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ID	1762	NAME	Ac-AMP2   Blast NCBI-PROT
LENGTH	29	DISULFIDE BRIDGE	3		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\VGECVRGRCPSGMCCSQFGYCGKGPKYCG.pdb REMARK YASARA Written on: Wed May 14 13:56:31 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 397 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: AMARANTHUS CAUDATUS ANTIMICROBIAL PEPTIDE 2; COMPND 3 CHAIN: A; SEQRES 1 A 29 VAL GLY GLU CYS VAL ARG GLY ARG CYS PRO SER GLY MET SEQRES 2 A 29 CYS CYS SER GLN PHE GLY TYR CYS GLY LYS GLY PRO LYS SEQRES 3 A 29 TYR CYS GLY 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 SSBOND 1 CYS A 4 CYS A 15 2.02 SSBOND 3 CYS A 9 CYS A 21 2.03 SSBOND 5 CYS A 14 CYS A 28 2.03 ATOM 1 N VAL A 1 -20.758 -27.357 -6.398 1.00-43.70 N ATOM 2 1H VAL A 1 -21.241 -27.023 -7.224 1.00-43.70 H ATOM 3 2H VAL A 1 -19.939 -26.790 -6.246 1.00-43.70 H ATOM 4 3H VAL A 1 -21.381 -27.297 -5.604 1.00-43.70 H ATOM 5 CA VAL A 1 -20.359 -28.772 -6.612 1.00-43.70 C ATOM 6 HA VAL A 1 -19.819 -28.845 -7.555 1.00-43.70 H ATOM 7 C VAL A 1 -21.608 -29.634 -6.685 1.00-43.70 C ATOM 8 O VAL A 1 -22.521 -29.388 -5.906 1.00-43.70 O ATOM 9 CB VAL A 1 -19.440 -29.236 -5.443 1.00-43.70 C ATOM 10 HB VAL A 1 -19.995 -29.150 -4.510 1.00-43.70 H ATOM 11 CG1 VAL A 1 -18.984 -30.701 -5.610 1.00-43.70 C ATOM 12 1HG1 VAL A 1 -18.306 -30.973 -4.795 1.00-43.70 H ATOM 13 2HG1 VAL A 1 -18.466 -30.833 -6.562 1.00-43.70 H ATOM 14 3HG1 VAL A 1 -19.842 -31.374 -5.562 1.00-43.70 H ATOM 15 CG2 VAL A 1 -18.188 -28.332 -5.335 1.00-43.70 C ATOM 16 1HG2 VAL A 1 -17.526 -28.714 -4.553 1.00-43.70 H ATOM 17 2HG2 VAL A 1 -18.465 -27.311 -5.064 1.00-43.70 H ATOM 18 3HG2 VAL A 1 -17.640 -28.325 -6.281 1.00-43.70 H ATOM 19 N GLY A 2 -21.679 -30.600 -7.595 1.00 -3.11 N ATOM 20 H GLY A 2 -20.915 -30.747 -8.239 1.00 -3.11 H ATOM 21 CA GLY A 2 -22.860 -31.447 -7.718 1.00 -3.11 C ATOM 22 1HA GLY A 2 -22.550 -32.443 -8.027 1.00 -3.11 H ATOM 23 2HA GLY A 2 -23.372 -31.518 -6.758 1.00 -3.11 H ATOM 24 C GLY A 2 -23.829 -30.915 -8.754 1.00 -3.11 C ATOM 25 O GLY A 2 -25.027 -31.165 -8.703 1.00 -3.11 O ATOM 26 N GLU A 3 -23.290 -30.152 -9.691 1.00 -6.73 N ATOM 27 H GLU A 3 -22.295 -29.954 -9.674 1.00 -6.73 H ATOM 28 CA GLU A 3 -24.044 -29.582 -10.803 1.00 -6.73 C ATOM 29 HA GLU A 3 -24.908 -29.032 -10.426 1.00 -6.73 H ATOM 30 C GLU A 3 -24.500 -30.717 -11.720 1.00 -6.73 C ATOM 31 O GLU A 3 -23.759 -31.670 -11.954 1.00 -6.73 O ATOM 32 CB GLU A 3 -23.131 -28.647 -11.613 1.00 -6.73 C ATOM 33 1HB GLU A 3 -22.265 -29.214 -11.948 1.00 -6.73 H ATOM 34 2HB GLU A 3 -23.681 -28.327 -12.495 1.00 -6.73 H ATOM 35 CG GLU A 3 -22.647 -27.385 -10.882 1.00 -6.73 C ATOM 36 1HG GLU A 3 -22.269 -26.687 -11.627 1.00 -6.73 H ATOM 37 2HG GLU A 3 -23.503 -26.923 -10.392 1.00 -6.73 H ATOM 38 CD GLU A 3 -21.544 -27.612 -9.838 1.00 -6.73 C ATOM 39 OE1 GLU A 3 -21.341 -26.704 -9.007 1.00 -6.73 O ATOM 40 OE2 GLU A 3 -20.902 -28.691 -9.768 1.00 -6.73 O ATOM 41 N CYS A 4 -25.701 -30.619 -12.266 1.00 3.08 N ATOM 42 H CYS A 4 -26.287 -29.810 -12.060 1.00 3.08 H ATOM 43 CA CYS A 4 -26.186 -31.656 -13.169 1.00 3.08 C ATOM 44 HA CYS A 4 -26.027 -32.623 -12.698 1.00 3.08 H ATOM 45 C CYS A 4 -25.467 -31.628 -14.513 1.00 3.08 C ATOM 46 O CYS A 4 -25.518 -30.638 -15.248 1.00 3.08 O ATOM 47 CB CYS A 4 -27.674 -31.478 -13.444 1.00 3.08 C ATOM 48 1HB CYS A 4 -27.810 -30.553 -14.004 1.00 3.08 H ATOM 49 2HB CYS A 4 -28.006 -32.310 -14.058 1.00 3.08 H ATOM 50 SG CYS A 4 -28.725 -31.397 -11.968 1.00 3.08 S ATOM 51 N VAL A 5 -24.898 -32.754 -14.907 1.00 -6.14 N ATOM 52 H VAL A 5 -24.927 -33.568 -14.299 1.00 -6.14 H ATOM 53 CA VAL A 5 -24.289 -32.899 -16.224 1.00 -6.14 C ATOM 54 HA VAL A 5 -23.747 -31.984 -16.461 1.00 -6.14 H ATOM 55 C VAL A 5 -25.434 -33.081 -17.220 1.00 -6.14 C ATOM 56 O VAL A 5 -25.958 -34.180 -17.407 1.00 -6.14 O ATOM 57 CB VAL A 5 -23.297 -34.096 -16.271 1.00 -6.14 C ATOM 58 HB VAL A 5 -23.847 -35.019 -16.095 1.00 -6.14 H ATOM 59 CG1 VAL A 5 -22.602 -34.188 -17.643 1.00 -6.14 C ATOM 60 1HG1 VAL A 5 -21.901 -35.025 -17.637 1.00 -6.14 H ATOM 61 2HG1 VAL A 5 -22.056 -33.265 -17.850 1.00 -6.14 H ATOM 62 3HG1 VAL A 5 -23.348 -34.364 -18.420 1.00 -6.14 H ATOM 63 CG2 VAL A 5 -22.238 -33.958 -15.162 1.00 -6.14 C ATOM 64 1HG2 VAL A 5 -21.523 -34.778 -15.224 1.00 -6.14 H ATOM 65 2HG2 VAL A 5 -22.709 -34.000 -14.177 1.00 -6.14 H ATOM 66 3HG2 VAL A 5 -21.709 -33.008 -15.257 1.00 -6.14 H ATOM 67 N ARG A 6 -25.879 -31.966 -17.789 1.00 1.08 N ATOM 68 H ARG A 6 -25.458 -31.091 -17.486 1.00 1.08 H ATOM 69 CA ARG A 6 -26.988 -31.920 -18.760 1.00 1.08 C ATOM 70 HA ARG A 6 -27.222 -30.873 -18.951 1.00 1.08 H ATOM 71 C ARG A 6 -28.257 -32.567 -18.198 1.00 1.08 C ATOM 72 O ARG A 6 -28.966 -33.296 -18.882 1.00 1.08 O ATOM 73 CB ARG A 6 -26.592 -32.557 -20.100 1.00 1.08 C ATOM 74 1HB ARG A 6 -26.421 -33.621 -19.941 1.00 1.08 H ATOM 75 2HB ARG A 6 -27.427 -32.446 -20.794 1.00 1.08 H ATOM 76 CG ARG A 6 -25.350 -31.934 -20.740 1.00 1.08 C ATOM 77 1HG ARG A 6 -25.518 -30.864 -20.869 1.00 1.08 H ATOM 78 2HG ARG A 6 -24.488 -32.081 -20.090 1.00 1.08 H ATOM 79 CD ARG A 6 -25.059 -32.552 -22.102 1.00 1.08 C ATOM 80 1HD ARG A 6 -25.930 -32.409 -22.741 1.00 1.08 H ATOM 81 2HD ARG A 6 -24.213 -32.036 -22.554 1.00 1.08 H ATOM 82 NE ARG A 6 -24.770 -33.992 -22.007 1.00 1.08 N ATOM 83 HE ARG A 6 -25.551 -34.608 -22.158 1.00 1.08 H ATOM 84 CZ ARG A 6 -23.595 -34.553 -21.749 1.00 1.08 C ATOM 85 NH1 ARG A 6 -23.533 -35.851 -21.666 1.00 1.08 N ATOM 86 1HH1 ARG A 6 -24.357 -36.412 -21.814 1.00 1.08 H ATOM 87 2HH1 ARG A 6 -22.657 -36.301 -21.459 1.00 1.08 H ATOM 88 NH2 ARG A 6 -22.488 -33.877 -21.563 1.00 1.08 N ATOM 89 1HH2 ARG A 6 -22.513 -32.871 -21.622 1.00 1.08 H ATOM 90 2HH2 ARG A 6 -21.626 -34.357 -21.362 1.00 1.08 H ATOM 91 N GLY A 7 -28.513 -32.316 -16.923 1.00 -4.85 N ATOM 92 H GLY A 7 -27.880 -31.730 -16.397 1.00 -4.85 H ATOM 93 CA GLY A 7 -29.705 -32.848 -16.279 1.00 -4.85 C ATOM 94 1HA GLY A 7 -29.969 -32.192 -15.449 1.00 -4.85 H ATOM 95 2HA GLY A 7 -30.527 -32.830 -16.993 1.00 -4.85 H ATOM 96 C GLY A 7 -29.597 -34.262 -15.737 1.00 -4.85 C ATOM 97 O GLY A 7 -30.610 -34.833 -15.337 1.00 -4.85 O ATOM 98 N ARG A 8 -28.408 -34.851 -15.721 1.00-10.91 N ATOM 99 H ARG A 8 -27.590 -34.363 -16.080 1.00-10.91 H ATOM 100 CA ARG A 8 -28.191 -36.203 -15.191 1.00-10.91 C ATOM 101 HA ARG A 8 -29.049 -36.528 -14.604 1.00-10.91 H ATOM 102 C ARG A 8 -26.973 -36.145 -14.292 1.00-10.91 C ATOM 103 O ARG A 8 -26.210 -35.195 -14.393 1.00-10.91 O ATOM 104 CB ARG A 8 -27.921 -37.190 -16.336 1.00-10.91 C ATOM 105 1HB ARG A 8 -27.012 -36.869 -16.847 1.00-10.91 H ATOM 106 2HB ARG A 8 -27.739 -38.177 -15.912 1.00-10.91 H ATOM 107 CG ARG A 8 -29.030 -37.312 -17.381 1.00-10.91 C ATOM 108 1HG ARG A 8 -29.239 -36.328 -17.803 1.00-10.91 H ATOM 109 2HG ARG A 8 -28.679 -37.957 -18.185 1.00-10.91 H ATOM 110 CD ARG A 8 -30.321 -37.899 -16.813 1.00-10.91 C ATOM 111 1HD ARG A 8 -30.120 -38.907 -16.446 1.00-10.91 H ATOM 112 2HD ARG A 8 -30.665 -37.289 -15.975 1.00-10.91 H ATOM 113 NE ARG A 8 -31.378 -37.952 -17.836 1.00-10.91 N ATOM 114 HE ARG A 8 -31.407 -38.785 -18.397 1.00-10.91 H ATOM 115 CZ ARG A 8 -32.285 -37.012 -18.083 1.00-10.91 C ATOM 116 NH1 ARG A 8 -33.136 -37.208 -19.051 1.00-10.91 N ATOM 117 1HH1 ARG A 8 -33.100 -38.054 -19.598 1.00-10.91 H ATOM 118 2HH1 ARG A 8 -33.837 -36.515 -19.254 1.00-10.91 H ATOM 119 NH2 ARG A 8 -32.380 -35.890 -17.417 1.00-10.91 N ATOM 120 1HH2 ARG A 8 -31.732 -35.693 -16.658 1.00-10.91 H ATOM 121 2HH2 ARG A 8 -33.092 -35.219 -17.643 1.00-10.91 H ATOM 122 N CYS A 9 -26.756 -37.150 -13.460 1.00 29.46 N ATOM 123 H CYS A 9 -27.423 -37.905 -13.373 1.00 29.46 H ATOM 124 CA CYS A 9 -25.544 -37.254 -12.657 1.00 29.46 C ATOM 125 HA CYS A 9 -24.707 -36.757 -13.150 1.00 29.46 H ATOM 126 C CYS A 9 -25.244 -38.745 -12.517 1.00 29.46 C ATOM 127 O CYS A 9 -26.134 -39.567 -12.786 1.00 29.46 O ATOM 128 CB CYS A 9 -25.780 -36.620 -11.288 1.00 29.46 C ATOM 129 1HB CYS A 9 -26.845 -36.670 -11.060 1.00 29.46 H ATOM 130 2HB CYS A 9 -25.244 -37.198 -10.535 1.00 29.46 H ATOM 131 SG CYS A 9 -25.217 -34.896 -11.168 1.00 29.46 S ATOM 132 N PRO A 10 -24.018 -39.120 -12.100 1.00 -3.47 N ATOM 133 CA PRO A 10 -23.755 -40.556 -11.955 1.00 -3.47 C ATOM 134 HA PRO A 10 -23.969 -41.080 -12.885 1.00 -3.47 H ATOM 135 C PRO A 10 -24.558 -41.192 -10.820 1.00 -3.47 C ATOM 136 O PRO A 10 -25.220 -40.505 -10.038 1.00 -3.47 O ATOM 137 CB PRO A 10 -22.249 -40.596 -11.668 1.00 -3.47 C ATOM 138 1HB PRO A 10 -21.987 -41.448 -11.044 1.00 -3.47 H ATOM 139 2HB PRO A 10 -21.684 -40.619 -12.601 1.00 -3.47 H ATOM 140 CG PRO A 10 -21.991 -39.327 -10.961 1.00 -3.47 C ATOM 141 1HG PRO A 10 -22.330 -39.392 -9.926 1.00 -3.47 H ATOM 142 2HG PRO A 10 -20.935 -39.064 -11.003 1.00 -3.47 H ATOM 143 CD PRO A 10 -22.821 -38.335 -11.731 1.00 -3.47 C ATOM 144 1HD PRO A 10 -23.079 -37.489 -11.092 1.00 -3.47 H ATOM 145 2HD PRO A 10 -22.293 -38.002 -12.625 1.00 -3.47 H ATOM 146 N SER A 11 -24.516 -42.518 -10.764 1.00 22.84 N ATOM 147 H SER A 11 -23.959 -43.010 -11.443 1.00 22.84 H ATOM 148 CA SER A 11 -25.196 -43.324 -9.742 1.00 22.84 C ATOM 149 HA SER A 11 -25.049 -44.371 -10.003 1.00 22.84 H ATOM 150 C SER A 11 -26.706 -43.095 -9.638 1.00 22.84 C ATOM 151 O SER A 11 -27.328 -43.349 -8.605 1.00 22.84 O ATOM 152 CB SER A 11 -24.523 -43.096 -8.387 1.00 22.84 C ATOM 153 1HB SER A 11 -24.725 -42.080 -8.046 1.00 22.84 H ATOM 154 2HB SER A 11 -24.918 -43.801 -7.656 1.00 22.84 H ATOM 155 OG SER A 11 -23.122 -43.273 -8.531 1.00 22.84 O ATOM 156 HG SER A 11 -22.702 -43.104 -7.682 1.00 22.84 H ATOM 157 N GLY A 12 -27.306 -42.601 -10.714 1.00-15.47 N ATOM 158 H GLY A 12 -26.762 -42.374 -11.532 1.00-15.47 H ATOM 159 CA GLY A 12 -28.737 -42.351 -10.737 1.00-15.47 C ATOM 160 1HA GLY A 12 -29.030 -42.111 -11.758 1.00-15.47 H ATOM 161 2HA GLY A 12 -29.265 -43.249 -10.421 1.00-15.47 H ATOM 162 C GLY A 12 -29.151 -41.203 -9.839 1.00-15.47 C ATOM 163 O GLY A 12 -30.241 -41.214 -9.269 1.00-15.47 O ATOM 164 N MET A 13 -28.278 -40.227 -9.645 1.00 0.78 N ATOM 165 H MET A 13 -27.350 -40.270 -10.061 1.00 0.78 H ATOM 166 CA MET A 13 -28.674 -39.019 -8.931 1.00 0.78 C ATOM 167 HA MET A 13 -29.319 -39.264 -8.089 1.00 0.78 H ATOM 168 C MET A 13 -29.478 -38.216 -9.954 1.00 0.78 C ATOM 169 O MET A 13 -29.064 -38.063 -11.106 1.00 0.78 O ATOM 170 CB MET A 13 -27.444 -38.262 -8.435 1.00 0.78 C ATOM 171 1HB MET A 13 -26.762 -38.147 -9.269 1.00 0.78 H ATOM 172 2HB MET A 13 -27.744 -37.277 -8.081 1.00 0.78 H ATOM 173 CG MET A 13 -26.708 -38.988 -7.319 1.00 0.78 C ATOM 174 1HG MET A 13 -27.336 -39.009 -6.428 1.00 0.78 H ATOM 175 2HG MET A 13 -26.522 -40.012 -7.639 1.00 0.78 H ATOM 176 SD MET A 13 -25.114 -38.238 -6.919 1.00 0.78 S ATOM 177 CE MET A 13 -25.528 -36.664 -6.138 1.00 0.78 C ATOM 178 1HE MET A 13 -24.609 -36.137 -5.876 1.00 0.78 H ATOM 179 2HE MET A 13 -26.107 -36.840 -5.233 1.00 0.78 H ATOM 180 3HE MET A 13 -26.103 -36.042 -6.824 1.00 0.78 H ATOM 181 N CYS A 14 -30.653 -37.771 -9.546 1.00 18.19 N ATOM 182 H CYS A 14 -30.909 -37.862 -8.568 1.00 18.19 H ATOM 183 CA CYS A 14 -31.601 -37.101 -10.426 1.00 18.19 C ATOM 184 HA CYS A 14 -31.458 -37.430 -11.456 1.00 18.19 H ATOM 185 C CYS A 14 -31.347 -35.601 -10.297 1.00 18.19 C ATOM 186 O CYS A 14 -30.671 -35.194 -9.358 1.00 18.19 O ATOM 187 CB CYS A 14 -33.019 -37.424 -9.969 1.00 18.19 C ATOM 188 1HB CYS A 14 -33.196 -36.897 -9.033 1.00 18.19 H ATOM 189 2HB CYS A 14 -33.722 -37.041 -10.708 1.00 18.19 H ATOM 190 SG CYS A 14 -33.386 -39.180 -9.668 1.00 18.19 S ATOM 191 N CYS A 15 -31.869 -34.775 -11.191 1.00 4.43 N ATOM 192 H CYS A 15 -32.521 -35.119 -11.876 1.00 4.43 H ATOM 193 CA CYS A 15 -31.548 -33.348 -11.203 1.00 4.43 C ATOM 194 HA CYS A 15 -30.664 -33.170 -10.594 1.00 4.43 H ATOM 195 C CYS A 15 -32.681 -32.469 -10.680 1.00 4.43 C ATOM 196 O CYS A 15 -33.805 -32.564 -11.157 1.00 4.43 O ATOM 197 CB CYS A 15 -31.229 -32.925 -12.635 1.00 4.43 C ATOM 198 1HB CYS A 15 -30.488 -33.607 -13.049 1.00 4.43 H ATOM 199 2HB CYS A 15 -32.139 -32.995 -13.229 1.00 4.43 H ATOM 200 SG CYS A 15 -30.587 -31.227 -12.746 1.00 4.43 S ATOM 201 N SER A 16 -32.383 -31.587 -9.736 1.00 0.73 N ATOM 202 H SER A 16 -31.429 -31.507 -9.399 1.00 0.73 H ATOM 203 CA SER A 16 -33.391 -30.651 -9.246 1.00 0.73 C ATOM 204 HA SER A 16 -34.351 -31.165 -9.166 1.00 0.73 H ATOM 205 C SER A 16 -33.524 -29.499 -10.226 1.00 0.73 C ATOM 206 O SER A 16 -32.670 -29.263 -11.076 1.00 0.73 O ATOM 207 CB SER A 16 -33.026 -30.068 -7.879 1.00 0.73 C ATOM 208 1HB SER A 16 -33.847 -29.442 -7.530 1.00 0.73 H ATOM 209 2HB SER A 16 -32.886 -30.875 -7.167 1.00 0.73 H ATOM 210 OG SER A 16 -31.847 -29.280 -7.955 1.00 0.73 O ATOM 211 HG SER A 16 -31.093 -29.877 -8.124 1.00 0.73 H ATOM 212 N GLN A 17 -34.555 -28.697 -10.015 1.00 7.77 N ATOM 213 H GLN A 17 -35.180 -28.897 -9.245 1.00 7.77 H ATOM 214 CA GLN A 17 -34.846 -27.537 -10.857 1.00 7.77 C ATOM 215 HA GLN A 17 -34.837 -27.844 -11.904 1.00 7.77 H ATOM 216 C GLN A 17 -33.800 -26.439 -10.657 1.00 7.77 C ATOM 217 O GLN A 17 -33.734 -25.475 -11.403 1.00 7.77 O ATOM 218 CB GLN A 17 -36.230 -26.968 -10.500 1.00 7.77 C ATOM 219 1HB GLN A 17 -36.161 -26.500 -9.518 1.00 7.77 H ATOM 220 2HB GLN A 17 -36.471 -26.185 -11.215 1.00 7.77 H ATOM 221 CG GLN A 17 -37.397 -27.978 -10.472 1.00 7.77 C ATOM 222 1HG GLN A 17 -38.337 -27.424 -10.455 1.00 7.77 H ATOM 223 2HG GLN A 17 -37.368 -28.581 -11.379 1.00 7.77 H ATOM 224 CD GLN A 17 -37.362 -28.899 -9.261 1.00 7.77 C ATOM 225 OE1 GLN A 17 -36.942 -28.499 -8.176 1.00 7.77 O ATOM 226 NE2 GLN A 17 -37.674 -30.148 -9.458 1.00 7.77 N ATOM 227 1HE2 GLN A 17 -37.551 -30.806 -8.697 1.00 7.77 H ATOM 228 2HE2 GLN A 17 -38.010 -30.459 -10.355 1.00 7.77 H ATOM 229 N PHE A 18 -32.991 -26.591 -9.617 1.00 21.84 N ATOM 230 H PHE A 18 -33.086 -27.413 -9.042 1.00 21.84 H ATOM 231 CA PHE A 18 -31.942 -25.638 -9.278 1.00 21.84 C ATOM 232 HA PHE A 18 -32.282 -24.636 -9.548 1.00 21.84 H ATOM 233 C PHE A 18 -30.639 -25.924 -10.034 1.00 21.84 C ATOM 234 O PHE A 18 -29.669 -25.196 -9.897 1.00 21.84 O ATOM 235 CB PHE A 18 -31.725 -25.692 -7.761 1.00 21.84 C ATOM 236 1HB PHE A 18 -32.704 -25.745 -7.287 1.00 21.84 H ATOM 237 2HB PHE A 18 -31.171 -26.599 -7.510 1.00 21.84 H ATOM 238 CG PHE A 18 -31.010 -24.491 -7.202 1.00 21.84 C ATOM 239 CD1 PHE A 18 -31.588 -23.211 -7.294 1.00 21.84 C ATOM 240 HD1 PHE A 18 -32.548 -23.083 -7.768 1.00 21.84 H ATOM 241 CD2 PHE A 18 -29.762 -24.631 -6.570 1.00 21.84 C ATOM 242 HD2 PHE A 18 -29.313 -25.608 -6.475 1.00 21.84 H ATOM 243 CE1 PHE A 18 -30.916 -22.072 -6.783 1.00 21.84 C ATOM 244 HE1 PHE A 18 -31.364 -21.094 -6.870 1.00 21.84 H ATOM 245 CE2 PHE A 18 -29.079 -23.505 -6.051 1.00 21.84 C ATOM 246 HE2 PHE A 18 -28.115 -23.628 -5.577 1.00 21.84 H ATOM 247 CZ PHE A 18 -29.657 -22.219 -6.163 1.00 21.84 C ATOM 248 HZ PHE A 18 -29.135 -21.351 -5.782 1.00 21.84 H ATOM 249 N GLY A 19 -30.608 -26.991 -10.825 1.00-18.04 N ATOM 250 H GLY A 19 -31.429 -27.579 -10.930 1.00-18.04 H ATOM 251 CA GLY A 19 -29.411 -27.319 -11.588 1.00-18.04 C ATOM 252 1HA GLY A 19 -29.713 -27.867 -12.483 1.00-18.04 H ATOM 253 2HA GLY A 19 -28.928 -26.395 -11.908 1.00-18.04 H ATOM 254 C GLY A 19 -28.385 -28.159 -10.852 1.00-18.04 C ATOM 255 O GLY A 19 -27.290 -28.391 -11.358 1.00-18.04 O ATOM 256 N TYR A 20 -28.749 -28.655 -9.679 1.00 -2.48 N ATOM 257 H TYR A 20 -29.672 -28.457 -9.333 1.00 -2.48 H ATOM 258 CA TYR A 20 -27.876 -29.506 -8.868 1.00 -2.48 C ATOM 259 HA TYR A 20 -26.933 -29.679 -9.385 1.00 -2.48 H ATOM 260 C TYR A 20 -28.561 -30.847 -8.671 1.00 -2.48 C ATOM 261 O TYR A 20 -29.794 -30.914 -8.672 1.00 -2.48 O ATOM 262 CB TYR A 20 -27.576 -28.855 -7.517 1.00 -2.48 C ATOM 263 1HB TYR A 20 -28.513 -28.520 -7.068 1.00 -2.48 H ATOM 264 2HB TYR A 20 -27.118 -29.595 -6.863 1.00 -2.48 H ATOM 265 CG TYR A 20 -26.628 -27.685 -7.646 1.00 -2.48 C ATOM 266 CD1 TYR A 20 -27.087 -26.412 -8.041 1.00 -2.48 C ATOM 267 HD1 TYR A 20 -28.133 -26.257 -8.255 1.00 -2.48 H ATOM 268 CD2 TYR A 20 -25.251 -27.854 -7.400 1.00 -2.48 C ATOM 269 HD2 TYR A 20 -24.872 -28.819 -7.099 1.00 -2.48 H ATOM 270 CE1 TYR A 20 -26.187 -25.328 -8.197 1.00 -2.48 C ATOM 271 HE1 TYR A 20 -26.556 -24.364 -8.512 1.00 -2.48 H ATOM 272 CE2 TYR A 20 -24.350 -26.771 -7.555 1.00 -2.48 C ATOM 273 HE2 TYR A 20 -23.302 -26.910 -7.376 1.00 -2.48 H ATOM 274 CZ TYR A 20 -24.825 -25.518 -7.949 1.00 -2.48 C ATOM 275 OH TYR A 20 -23.945 -24.475 -8.079 1.00 -2.48 O ATOM 276 HH TYR A 20 -24.369 -23.679 -8.404 1.00 -2.48 H ATOM 277 N CYS A 21 -27.785 -31.912 -8.546 1.00 5.50 N ATOM 278 H CYS A 21 -26.768 -31.793 -8.503 1.00 5.50 H ATOM 279 CA CYS A 21 -28.323 -33.268 -8.514 1.00 5.50 C ATOM 280 HA CYS A 21 -29.371 -33.220 -8.792 1.00 5.50 H ATOM 281 C CYS A 21 -28.265 -33.941 -7.143 1.00 5.50 C ATOM 282 O CYS A 21 -27.538 -33.515 -6.250 1.00 5.50 O ATOM 283 CB CYS A 21 -27.618 -34.112 -9.574 1.00 5.50 C ATOM 284 1HB CYS A 21 -28.095 -35.091 -9.627 1.00 5.50 H ATOM 285 2HB CYS A 21 -27.753 -33.621 -10.535 1.00 5.50 H ATOM 286 SG CYS A 21 -25.836 -34.348 -9.318 1.00 5.50 S ATOM 287 N GLY A 22 -29.072 -34.978 -6.960 1.00 3.65 N ATOM 288 H GLY A 22 -29.666 -35.300 -7.725 1.00 3.65 H ATOM 289 CA GLY A 22 -29.206 -35.627 -5.667 1.00 3.65 C ATOM 290 1HA GLY A 22 -28.262 -36.091 -5.387 1.00 3.65 H ATOM 291 2HA GLY A 22 -29.467 -34.876 -4.919 1.00 3.65 H ATOM 292 C GLY A 22 -30.294 -36.683 -5.713 1.00 3.65 C ATOM 293 O GLY A 22 -30.748 -37.033 -6.794 1.00 3.65 O ATOM 294 N LYS A 23 -30.706 -37.216 -4.568 1.00 3.65 N ATOM 295 H LYS A 23 -30.288 -36.905 -3.702 1.00 3.65 H ATOM 296 CA LYS A 23 -31.727 -38.277 -4.515 1.00 3.65 C ATOM 297 HA LYS A 23 -32.162 -38.407 -5.507 1.00 3.65 H ATOM 298 C LYS A 23 -32.893 -37.953 -3.581 1.00 3.65 C ATOM 299 O LYS A 23 -33.583 -38.839 -3.105 1.00 3.65 O ATOM 300 CB LYS A 23 -31.082 -39.611 -4.119 1.00 3.65 C ATOM 301 1HB LYS A 23 -30.506 -39.470 -3.205 1.00 3.65 H ATOM 302 2HB LYS A 23 -31.871 -40.337 -3.924 1.00 3.65 H ATOM 303 CG LYS A 23 -30.188 -40.210 -5.202 1.00 3.65 C ATOM 304 1HG LYS A 23 -30.777 -40.381 -6.104 1.00 3.65 H ATOM 305 2HG LYS A 23 -29.376 -39.521 -5.430 1.00 3.65 H ATOM 306 CD LYS A 23 -29.602 -41.531 -4.721 1.00 3.65 C ATOM 307 1HD LYS A 23 -28.967 -41.336 -3.856 1.00 3.65 H ATOM 308 2HD LYS A 23 -30.414 -42.192 -4.411 1.00 3.65 H ATOM 309 CE LYS A 23 -28.769 -42.230 -5.790 1.00 3.65 C ATOM 310 1HE LYS A 23 -28.032 -41.530 -6.189 1.00 3.65 H ATOM 311 2HE LYS A 23 -28.233 -43.061 -5.326 1.00 3.65 H ATOM 312 NZ LYS A 23 -29.600 -42.766 -6.919 1.00 3.65 N ATOM 313 1HZ LYS A 23 -28.991 -43.241 -7.583 1.00 3.65 H ATOM 314 2HZ LYS A 23 -30.064 -42.006 -7.413 1.00 3.65 H ATOM 315 3HZ LYS A 23 -30.294 -43.416 -6.581 1.00 3.65 H ATOM 316 N GLY A 24 -33.105 -36.678 -3.296 1.00 -1.80 N ATOM 317 H GLY A 24 -32.518 -35.974 -3.697 1.00 -1.80 H ATOM 318 CA GLY A 24 -34.250 -36.284 -2.485 1.00 -1.80 C ATOM 319 1HA GLY A 24 -34.477 -37.067 -1.764 1.00 -1.80 H ATOM 320 2HA GLY A 24 -34.025 -35.368 -1.948 1.00 -1.80 H ATOM 321 C GLY A 24 -35.463 -36.059 -3.376 1.00 -1.80 C ATOM 322 O GLY A 24 -35.273 -35.982 -4.593 1.00 -1.80 O ATOM 323 N PRO A 25 -36.689 -35.885 -2.849 1.00 -5.53 N ATOM 324 CA PRO A 25 -37.829 -35.708 -3.765 1.00 -5.53 C ATOM 325 HA PRO A 25 -37.943 -36.611 -4.360 1.00 -5.53 H ATOM 326 C PRO A 25 -37.780 -34.507 -4.709 1.00 -5.53 C ATOM 327 O PRO A 25 -38.238 -34.567 -5.839 1.00 -5.53 O ATOM 328 CB PRO A 25 -39.020 -35.566 -2.813 1.00 -5.53 C ATOM 329 1HB PRO A 25 -39.221 -34.517 -2.611 1.00 -5.53 H ATOM 330 2HB PRO A 25 -39.904 -36.053 -3.226 1.00 -5.53 H ATOM 331 CG PRO A 25 -38.584 -36.252 -1.577 1.00 -5.53 C ATOM 332 1HG PRO A 25 -39.160 -35.908 -0.718 1.00 -5.53 H ATOM 333 2HG PRO A 25 -38.682 -37.331 -1.701 1.00 -5.53 H ATOM 334 CD PRO A 25 -37.136 -35.881 -1.445 1.00 -5.53 C ATOM 335 1HD PRO A 25 -37.030 -34.886 -1.008 1.00 -5.53 H ATOM 336 2HD PRO A 25 -36.610 -36.632 -0.854 1.00 -5.53 H ATOM 337 N LYS A 26 -37.127 -33.424 -4.298 1.00 14.98 N ATOM 338 H LYS A 26 -36.749 -33.411 -3.368 1.00 14.98 H ATOM 339 CA LYS A 26 -36.962 -32.243 -5.166 1.00 14.98 C ATOM 340 HA LYS A 26 -37.953 -31.920 -5.486 1.00 14.98 H ATOM 341 C LYS A 26 -36.161 -32.547 -6.444 1.00 14.98 C ATOM 342 O LYS A 26 -36.155 -31.767 -7.388 1.00 14.98 O ATOM 343 CB LYS A 26 -36.318 -31.099 -4.361 1.00 14.98 C ATOM 344 1HB LYS A 26 -36.829 -31.026 -3.399 1.00 14.98 H ATOM 345 2HB LYS A 26 -35.269 -31.342 -4.179 1.00 14.98 H ATOM 346 CG LYS A 26 -36.400 -29.737 -5.045 1.00 14.98 C ATOM 347 1HG LYS A 26 -35.857 -29.784 -5.985 1.00 14.98 H ATOM 348 2HG LYS A 26 -37.445 -29.514 -5.261 1.00 14.98 H ATOM 349 CD LYS A 26 -35.814 -28.590 -4.243 1.00 14.98 C ATOM 350 1HD LYS A 26 -36.338 -28.507 -3.290 1.00 14.98 H ATOM 351 2HD LYS A 26 -34.754 -28.778 -4.069 1.00 14.98 H ATOM 352 CE LYS A 26 -35.985 -27.300 -5.048 1.00 14.98 C ATOM 353 1HE LYS A 26 -35.497 -27.425 -6.018 1.00 14.98 H ATOM 354 2HE LYS A 26 -37.051 -27.145 -5.233 1.00 14.98 H ATOM 355 NZ LYS A 26 -35.420 -26.086 -4.360 1.00 14.98 N ATOM 356 1HZ LYS A 26 -35.563 -25.268 -4.941 1.00 14.98 H ATOM 357 2HZ LYS A 26 -34.429 -26.205 -4.202 1.00 14.98 H ATOM 358 3HZ LYS A 26 -35.883 -25.951 -3.473 1.00 14.98 H ATOM 359 N TYR A 27 -35.481 -33.681 -6.467 1.00 36.93 N ATOM 360 H TYR A 27 -35.560 -34.329 -5.693 1.00 36.93 H ATOM 361 CA TYR A 27 -34.631 -34.058 -7.586 1.00 36.93 C ATOM 362 HA TYR A 27 -34.389 -33.174 -8.173 1.00 36.93 H ATOM 363 C TYR A 27 -35.296 -35.066 -8.522 1.00 36.93 C ATOM 364 O TYR A 27 -34.961 -35.089 -9.698 1.00 36.93 O ATOM 365 CB TYR A 27 -33.326 -34.650 -7.041 1.00 36.93 C ATOM 366 1HB TYR A 27 -33.558 -35.564 -6.496 1.00 36.93 H ATOM 367 2HB TYR A 27 -32.689 -34.913 -7.877 1.00 36.93 H ATOM 368 CG TYR A 27 -32.554 -33.718 -6.119 1.00 36.93 C ATOM 369 CD1 TYR A 27 -32.868 -33.615 -4.747 1.00 36.93 C ATOM 370 HD1 TYR A 27 -33.700 -34.169 -4.351 1.00 36.93 H ATOM 371 CD2 TYR A 27 -31.492 -32.946 -6.612 1.00 36.93 C ATOM 372 HD2 TYR A 27 -31.229 -33.010 -7.658 1.00 36.93 H ATOM 373 CE1 TYR A 27 -32.124 -32.770 -3.882 1.00 36.93 C ATOM 374 HE1 TYR A 27 -32.375 -32.704 -2.831 1.00 36.93 H ATOM 375 CE2 TYR A 27 -30.749 -32.087 -5.756 1.00 36.93 C ATOM 376 HE2 TYR A 27 -29.925 -31.503 -6.140 1.00 36.93 H ATOM 377 CZ TYR A 27 -31.071 -32.010 -4.401 1.00 36.93 C ATOM 378 OH TYR A 27 -30.346 -31.184 -3.584 1.00 36.93 O ATOM 379 HH TYR A 27 -30.585 -31.249 -2.660 1.00 36.93 H ATOM 380 N CYS A 28 -36.192 -35.906 -8.011 1.00 25.87 N ATOM 381 H CYS A 28 -36.475 -35.817 -7.046 1.00 25.87 H ATOM 382 CA CYS A 28 -36.753 -37.018 -8.796 1.00 25.87 C ATOM 383 HA CYS A 28 -36.528 -36.845 -9.848 1.00 25.87 H ATOM 384 C CYS A 28 -38.269 -37.250 -8.709 1.00 25.87 C ATOM 385 O CYS A 28 -38.814 -38.048 -9.474 1.00 25.87 O ATOM 386 CB CYS A 28 -36.048 -38.320 -8.385 1.00 25.87 C ATOM 387 1HB CYS A 28 -35.225 -38.079 -7.716 1.00 25.87 H ATOM 388 2HB CYS A 28 -36.764 -38.941 -7.845 1.00 25.87 H ATOM 389 SG CYS A 28 -35.410 -39.261 -9.815 1.00 25.87 S ATOM 390 N GLY A 29 -38.937 -36.573 -7.785 1.00-12.54 N ATOM 391 H GLY A 29 -38.471 -35.900 -7.192 1.00-12.54 H ATOM 392 CA GLY A 29 -40.340 -36.817 -7.488 1.00-12.54 C ATOM 393 1HA GLY A 29 -40.918 -35.907 -7.639 1.00-12.54 H ATOM 394 2HA GLY A 29 -40.739 -37.615 -8.115 1.00-12.54 H ATOM 395 C GLY A 29 -40.437 -37.231 -6.038 1.00-12.54 C ATOM 396 O GLY A 29 -41.400 -36.840 -5.353 1.00-12.54 O ATOM 397 OXT GLY A 29 -39.496 -37.899 -5.565 1.00-12.54 O TER 398 GLY A 29 CONECT 50 47 200 CONECT 131 128 286 CONECT 190 187 389 CONECT 200 50 197 CONECT 286 131 283 CONECT 389 190 386 END
SEQUENCE	VGECVRGRCPSGMCCSQFGYCGKGPKYCG
HELICITY	0.00	INSTAB. INDEX	22.29	FLEXIBILITY	17.63
a HYD. MOM.	5.11	b HYD. MOM.	6.43	c HYD. MOM	0.97
a MEAN HYD. MOM.	0.18	b MEAN HYD. MOM.	0.22	c MEAN HYD. MOM.	0.03
CHARGE pH5	3.15	CHARGE pH7	2.73	CHARGE pH9	-2.36
Δ CHARGE pH5-pH9	5.51	ISOELECTRIC POINT	8.66	BOMAN INDEX	1.13
ΔG	18	CPP	-0,45	MLP	-10,92
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	Magnoliophyta	CLASS	Magnoliopsida	ORDER	Caryophyllales
FAMILY	Amaranthaceae	GENUS	AmaranthusL.	SPECIES	Amaranthus caudatus
DATE	1998
TITLE PAPER	Antimicrobial peptides from Amaranthus caudatus seeds with sequence homology to the cysteine/glycine-rich domain of chitin-binding proteins