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ID	660	NAME	CHRG07   Blast NCBI-PROT
LENGTH	17	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\GIINTLQKYYSRVRGGR.pdb REMARK YASARA Written on: Wed May 14 11:42:22 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 289 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: BETA-DEFENSIN 3; COMPND 3 CHAIN: A; SEQRES 1 A 17 GLY ILE ILE ASN THR LEU GLN LYS TYR TYR SER ARG VAL SEQRES 2 A 17 ARG GLY GLY 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 GLY A 1 1.346 -25.873 27.337 1.00-27.43 N ATOM 2 1H GLY A 1 0.816 -25.459 26.584 1.00-27.43 H ATOM 3 2H GLY A 1 1.475 -25.194 28.075 1.00-27.43 H ATOM 4 3H GLY A 1 0.847 -26.670 27.707 1.00-27.43 H ATOM 5 CA GLY A 1 2.667 -26.310 26.837 1.00-27.43 C ATOM 6 1HA GLY A 1 2.531 -27.036 26.037 1.00-27.43 H ATOM 7 2HA GLY A 1 3.214 -25.447 26.460 1.00-27.43 H ATOM 8 C GLY A 1 3.454 -26.943 27.948 1.00-27.43 C ATOM 9 O GLY A 1 2.855 -27.173 28.988 1.00-27.43 O ATOM 10 N ILE A 2 4.742 -27.206 27.772 1.00-27.34 N ATOM 11 H ILE A 2 5.196 -27.007 26.893 1.00-27.34 H ATOM 12 CA ILE A 2 5.578 -27.697 28.867 1.00-27.34 C ATOM 13 HA ILE A 2 5.118 -28.564 29.343 1.00-27.34 H ATOM 14 C ILE A 2 5.627 -26.523 29.841 1.00-27.34 C ATOM 15 O ILE A 2 5.736 -25.378 29.405 1.00-27.34 O ATOM 16 CB ILE A 2 7.015 -28.060 28.374 1.00-27.34 C ATOM 17 HB ILE A 2 7.451 -27.173 27.912 1.00-27.34 H ATOM 18 CG1 ILE A 2 6.940 -29.176 27.310 1.00-27.34 C ATOM 19 1HG1 ILE A 2 6.607 -30.095 27.794 1.00-27.34 H ATOM 20 2HG1 ILE A 2 6.198 -28.907 26.561 1.00-27.34 H ATOM 21 CG2 ILE A 2 7.921 -28.496 29.557 1.00-27.34 C ATOM 22 1HG2 ILE A 2 8.927 -28.715 29.198 1.00-27.34 H ATOM 23 2HG2 ILE A 2 7.517 -29.386 30.044 1.00-27.34 H ATOM 24 3HG2 ILE A 2 8.011 -27.690 30.285 1.00-27.34 H ATOM 25 CD1 ILE A 2 8.252 -29.467 26.562 1.00-27.34 C ATOM 26 1HD1 ILE A 2 8.062 -30.191 25.769 1.00-27.34 H ATOM 27 2HD1 ILE A 2 8.995 -29.885 27.242 1.00-27.34 H ATOM 28 3HD1 ILE A 2 8.641 -28.550 26.117 1.00-27.34 H ATOM 29 N ILE A 3 5.533 -26.767 31.140 1.00-18.48 N ATOM 30 H ILE A 3 5.414 -27.711 31.474 1.00-18.48 H ATOM 31 CA ILE A 3 5.639 -25.682 32.113 1.00-18.48 C ATOM 32 HA ILE A 3 5.203 -24.786 31.673 1.00-18.48 H ATOM 33 C ILE A 3 7.142 -25.452 32.308 1.00-18.48 C ATOM 34 O ILE A 3 7.786 -26.030 33.181 1.00-18.48 O ATOM 35 CB ILE A 3 4.892 -25.979 33.451 1.00-18.48 C ATOM 36 HB ILE A 3 5.404 -26.790 33.970 1.00-18.48 H ATOM 37 CG1 ILE A 3 3.440 -26.426 33.170 1.00-18.48 C ATOM 38 1HG1 ILE A 3 2.899 -25.592 32.722 1.00-18.48 H ATOM 39 2HG1 ILE A 3 3.448 -27.244 32.452 1.00-18.48 H ATOM 40 CG2 ILE A 3 4.890 -24.715 34.349 1.00-18.48 C ATOM 41 1HG2 ILE A 3 4.463 -24.949 35.325 1.00-18.48 H ATOM 42 2HG2 ILE A 3 4.304 -23.918 33.887 1.00-18.48 H ATOM 43 3HG2 ILE A 3 5.905 -24.363 34.507 1.00-18.48 H ATOM 44 CD1 ILE A 3 2.651 -26.916 34.397 1.00-18.48 C ATOM 45 1HD1 ILE A 3 1.687 -27.310 34.071 1.00-18.48 H ATOM 46 2HD1 ILE A 3 2.474 -26.094 35.090 1.00-18.48 H ATOM 47 3HD1 ILE A 3 3.203 -27.708 34.904 1.00-18.48 H ATOM 48 N ASN A 4 7.731 -24.655 31.430 1.00 5.48 N ATOM 49 H ASN A 4 7.171 -24.228 30.696 1.00 5.48 H ATOM 50 CA ASN A 4 9.184 -24.480 31.418 1.00 5.48 C ATOM 51 HA ASN A 4 9.651 -25.463 31.393 1.00 5.48 H ATOM 52 C ASN A 4 9.684 -23.758 32.664 1.00 5.48 C ATOM 53 O ASN A 4 10.819 -23.942 33.090 1.00 5.48 O ATOM 54 CB ASN A 4 9.617 -23.698 30.175 1.00 5.48 C ATOM 55 1HB ASN A 4 9.125 -22.726 30.179 1.00 5.48 H ATOM 56 2HB ASN A 4 10.695 -23.547 30.206 1.00 5.48 H ATOM 57 CG ASN A 4 9.261 -24.397 28.888 1.00 5.48 C ATOM 58 OD1 ASN A 4 8.444 -23.908 28.134 1.00 5.48 O ATOM 59 ND2 ASN A 4 9.848 -25.530 28.627 1.00 5.48 N ATOM 60 1HD2 ASN A 4 9.659 -25.970 27.745 1.00 5.48 H ATOM 61 2HD2 ASN A 4 10.470 -25.966 29.302 1.00 5.48 H ATOM 62 N THR A 5 8.834 -22.957 33.288 1.00 17.88 N ATOM 63 H THR A 5 7.903 -22.813 32.927 1.00 17.88 H ATOM 64 CA THR A 5 9.205 -22.292 34.534 1.00 17.88 C ATOM 65 HA THR A 5 10.151 -21.767 34.405 1.00 17.88 H ATOM 66 C THR A 5 9.387 -23.315 35.648 1.00 17.88 C ATOM 67 O THR A 5 10.310 -23.196 36.441 1.00 17.88 O ATOM 68 CB THR A 5 8.118 -21.289 34.945 1.00 17.88 C ATOM 69 HB THR A 5 8.295 -20.947 35.963 1.00 17.88 H ATOM 70 OG1 THR A 5 6.845 -21.929 34.839 1.00 17.88 O ATOM 71 HG1 THR A 5 6.169 -21.295 35.102 1.00 17.88 H ATOM 72 CG2 THR A 5 8.081 -20.095 34.006 1.00 17.88 C ATOM 73 1HG2 THR A 5 7.335 -19.383 34.361 1.00 17.88 H ATOM 74 2HG2 THR A 5 7.817 -20.409 32.996 1.00 17.88 H ATOM 75 3HG2 THR A 5 9.053 -19.602 33.994 1.00 17.88 H ATOM 76 N LEU A 6 8.573 -24.363 35.660 1.00 35.18 N ATOM 77 H LEU A 6 7.853 -24.438 34.958 1.00 35.18 H ATOM 78 CA LEU A 6 8.681 -25.420 36.665 1.00 35.18 C ATOM 79 HA LEU A 6 8.682 -24.971 37.656 1.00 35.18 H ATOM 80 C LEU A 6 9.999 -26.154 36.475 1.00 35.18 C ATOM 81 O LEU A 6 10.685 -26.462 37.441 1.00 35.18 O ATOM 82 CB LEU A 6 7.472 -26.358 36.552 1.00 35.18 C ATOM 83 1HB LEU A 6 6.598 -25.710 36.558 1.00 35.18 H ATOM 84 2HB LEU A 6 7.506 -26.843 35.579 1.00 35.18 H ATOM 85 CG LEU A 6 7.199 -27.452 37.599 1.00 35.18 C ATOM 86 HG LEU A 6 7.319 -27.021 38.592 1.00 35.18 H ATOM 87 CD1 LEU A 6 5.743 -27.900 37.445 1.00 35.18 C ATOM 88 1HD1 LEU A 6 5.508 -28.653 38.199 1.00 35.18 H ATOM 89 2HD1 LEU A 6 5.576 -28.325 36.454 1.00 35.18 H ATOM 90 3HD1 LEU A 6 5.073 -27.052 37.592 1.00 35.18 H ATOM 91 CD2 LEU A 6 8.099 -28.685 37.483 1.00 35.18 C ATOM 92 1HD2 LEU A 6 7.780 -29.444 38.198 1.00 35.18 H ATOM 93 2HD2 LEU A 6 9.128 -28.419 37.718 1.00 35.18 H ATOM 94 3HD2 LEU A 6 8.051 -29.099 36.476 1.00 35.18 H ATOM 95 N GLN A 7 10.392 -26.375 35.229 1.00 2.55 N ATOM 96 H GLN A 7 9.798 -26.093 34.460 1.00 2.55 H ATOM 97 CA GLN A 7 11.681 -27.011 34.953 1.00 2.55 C ATOM 98 HA GLN A 7 11.722 -27.969 35.473 1.00 2.55 H ATOM 99 C GLN A 7 12.831 -26.145 35.463 1.00 2.55 C ATOM 100 O GLN A 7 13.798 -26.648 36.026 1.00 2.55 O ATOM 101 CB GLN A 7 11.873 -27.237 33.453 1.00 2.55 C ATOM 102 1HB GLN A 7 11.839 -26.273 32.951 1.00 2.55 H ATOM 103 2HB GLN A 7 12.865 -27.662 33.294 1.00 2.55 H ATOM 104 CG GLN A 7 10.853 -28.155 32.799 1.00 2.55 C ATOM 105 1HG GLN A 7 10.906 -29.138 33.266 1.00 2.55 H ATOM 106 2HG GLN A 7 9.852 -27.751 32.938 1.00 2.55 H ATOM 107 CD GLN A 7 11.115 -28.289 31.317 1.00 2.55 C ATOM 108 OE1 GLN A 7 11.107 -27.311 30.584 1.00 2.55 O ATOM 109 NE2 GLN A 7 11.363 -29.488 30.862 1.00 2.55 N ATOM 110 1HE2 GLN A 7 11.566 -29.594 29.883 1.00 2.55 H ATOM 111 2HE2 GLN A 7 11.362 -30.279 31.482 1.00 2.55 H ATOM 112 N LYS A 8 12.722 -24.832 35.309 1.00 -9.61 N ATOM 113 H LYS A 8 11.917 -24.448 34.823 1.00 -9.61 H ATOM 114 CA LYS A 8 13.752 -23.932 35.832 1.00 -9.61 C ATOM 115 HA LYS A 8 14.727 -24.294 35.501 1.00 -9.61 H ATOM 116 C LYS A 8 13.776 -23.938 37.353 1.00 -9.61 C ATOM 117 O LYS A 8 14.856 -23.931 37.934 1.00 -9.61 O ATOM 118 CB LYS A 8 13.566 -22.508 35.306 1.00 -9.61 C ATOM 119 1HB LYS A 8 12.547 -22.179 35.506 1.00 -9.61 H ATOM 120 2HB LYS A 8 14.254 -21.852 35.838 1.00 -9.61 H ATOM 121 CG LYS A 8 13.854 -22.397 33.815 1.00 -9.61 C ATOM 122 1HG LYS A 8 14.876 -22.731 33.631 1.00 -9.61 H ATOM 123 2HG LYS A 8 13.175 -23.041 33.262 1.00 -9.61 H ATOM 124 CD LYS A 8 13.703 -20.973 33.311 1.00 -9.61 C ATOM 125 1HD LYS A 8 12.689 -20.625 33.511 1.00 -9.61 H ATOM 126 2HD LYS A 8 14.416 -20.333 33.833 1.00 -9.61 H ATOM 127 CE LYS A 8 13.977 -20.922 31.810 1.00 -9.61 C ATOM 128 1HE LYS A 8 14.970 -21.338 31.620 1.00 -9.61 H ATOM 129 2HE LYS A 8 13.241 -21.544 31.295 1.00 -9.61 H ATOM 130 NZ LYS A 8 13.919 -19.520 31.267 1.00 -9.61 N ATOM 131 1HZ LYS A 8 14.108 -19.528 30.273 1.00 -9.61 H ATOM 132 2HZ LYS A 8 14.611 -18.945 31.729 1.00 -9.61 H ATOM 133 3HZ LYS A 8 13.002 -19.126 31.427 1.00 -9.61 H ATOM 134 N TYR A 9 12.629 -24.004 38.011 1.00 4.35 N ATOM 135 H TYR A 9 11.745 -23.974 37.510 1.00 4.35 H ATOM 136 CA TYR A 9 12.625 -24.096 39.470 1.00 4.35 C ATOM 137 HA TYR A 9 13.216 -23.274 39.873 1.00 4.35 H ATOM 138 C TYR A 9 13.274 -25.409 39.896 1.00 4.35 C ATOM 139 O TYR A 9 14.120 -25.433 40.782 1.00 4.35 O ATOM 140 CB TYR A 9 11.206 -24.023 40.048 1.00 4.35 C ATOM 141 1HB TYR A 9 10.667 -24.924 39.757 1.00 4.35 H ATOM 142 2HB TYR A 9 11.281 -24.013 41.135 1.00 4.35 H ATOM 143 CG TYR A 9 10.381 -22.826 39.608 1.00 4.35 C ATOM 144 CD1 TYR A 9 8.993 -22.967 39.399 1.00 4.35 C ATOM 145 HD1 TYR A 9 8.518 -23.918 39.591 1.00 4.35 H ATOM 146 CD2 TYR A 9 10.964 -21.554 39.392 1.00 4.35 C ATOM 147 HD2 TYR A 9 12.017 -21.396 39.576 1.00 4.35 H ATOM 148 CE1 TYR A 9 8.207 -21.878 38.938 1.00 4.35 C ATOM 149 HE1 TYR A 9 7.148 -22.006 38.775 1.00 4.35 H ATOM 150 CE2 TYR A 9 10.179 -20.466 38.923 1.00 4.35 C ATOM 151 HE2 TYR A 9 10.630 -19.500 38.751 1.00 4.35 H ATOM 152 CZ TYR A 9 8.813 -20.643 38.697 1.00 4.35 C ATOM 153 OH TYR A 9 8.060 -19.592 38.239 1.00 4.35 O ATOM 154 HH TYR A 9 7.123 -19.793 38.216 1.00 4.35 H ATOM 155 N TYR A 10 12.932 -26.498 39.223 1.00 11.56 N ATOM 156 H TYR A 10 12.230 -26.434 38.487 1.00 11.56 H ATOM 157 CA TYR A 10 13.505 -27.808 39.527 1.00 11.56 C ATOM 158 HA TYR A 10 13.315 -28.033 40.575 1.00 11.56 H ATOM 159 C TYR A 10 15.014 -27.849 39.309 1.00 11.56 C ATOM 160 O TYR A 10 15.737 -28.471 40.084 1.00 11.56 O ATOM 161 CB TYR A 10 12.833 -28.886 38.679 1.00 11.56 C ATOM 162 1HB TYR A 10 11.753 -28.785 38.776 1.00 11.56 H ATOM 163 2HB TYR A 10 13.104 -28.745 37.634 1.00 11.56 H ATOM 164 CG TYR A 10 13.232 -30.280 39.108 1.00 11.56 C ATOM 165 CD1 TYR A 10 12.709 -30.846 40.290 1.00 11.56 C ATOM 166 HD1 TYR A 10 12.002 -30.285 40.886 1.00 11.56 H ATOM 167 CD2 TYR A 10 14.153 -31.033 38.351 1.00 11.56 C ATOM 168 HD2 TYR A 10 14.576 -30.612 37.448 1.00 11.56 H ATOM 169 CE1 TYR A 10 13.097 -32.147 40.706 1.00 11.56 C ATOM 170 HE1 TYR A 10 12.681 -32.575 41.604 1.00 11.56 H ATOM 171 CE2 TYR A 10 14.536 -32.338 38.759 1.00 11.56 C ATOM 172 HE2 TYR A 10 15.235 -32.906 38.164 1.00 11.56 H ATOM 173 CZ TYR A 10 14.001 -32.879 39.931 1.00 11.56 C ATOM 174 OH TYR A 10 14.367 -34.140 40.333 1.00 11.56 O ATOM 175 HH TYR A 10 14.851 -34.610 39.647 1.00 11.56 H ATOM 176 N SER A 11 15.513 -27.121 38.320 1.00 7.02 N ATOM 177 H SER A 11 14.883 -26.637 37.686 1.00 7.02 H ATOM 178 CA SER A 11 16.956 -27.032 38.095 1.00 7.02 C ATOM 179 HA SER A 11 17.349 -28.048 38.045 1.00 7.02 H ATOM 180 C SER A 11 17.693 -26.309 39.219 1.00 7.02 C ATOM 181 O SER A 11 18.913 -26.380 39.311 1.00 7.02 O ATOM 182 CB SER A 11 17.272 -26.344 36.765 1.00 7.02 C ATOM 183 1HB SER A 11 18.316 -26.538 36.515 1.00 7.02 H ATOM 184 2HB SER A 11 16.642 -26.768 35.982 1.00 7.02 H ATOM 185 OG SER A 11 17.087 -24.938 36.826 1.00 7.02 O ATOM 186 HG SER A 11 16.234 -24.734 37.242 1.00 7.02 H ATOM 187 N ARG A 12 16.969 -25.596 40.076 1.00 11.18 N ATOM 188 H ARG A 12 15.967 -25.505 39.928 1.00 11.18 H ATOM 189 CA ARG A 12 17.552 -24.965 41.265 1.00 11.18 C ATOM 190 HA ARG A 12 18.636 -24.980 41.184 1.00 11.18 H ATOM 191 C ARG A 12 17.237 -25.745 42.535 1.00 11.18 C ATOM 192 O ARG A 12 17.833 -25.493 43.570 1.00 11.18 O ATOM 193 CB ARG A 12 17.100 -23.501 41.376 1.00 11.18 C ATOM 194 1HB ARG A 12 16.014 -23.490 41.471 1.00 11.18 H ATOM 195 2HB ARG A 12 17.518 -23.079 42.291 1.00 11.18 H ATOM 196 CG ARG A 12 17.488 -22.576 40.196 1.00 11.18 C ATOM 197 1HG ARG A 12 17.080 -22.980 39.270 1.00 11.18 H ATOM 198 2HG ARG A 12 17.023 -21.605 40.369 1.00 11.18 H ATOM 199 CD ARG A 12 19.004 -22.347 40.017 1.00 11.18 C ATOM 200 1HD ARG A 12 19.153 -21.478 39.375 1.00 11.18 H ATOM 201 2HD ARG A 12 19.450 -22.146 40.992 1.00 11.18 H ATOM 202 NE ARG A 12 19.668 -23.506 39.407 1.00 11.18 N ATOM 203 HE ARG A 12 19.071 -24.273 39.127 1.00 11.18 H ATOM 204 CZ ARG A 12 20.967 -23.705 39.245 1.00 11.18 C ATOM 205 NH1 ARG A 12 21.334 -24.876 38.833 1.00 11.18 N ATOM 206 1HH1 ARG A 12 20.646 -25.608 38.728 1.00 11.18 H ATOM 207 2HH1 ARG A 12 22.321 -25.072 38.650 1.00 11.18 H ATOM 208 NH2 ARG A 12 21.893 -22.820 39.494 1.00 11.18 N ATOM 209 1HH2 ARG A 12 21.652 -21.902 39.799 1.00 11.18 H ATOM 210 2HH2 ARG A 12 22.874 -23.102 39.385 1.00 11.18 H ATOM 211 N VAL A 13 16.367 -26.739 42.438 1.00 0.27 N ATOM 212 H VAL A 13 15.823 -26.845 41.595 1.00 0.27 H ATOM 213 CA VAL A 13 16.231 -27.743 43.497 1.00 0.27 C ATOM 214 HA VAL A 13 16.278 -27.251 44.469 1.00 0.27 H ATOM 215 C VAL A 13 17.441 -28.670 43.365 1.00 0.27 C ATOM 216 O VAL A 13 18.016 -29.096 44.367 1.00 0.27 O ATOM 217 CB VAL A 13 14.891 -28.542 43.395 1.00 0.27 C ATOM 218 HB VAL A 13 14.842 -29.029 42.424 1.00 0.27 H ATOM 219 CG1 VAL A 13 14.787 -29.625 44.478 1.00 0.27 C ATOM 220 1HG1 VAL A 13 13.838 -30.152 44.382 1.00 0.27 H ATOM 221 2HG1 VAL A 13 14.851 -29.168 45.468 1.00 0.27 H ATOM 222 3HG1 VAL A 13 15.602 -30.336 44.364 1.00 0.27 H ATOM 223 CG2 VAL A 13 13.686 -27.601 43.532 1.00 0.27 C ATOM 224 1HG2 VAL A 13 12.758 -28.166 43.445 1.00 0.27 H ATOM 225 2HG2 VAL A 13 13.702 -26.850 42.747 1.00 0.27 H ATOM 226 3HG2 VAL A 13 13.711 -27.094 44.499 1.00 0.27 H ATOM 227 N ARG A 14 17.857 -28.963 42.136 1.00 9.38 N ATOM 228 H ARG A 14 17.302 -28.676 41.330 1.00 9.38 H ATOM 229 CA ARG A 14 19.126 -29.659 41.887 1.00 9.38 C ATOM 230 HA ARG A 14 19.858 -29.284 42.603 1.00 9.38 H ATOM 231 C ARG A 14 19.671 -29.398 40.487 1.00 9.38 C ATOM 232 O ARG A 14 18.919 -29.353 39.521 1.00 9.38 O ATOM 233 CB ARG A 14 18.961 -31.170 42.108 1.00 9.38 C ATOM 234 1HB ARG A 14 19.927 -31.652 41.958 1.00 9.38 H ATOM 235 2HB ARG A 14 18.674 -31.317 43.145 1.00 9.38 H ATOM 236 CG ARG A 14 17.923 -31.867 41.225 1.00 9.38 C ATOM 237 1HG ARG A 14 16.992 -31.300 41.217 1.00 9.38 H ATOM 238 2HG ARG A 14 18.307 -31.929 40.207 1.00 9.38 H ATOM 239 CD ARG A 14 17.637 -33.272 41.737 1.00 9.38 C ATOM 240 1HD ARG A 14 17.627 -33.950 40.883 1.00 9.38 H ATOM 241 2HD ARG A 14 18.434 -33.585 42.412 1.00 9.38 H ATOM 242 NE ARG A 14 16.332 -33.361 42.414 1.00 9.38 N ATOM 243 HE ARG A 14 15.549 -33.606 41.823 1.00 9.38 H ATOM 244 CZ ARG A 14 16.077 -33.166 43.701 1.00 9.38 C ATOM 245 NH1 ARG A 14 14.857 -33.355 44.119 1.00 9.38 N ATOM 246 1HH1 ARG A 14 14.146 -33.658 43.475 1.00 9.38 H ATOM 247 2HH1 ARG A 14 14.627 -33.203 45.085 1.00 9.38 H ATOM 248 NH2 ARG A 14 16.969 -32.798 44.585 1.00 9.38 N ATOM 249 1HH2 ARG A 14 17.912 -32.606 44.290 1.00 9.38 H ATOM 250 2HH2 ARG A 14 16.716 -32.678 45.550 1.00 9.38 H ATOM 251 N GLY A 15 20.986 -29.288 40.389 1.00 24.71 N ATOM 252 H GLY A 15 21.575 -29.346 41.212 1.00 24.71 H ATOM 253 CA GLY A 15 21.675 -29.098 39.125 1.00 24.71 C ATOM 254 1HA GLY A 15 21.317 -29.807 38.379 1.00 24.71 H ATOM 255 2HA GLY A 15 21.567 -28.071 38.774 1.00 24.71 H ATOM 256 C GLY A 15 23.115 -29.386 39.492 1.00 24.71 C ATOM 257 O GLY A 15 23.362 -29.585 40.680 1.00 24.71 O ATOM 258 N GLY A 16 24.041 -29.430 38.542 1.00 22.04 N ATOM 259 H GLY A 16 23.783 -29.268 37.582 1.00 22.04 H ATOM 260 CA GLY A 16 25.437 -29.693 38.876 1.00 22.04 C ATOM 261 1HA GLY A 16 25.488 -30.408 39.698 1.00 22.04 H ATOM 262 2HA GLY A 16 25.944 -30.116 38.010 1.00 22.04 H ATOM 263 C GLY A 16 26.163 -28.427 39.291 1.00 22.04 C ATOM 264 O GLY A 16 27.174 -28.456 39.991 1.00 22.04 O ATOM 265 N ARG A 17 25.611 -27.313 38.832 1.00-22.74 N ATOM 266 H ARG A 17 24.777 -27.377 38.258 1.00-22.74 H ATOM 267 CA ARG A 17 26.000 -25.940 39.153 1.00-22.74 C ATOM 268 HA ARG A 17 26.273 -25.834 40.202 1.00-22.74 H ATOM 269 C ARG A 17 24.676 -25.254 38.877 1.00-22.74 C ATOM 270 O ARG A 17 23.858 -25.967 38.247 1.00-22.74 O ATOM 271 OXT ARG A 17 24.438 -24.089 39.238 1.00-22.74 O ATOM 272 CB ARG A 17 27.077 -25.369 38.222 1.00-22.74 C ATOM 273 1HB ARG A 17 26.773 -25.524 37.187 1.00-22.74 H ATOM 274 2HB ARG A 17 27.137 -24.295 38.403 1.00-22.74 H ATOM 275 CG ARG A 17 28.458 -25.961 38.430 1.00-22.74 C ATOM 276 1HG ARG A 17 28.704 -25.910 39.490 1.00-22.74 H ATOM 277 2HG ARG A 17 28.455 -27.005 38.116 1.00-22.74 H ATOM 278 CD ARG A 17 29.518 -25.209 37.643 1.00-22.74 C ATOM 279 1HD ARG A 17 29.255 -25.235 36.584 1.00-22.74 H ATOM 280 2HD ARG A 17 29.541 -24.170 37.972 1.00-22.74 H ATOM 281 NE ARG A 17 30.847 -25.814 37.825 1.00-22.74 N ATOM 282 HE ARG A 17 31.135 -26.465 37.115 1.00-22.74 H ATOM 283 CZ ARG A 17 31.686 -25.587 38.828 1.00-22.74 C ATOM 284 NH1 ARG A 17 32.835 -26.203 38.831 1.00-22.74 N ATOM 285 1HH1 ARG A 17 33.070 -26.840 38.089 1.00-22.74 H ATOM 286 2HH1 ARG A 17 33.486 -26.050 39.581 1.00-22.74 H ATOM 287 NH2 ARG A 17 31.432 -24.780 39.826 1.00-22.74 N ATOM 288 1HH2 ARG A 17 30.543 -24.307 39.863 1.00-22.74 H ATOM 289 2HH2 ARG A 17 32.107 -24.640 40.556 1.00-22.74 H TER 290 ARG A 17 END
SEQUENCE	GIINTLQKYYSRVRGGR
HELICITY	35.30	INSTAB. INDEX	39.45	FLEXIBILITY	13.59
a HYD. MOM.	46.63	b HYD. MOM.	18.57	c HYD. MOM	3.09
a MEAN HYD. MOM.	2.74	b MEAN HYD. MOM.	1.09	c MEAN HYD. MOM.	0.18
CHARGE pH5	4.00	CHARGE pH7	4.00	CHARGE pH9	3.62
Δ CHARGE pH5-pH9	0.39	ISOELECTRIC POINT	11.00	BOMAN INDEX	2.77
ΔG	9	CPP	-0,04	MLP	-7,33
MOLECULAR VOLUME		POLARITY
MIC E. coli	10	MIC P. aeruginosa	1	MIC S. typhimurium
MIC S. aureus	8	MIC M. luteus		MIC B. subtilis
MIC C. albicans	8	OTHER
MIC OTHER gram+	E.faecium = 1.5
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	2003
TITLE PAPER	Antimicrobial Characterization of Human -Defensin 3 Derivatives