34.194 1.00 -0.53 H ATOM 296 CG TYR A 17 34.518 -14.530 34.694 1.00 -0.53 C ATOM 297 CD1 TYR A 17 33.665 -15.317 35.497 1.00 -0.53 C ATOM 298 HD1 TYR A 17 33.245 -14.905 36.403 1.00 -0.53 H ATOM 299 CD2 TYR A 17 35.029 -15.094 33.506 1.00 -0.53 C ATOM 300 HD2 TYR A 17 35.670 -14.506 32.864 1.00 -0.53 H ATOM 301 CE1 TYR A 17 33.354 -16.654 35.138 1.00 -0.53 C ATOM 302 HE1 TYR A 17 32.711 -17.255 35.765 1.00 -0.53 H ATOM 303 CE2 TYR A 17 34.701 -16.427 33.132 1.00 -0.53 C ATOM 304 HE2 TYR A 17 35.080 -16.841 32.210 1.00 -0.53 H ATOM 305 CZ TYR A 17 33.871 -17.192 33.958 1.00 -0.53 C ATOM 306 OH TYR A 17 33.566 -18.486 33.624 1.00 -0.53 O ATOM 307 HH TYR A 17 33.871 -18.731 32.748 1.00 -0.53 H ATOM 308 N ASN A 18 35.744 -10.736 37.034 1.00 28.06 N ATOM 309 H ASN A 18 34.917 -11.036 37.542 1.00 28.06 H ATOM 310 CA ASN A 18 36.191 -9.348 37.105 1.00 28.06 C ATOM 311 HA ASN A 18 36.640 -9.084 36.150 1.00 28.06 H ATOM 312 C ASN A 18 37.280 -9.188 38.157 1.00 28.06 C ATOM 313 O ASN A 18 38.420 -8.904 37.812 1.00 28.06 O ATOM 314 CB ASN A 18 35.023 -8.387 37.328 1.00 28.06 C ATOM 315 1HB ASN A 18 34.424 -8.713 38.166 1.00 28.06 H ATOM 316 2HB ASN A 18 35.420 -7.399 37.549 1.00 28.06 H ATOM 317 CG ASN A 18 34.154 -8.261 36.109 1.00 28.06 C ATOM 318 OD1 ASN A 18 34.527 -7.621 35.148 1.00 28.06 O ATOM 319 ND2 ASN A 18 33.008 -8.883 36.124 1.00 28.06 N ATOM 320 1HD2 ASN A 18 32.410 -8.786 35.320 1.00 28.06 H ATOM 321 2HD2 ASN A 18 32.743 -9.449 36.911 1.00 28.06 H ATOM 322 N LEU A 19 36.980 -9.426 39.421 1.00 19.58 N ATOM 323 H LEU A 19 36.040 -9.740 39.666 1.00 19.58 H ATOM 324 CA LEU A 19 37.943 -9.220 40.501 1.00 19.58 C ATOM 325 HA LEU A 19 38.272 -8.184 40.487 1.00 19.58 H ATOM 326 C LEU A 19 39.174 -10.095 40.346 1.00 19.58 C ATOM 327 O LEU A 19 40.303 -9.645 40.525 1.00 19.58 O ATOM 328 CB LEU A 19 37.259 -9.516 41.839 1.00 19.58 C ATOM 329 1HB LEU A 19 36.356 -8.907 41.893 1.00 19.58 H ATOM 330 2HB LEU A 19 36.953 -10.560 41.831 1.00 19.58 H ATOM 331 CG LEU A 19 38.061 -9.287 43.129 1.00 19.58 C ATOM 332 HG LEU A 19 38.949 -9.916 43.103 1.00 19.58 H ATOM 333 CD1 LEU A 19 38.502 -7.833 43.298 1.00 19.58 C ATOM 334 1HD1 LEU A 19 39.011 -7.712 44.255 1.00 19.58 H ATOM 335 2HD1 LEU A 19 37.637 -7.169 43.268 1.00 19.58 H ATOM 336 3HD1 LEU A 19 39.198 -7.559 42.505 1.00 19.58 H ATOM 337 CD2 LEU A 19 37.208 -9.713 44.321 1.00 19.58 C ATOM 338 1HD2 LEU A 19 37.782 -9.604 45.241 1.00 19.58 H ATOM 339 2HD2 LEU A 19 36.917 -10.759 44.215 1.00 19.58 H ATOM 340 3HD2 LEU A 19 36.311 -9.095 44.386 1.00 19.58 H ATOM 341 N TYR A 20 38.976 -11.351 39.982 1.00 8.31 N ATOM 342 H TYR A 20 38.029 -11.710 39.861 1.00 8.31 H ATOM 343 CA TYR A 20 40.115 -12.249 39.853 1.00 8.31 C ATOM 344 HA TYR A 20 40.809 -12.021 40.660 1.00 8.31 H ATOM 345 C TYR A 20 40.888 -12.084 38.546 1.00 8.31 C ATOM 346 O TYR A 20 42.016 -12.575 38.466 1.00 8.31 O ATOM 347 CB TYR A 20 39.677 -13.706 40.024 1.00 8.31 C ATOM 348 1HB TYR A 20 39.001 -13.955 39.206 1.00 8.31 H ATOM 349 2HB TYR A 20 40.556 -14.345 39.939 1.00 8.31 H ATOM 350 CG TYR A 20 38.971 -14.033 41.335 1.00 8.31 C ATOM 351 CD1 TYR A 20 38.152 -15.176 41.413 1.00 8.31 C ATOM 352 HD1 TYR A 20 38.085 -15.844 40.567 1.00 8.31 H ATOM 353 CD2 TYR A 20 39.077 -13.210 42.488 1.00 8.31 C ATOM 354 HD2 TYR A 20 39.722 -12.345 42.499 1.00 8.31 H ATOM 355 CE1 TYR A 20 37.393 -15.456 42.580 1.00 8.31 C ATOM 356 HE1 TYR A 20 36.750 -16.322 42.620 1.00 8.31 H ATOM 357 CE2 TYR A 20 38.317 -13.491 43.654 1.00 8.31 C ATOM 358 HE2 TYR A 20 38.386 -12.846 44.516 1.00 8.31 H ATOM 359 CZ TYR A 20 37.470 -14.601 43.678 1.00 8.31 C ATOM 360 OH TYR A 20 36.705 -14.864 44.784 1.00 8.31 O ATOM 361 HH TYR A 20 36.850 -14.237 45.495 1.00 8.31 H ATOM 362 N ARG A 21 40.326 -11.414 37.541 1.00 1.18 N ATOM 363 H ARG A 21 39.421 -10.976 37.677 1.00 1.18 H ATOM 364 CA ARG A 21 40.993 -11.275 36.231 1.00 1.18 C ATOM 365 HA ARG A 21 42.052 -11.473 36.393 1.00 1.18 H ATOM 366 C ARG A 21 40.930 -9.889 35.586 1.00 1.18 C ATOM 367 O ARG A 21 41.967 -9.265 35.433 1.00 1.18 O ATOM 368 CB ARG A 21 40.498 -12.329 35.215 1.00 1.18 C ATOM 369 1HB ARG A 21 39.701 -11.901 34.611 1.00 1.18 H ATOM 370 2HB ARG A 21 41.323 -12.563 34.542 1.00 1.18 H ATOM 371 CG ARG A 21 39.970 -13.634 35.810 1.00 1.18 C ATOM 372 1HG ARG A 21 40.748 -14.109 36.409 1.00 1.18 H ATOM 373 2HG ARG A 21 39.119 -13.409 36.451 1.00 1.18 H ATOM 374 CD ARG A 21 39.500 -14.610 34.747 1.00 1.18 C ATOM 375 1HD ARG A 21 38.948 -14.069 33.978 1.00 1.18 H ATOM 376 2HD ARG A 21 40.364 -15.105 34.301 1.00 1.18 H ATOM 377 NE ARG A 21 38.605 -15.590 35.375 1.00 1.18 N ATOM 378 HE ARG A 21 38.345 -15.410 36.344 1.00 1.18 H ATOM 379 CZ ARG A 21 38.041 -16.646 34.810 1.00 1.18 C ATOM 380 NH1 ARG A 21 37.180 -17.315 35.520 1.00 1.18 N ATOM 381 1HH1 ARG A 21 36.953 -16.988 36.452 1.00 1.18 H ATOM 382 2HH1 ARG A 21 36.727 -18.133 35.149 1.00 1.18 H ATOM 383 NH2 ARG A 21 38.294 -17.045 33.589 1.00 1.18 N ATOM 384 1HH2 ARG A 21 38.960 -16.538 33.030 1.00 1.18 H ATOM 385 2HH2 ARG A 21 37.827 -17.852 33.213 1.00 1.18 H ATOM 386 N ALA A 22 39.759 -9.407 35.193 1.00 12.77 N ATOM 387 H ALA A 22 38.913 -9.939 35.379 1.00 12.77 H ATOM 388 CA ALA A 22 39.651 -8.162 34.419 1.00 12.77 C ATOM 389 HA ALA A 22 40.345 -8.234 33.579 1.00 12.77 H ATOM 390 C ALA A 22 40.010 -6.870 35.170 1.00 12.77 C ATOM 391 O ALA A 22 40.545 -5.936 34.597 1.00 12.77 O ATOM 392 CB ALA A 22 38.234 -8.050 33.841 1.00 12.77 C ATOM 393 1HB ALA A 22 37.967 -8.968 33.317 1.00 12.77 H ATOM 394 2HB ALA A 22 38.202 -7.218 33.134 1.00 12.77 H ATOM 395 3HB ALA A 22 37.513 -7.856 34.635 1.00 12.77 H ATOM 396 N ILE A 23 39.733 -6.808 36.464 1.00 11.37 N ATOM 397 H ILE A 23 39.269 -7.593 36.915 1.00 11.37 H ATOM 398 CA ILE A 23 40.065 -5.622 37.261 1.00 11.37 C ATOM 399 HA ILE A 23 39.750 -4.733 36.716 1.00 11.37 H ATOM 400 C ILE A 23 41.590 -5.553 37.393 1.00 11.37 C ATOM 401 O ILE A 23 42.169 -4.473 37.515 1.00 11.37 O ATOM 402 CB ILE A 23 39.311 -5.639 38.638 1.00 11.37 C ATOM 403 HB ILE A 23 39.509 -6.588 39.136 1.00 11.37 H ATOM 404 CG1 ILE A 23 37.795 -5.508 38.366 1.00 11.37 C ATOM 405 1HG1 ILE A 23 37.624 -4.557 37.860 1.00 11.37 H ATOM 406 2HG1 ILE A 23 37.495 -6.297 37.680 1.00 11.37 H ATOM 407 CG2 ILE A 23 39.778 -4.491 39.573 1.00 11.37 C ATOM 408 1HG2 ILE A 23 39.271 -4.555 40.536 1.00 11.37 H ATOM 409 2HG2 ILE A 23 39.569 -3.523 39.117 1.00 11.37 H ATOM 410 3HG2 ILE A 23 40.849 -4.574 39.762 1.00 11.37 H ATOM 411 CD1 ILE A 23 36.854 -5.568 39.587 1.00 11.37 C ATOM 412 1HD1 ILE A 23 35.820 -5.598 39.243 1.00 11.37 H ATOM 413 2HD1 ILE A 23 36.985 -4.683 40.209 1.00 11.37 H ATOM 414 3HD1 ILE A 23 37.057 -6.457 40.178 1.00 11.37 H ATOM 415 N LYS A 24 42.251 -6.700 37.313 1.00-19.88 N ATOM 416 H LYS A 24 41.736 -7.558 37.194 1.00-19.88 H ATOM 417 CA LYS A 24 43.716 -6.735 37.324 1.00-19.88 C ATOM 418 HA LYS A 24 44.087 -5.984 38.023 1.00-19.88 H ATOM 419 C LYS A 24 44.246 -6.398 35.931 1.00-19.88 C ATOM 420 O LYS A 24 45.035 -5.474 35.766 1.00-19.88 O ATOM 421 CB LYS A 24 44.219 -8.121 37.739 1.00-19.88 C ATOM 422 1HB LYS A 24 43.873 -8.848 37.010 1.00-19.88 H ATOM 423 2HB LYS A 24 45.310 -8.118 37.721 1.00-19.88 H ATOM 424 CG LYS A 24 43.749 -8.583 39.111 1.00-19.88 C ATOM 425 1HG LYS A 24 44.167 -7.937 39.883 1.00-19.88 H ATOM 426 2HG LYS A 24 42.661 -8.547 39.157 1.00-19.88 H ATOM 427 CD LYS A 24 44.190 -10.017 39.333 1.00-19.88 C ATOM 428 1HD LYS A 24 43.800 -10.623 38.514 1.00-19.88 H ATOM 429 2HD LYS A 24 45.279 -10.071 39.326 1.00-19.88 H ATOM 430 CE LYS A 24 43.658 -10.567 40.646 1.00-19.88 C ATOM 431 1HE LYS A 24 44.141 -10.055 41.481 1.00-19.88 H ATOM 432 2HE LYS A 24 42.583 -10.384 40.695 1.00-19.88 H ATOM 433 NZ LYS A 24 43.908 -12.046 40.714 1.00-19.88 N ATOM 434 1HZ LYS A 24 43.553 -12.419 41.584 1.00-19.88 H ATOM 435 2HZ LYS A 24 44.898 -12.234 40.645 1.00-19.88 H ATOM 436 3HZ LYS A 24 43.429 -12.498 39.939 1.00-19.88 H ATOM 437 N LYS A 25 43.809 -7.149 34.930 1.00 11.21 N ATOM 438 H LYS A 25 43.142 -7.893 35.119 1.00 11.21 H ATOM 439 CA LYS A 25 44.222 -6.935 33.542 1.00 11.21 C ATOM 440 HA LYS A 25 45.149 -6.362 33.538 1.00 11.21 H ATOM 441 C LYS A 25 43.164 -6.103 32.837 1.00 11.21 C ATOM 442 O LYS A 25 42.292 -6.621 32.131 1.00 11.21 O ATOM 443 CB LYS A 25 44.477 -8.257 32.805 1.00 11.21 C ATOM 444 1HB LYS A 25 45.185 -8.844 33.389 1.00 11.21 H ATOM 445 2HB LYS A 25 43.545 -8.818 32.745 1.00 11.21 H ATOM 446 CG LYS A 25 45.062 -8.051 31.393 1.00 11.21 C ATOM 447 1HG LYS A 25 45.243 -6.987 31.242 1.00 11.21 H ATOM 448 2HG LYS A 25 46.019 -8.568 31.326 1.00 11.21 H ATOM 449 CD LYS A 25 44.140 -8.571 30.278 1.00 11.21 C ATOM 450 1HD LYS A 25 44.506 -9.546 29.955 1.00 11.21 H ATOM 451 2HD LYS A 25 43.129 -8.698 30.665 1.00 11.21 H ATOM 452 CE LYS A 25 44.072 -7.633 29.065 1.00 11.21 C ATOM 453 1HE LYS A 25 45.085 -7.404 28.728 1.00 11.21 H ATOM 454 2HE LYS A 25 43.548 -8.152 28.262 1.00 11.21 H ATOM 455 NZ LYS A 25 43.341 -6.352 29.360 1.00 11.21 N ATOM 456 1HZ LYS A 25 43.081 -5.866 28.514 1.00 11.21 H ATOM 457 2HZ LYS A 25 43.922 -5.714 29.905 1.00 11.21 H ATOM 458 3HZ LYS A 25 42.507 -6.529 29.911 1.00 11.21 H ATOM 459 N LYS A 26 43.287 -4.804 33.028 1.00 -5.91 N ATOM 460 H LYS A 26 44.018 -4.470 33.634 1.00 -5.91 H ATOM 461 CA LYS A 26 42.461 -3.829 32.324 1.00 -5.91 C ATOM 462 HA LYS A 26 41.426 -4.172 32.291 1.00 -5.91 H ATOM 463 C LYS A 26 43.010 -3.778 30.911 1.00 -5.91 C ATOM 464 O LYS A 26 44.223 -4.061 30.790 1.00 -5.91 O ATOM 465 OXT LYS A 26 42.240 -3.650 29.946 1.00 -5.91 O ATOM 466 CB LYS A 26 42.549 -2.475 33.022 1.00 -5.91 C ATOM 467 1HB LYS A 26 43.591 -2.156 33.030 1.00 -5.91 H ATOM 468 2HB LYS A 26 41.961 -1.748 32.461 1.00 -5.91 H ATOM 469 CG LYS A 26 42.040 -2.546 34.455 1.00 -5.91 C ATOM 470 1HG LYS A 26 41.001 -2.874 34.454 1.00 -5.91 H ATOM 471 2HG LYS A 26 42.637 -3.266 35.014 1.00 -5.91 H ATOM 472 CD LYS A 26 42.143 -1.209 35.153 1.00 -5.91 C ATOM 473 1HD LYS A 26 43.174 -0.858 35.098 1.00 -5.91 H ATOM 474 2HD LYS A 26 41.485 -0.491 34.663 1.00 -5.91 H ATOM 475 CE LYS A 26 41.744 -1.378 36.610 1.00 -5.91 C ATOM 476 1HE LYS A 26 40.720 -1.756 36.656 1.00 -5.91 H ATOM 477 2HE LYS A 26 42.403 -2.121 37.064 1.00 -5.91 H ATOM 478 NZ LYS A 26 41.850 -0.098 37.376 1.00 -5.91 N ATOM 479 1HZ LYS A 26 41.592 -0.258 38.340 1.00 -5.91 H ATOM 480 2HZ LYS A 26 41.235 0.594 36.971 1.00 -5.91 H ATOM 481 3HZ LYS A 26 42.803 0.238 37.339 1.00 -5.91 H TER 482 LYS A 26 END
SEQUENCE	RVKRVWPLVIRTVIAGYNLYRAIKKK
HELICITY	76.90	INSTAB. INDEX	8.01	FLEXIBILITY	7.73
a HYD. MOM.	56.86	b HYD. MOM.	28.02	c HYD. MOM	7.23
a MEAN HYD. MOM.	2.19	b MEAN HYD. MOM.	1.08	c MEAN HYD. MOM.	0.28
CHARGE pH5	8.00	CHARGE pH7	7.99	CHARGE pH9	7.52
Δ CHARGE pH5-pH9	0.48	ISOELECTRIC POINT	11.60	BOMAN INDEX	1.68
ΔG	11	CPP	0,25	MLP	-10,97
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Aves	ORDER	Galliformes
FAMILY	Phasianoidea	GENUS	Gallus	SPECIES	Gallus gallus
DATE	2005
TITLE PAPER	Identification and functional characterization of three chicken cathelicidins with potent antimicrobial activity