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ID	1831	NAME	AC-AMP2_1   Blast NCBI-PROT
LENGTH	30	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\VGECVRGRCPSGMCCSQFGYCGKGPKYCGR.pdb REMARK YASARA Written on: Wed May 14 14:17:53 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 421 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 (ACMP2); COMPND 3 CHAIN: A; SEQRES 1 A 30 VAL GLY GLU CYS VAL ARG GLY ARG CYS PRO SER GLY MET SEQRES 2 A 30 CYS CYS SER GLN PHE GLY TYR CYS GLY LYS GLY PRO LYS SEQRES 3 A 30 TYR CYS 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 SSBOND 1 CYS A 4 CYS A 15 2.03 SSBOND 3 CYS A 9 CYS A 21 2.03 SSBOND 5 CYS A 14 CYS A 28 2.04 ATOM 1 N VAL A 1 -6.902 29.566 31.692 1.00 -4.11 N ATOM 2 1H VAL A 1 -7.471 28.979 31.102 1.00 -4.11 H ATOM 3 2H VAL A 1 -5.938 29.264 31.657 1.00 -4.11 H ATOM 4 3H VAL A 1 -6.951 30.526 31.372 1.00 -4.11 H ATOM 5 CA VAL A 1 -7.383 29.498 33.096 1.00 -4.11 C ATOM 6 HA VAL A 1 -8.409 29.850 33.113 1.00 -4.11 H ATOM 7 C VAL A 1 -6.555 30.446 33.939 1.00 -4.11 C ATOM 8 O VAL A 1 -5.370 30.594 33.662 1.00 -4.11 O ATOM 9 CB VAL A 1 -7.377 28.023 33.604 1.00 -4.11 C ATOM 10 HB VAL A 1 -7.982 27.446 32.906 1.00 -4.11 H ATOM 11 CG1 VAL A 1 -5.970 27.392 33.613 1.00 -4.11 C ATOM 12 1HG1 VAL A 1 -6.039 26.356 33.952 1.00 -4.11 H ATOM 13 2HG1 VAL A 1 -5.309 27.934 34.295 1.00 -4.11 H ATOM 14 3HG1 VAL A 1 -5.534 27.390 32.615 1.00 -4.11 H ATOM 15 CG2 VAL A 1 -8.028 27.899 34.990 1.00 -4.11 C ATOM 16 1HG2 VAL A 1 -8.120 26.845 35.257 1.00 -4.11 H ATOM 17 2HG2 VAL A 1 -9.030 28.334 34.975 1.00 -4.11 H ATOM 18 3HG2 VAL A 1 -7.425 28.401 35.749 1.00 -4.11 H ATOM 19 N GLY A 2 -7.167 31.176 34.863 1.00 16.95 N ATOM 20 H GLY A 2 -8.149 31.026 35.083 1.00 16.95 H ATOM 21 CA GLY A 2 -6.506 32.338 35.430 1.00 16.95 C ATOM 22 1HA GLY A 2 -6.910 32.589 36.410 1.00 16.95 H ATOM 23 2HA GLY A 2 -5.425 32.207 35.469 1.00 16.95 H ATOM 24 C GLY A 2 -6.885 33.395 34.419 1.00 16.95 C ATOM 25 O GLY A 2 -8.072 33.658 34.278 1.00 16.95 O ATOM 26 N GLU A 3 -5.956 33.870 33.606 1.00 9.31 N ATOM 27 H GLU A 3 -4.988 33.620 33.738 1.00 9.31 H ATOM 28 CA GLU A 3 -6.328 34.644 32.420 1.00 9.31 C ATOM 29 HA GLU A 3 -6.935 35.511 32.687 1.00 9.31 H ATOM 30 C GLU A 3 -7.106 33.734 31.461 1.00 9.31 C ATOM 31 O GLU A 3 -6.984 32.499 31.505 1.00 9.31 O ATOM 32 CB GLU A 3 -5.098 35.078 31.619 1.00 9.31 C ATOM 33 1HB GLU A 3 -4.543 34.175 31.379 1.00 9.31 H ATOM 34 2HB GLU A 3 -5.462 35.512 30.692 1.00 9.31 H ATOM 35 CG GLU A 3 -4.120 36.074 32.199 1.00 9.31 C ATOM 36 1HG GLU A 3 -4.660 36.977 32.487 1.00 9.31 H ATOM 37 2HG GLU A 3 -3.645 35.642 33.082 1.00 9.31 H ATOM 38 CD GLU A 3 -3.050 36.432 31.157 1.00 9.31 C ATOM 39 OE1 GLU A 3 -2.186 37.295 31.427 1.00 9.31 O ATOM 40 OE2 GLU A 3 -3.061 35.860 30.035 1.00 9.31 O ATOM 41 N CYS A 4 -7.777 34.324 30.484 1.00 25.85 N ATOM 42 H CYS A 4 -8.078 35.296 30.582 1.00 25.85 H ATOM 43 CA CYS A 4 -7.871 33.697 29.169 1.00 25.85 C ATOM 44 HA CYS A 4 -8.121 32.642 29.268 1.00 25.85 H ATOM 45 C CYS A 4 -6.450 33.864 28.633 1.00 25.85 C ATOM 46 O CYS A 4 -6.083 34.957 28.221 1.00 25.85 O ATOM 47 CB CYS A 4 -8.902 34.411 28.292 1.00 25.85 C ATOM 48 1HB CYS A 4 -8.516 35.392 28.013 1.00 25.85 H ATOM 49 2HB CYS A 4 -9.071 33.828 27.386 1.00 25.85 H ATOM 50 SG CYS A 4 -10.473 34.656 29.180 1.00 25.85 S ATOM 51 N VAL A 5 -5.620 32.836 28.760 1.00 9.91 N ATOM 52 H VAL A 5 -6.019 31.915 28.893 1.00 9.91 H ATOM 53 CA VAL A 5 -4.158 32.951 28.697 1.00 9.91 C ATOM 54 HA VAL A 5 -3.853 33.743 29.371 1.00 9.91 H ATOM 55 C VAL A 5 -3.747 33.362 27.302 1.00 9.91 C ATOM 56 O VAL A 5 -3.880 32.583 26.356 1.00 9.91 O ATOM 57 CB VAL A 5 -3.430 31.653 29.120 1.00 9.91 C ATOM 58 HB VAL A 5 -3.719 30.852 28.440 1.00 9.91 H ATOM 59 CG1 VAL A 5 -1.902 31.825 29.063 1.00 9.91 C ATOM 60 1HG1 VAL A 5 -1.416 30.916 29.421 1.00 9.91 H ATOM 61 2HG1 VAL A 5 -1.590 32.665 29.689 1.00 9.91 H ATOM 62 3HG1 VAL A 5 -1.581 31.999 28.036 1.00 9.91 H ATOM 63 CG2 VAL A 5 -3.834 31.243 30.543 1.00 9.91 C ATOM 64 1HG2 VAL A 5 -3.330 30.315 30.813 1.00 9.91 H ATOM 65 2HG2 VAL A 5 -4.905 31.091 30.601 1.00 9.91 H ATOM 66 3HG2 VAL A 5 -3.549 32.020 31.255 1.00 9.91 H ATOM 67 N ARG A 6 -3.367 34.631 27.179 1.00 -0.99 N ATOM 68 H ARG A 6 -3.323 35.198 28.034 1.00 -0.99 H ATOM 69 CA ARG A 6 -3.116 35.270 25.879 1.00 -0.99 C ATOM 70 HA ARG A 6 -3.078 36.346 26.031 1.00 -0.99 H ATOM 71 C ARG A 6 -4.286 34.980 24.926 1.00 -0.99 C ATOM 72 O ARG A 6 -4.089 34.615 23.765 1.00 -0.99 O ATOM 73 CB ARG A 6 -1.764 34.818 25.295 1.00 -0.99 C ATOM 74 1HB ARG A 6 -1.839 33.755 25.065 1.00 -0.99 H ATOM 75 2HB ARG A 6 -1.593 35.349 24.358 1.00 -0.99 H ATOM 76 CG ARG A 6 -0.523 35.006 26.192 1.00 -0.99 C ATOM 77 1HG ARG A 6 -0.743 34.650 27.198 1.00 -0.99 H ATOM 78 2HG ARG A 6 0.267 34.372 25.790 1.00 -0.99 H ATOM 79 CD ARG A 6 0.046 36.439 26.279 1.00 -0.99 C ATOM 80 1HD ARG A 6 1.010 36.388 26.786 1.00 -0.99 H ATOM 81 2HD ARG A 6 0.222 36.806 25.267 1.00 -0.99 H ATOM 82 NE ARG A 6 -0.807 37.404 26.993 1.00 -0.99 N ATOM 83 HE ARG A 6 -1.338 38.041 26.426 1.00 -0.99 H ATOM 84 CZ ARG A 6 -0.952 37.513 28.309 1.00 -0.99 C ATOM 85 NH1 ARG A 6 -1.790 38.390 28.776 1.00 -0.99 N ATOM 86 1HH1 ARG A 6 -2.248 39.052 28.185 1.00 -0.99 H ATOM 87 2HH1 ARG A 6 -1.998 38.352 29.778 1.00 -0.99 H ATOM 88 NH2 ARG A 6 -0.323 36.778 29.185 1.00 -0.99 N ATOM 89 1HH2 ARG A 6 0.390 36.137 28.905 1.00 -0.99 H ATOM 90 2HH2 ARG A 6 -0.626 36.838 30.158 1.00 -0.99 H ATOM 91 N GLY A 7 -5.498 35.078 25.459 1.00-11.90 N ATOM 92 H GLY A 7 -5.585 35.337 26.440 1.00-11.90 H ATOM 93 CA GLY A 7 -6.722 34.818 24.714 1.00-11.90 C ATOM 94 1HA GLY A 7 -7.500 35.461 25.127 1.00-11.90 H ATOM 95 2HA GLY A 7 -6.569 35.122 23.678 1.00-11.90 H ATOM 96 C GLY A 7 -7.277 33.402 24.702 1.00-11.90 C ATOM 97 O GLY A 7 -8.252 33.163 24.000 1.00-11.90 O ATOM 98 N ARG A 8 -6.688 32.448 25.419 1.00-10.01 N ATOM 99 H ARG A 8 -5.876 32.673 25.988 1.00-10.01 H ATOM 100 CA ARG A 8 -7.112 31.036 25.340 1.00-10.01 C ATOM 101 HA ARG A 8 -8.003 30.976 24.714 1.00-10.01 H ATOM 102 C ARG A 8 -7.474 30.323 26.644 1.00-10.01 C ATOM 103 O ARG A 8 -7.059 30.697 27.738 1.00-10.01 O ATOM 104 CB ARG A 8 -5.999 30.263 24.624 1.00-10.01 C ATOM 105 1HB ARG A 8 -5.041 30.597 25.019 1.00-10.01 H ATOM 106 2HB ARG A 8 -6.099 29.197 24.832 1.00-10.01 H ATOM 107 CG ARG A 8 -6.030 30.453 23.107 1.00-10.01 C ATOM 108 1HG ARG A 8 -6.698 29.704 22.682 1.00-10.01 H ATOM 109 2HG ARG A 8 -6.424 31.439 22.865 1.00-10.01 H ATOM 110 CD ARG A 8 -4.660 30.324 22.468 1.00-10.01 C ATOM 111 1HD ARG A 8 -4.128 29.481 22.911 1.00-10.01 H ATOM 112 2HD ARG A 8 -4.797 30.138 21.402 1.00-10.01 H ATOM 113 NE ARG A 8 -3.882 31.563 22.628 1.00-10.01 N ATOM 114 HE ARG A 8 -4.312 32.308 23.163 1.00-10.01 H ATOM 115 CZ ARG A 8 -2.688 31.814 22.111 1.00-10.01 C ATOM 116 NH1 ARG A 8 -2.204 33.015 22.232 1.00-10.01 N ATOM 117 1HH1 ARG A 8 -2.761 33.724 22.709 1.00-10.01 H ATOM 118 2HH1 ARG A 8 -1.306 33.247 21.850 1.00-10.01 H ATOM 119 NH2 ARG A 8 -1.973 30.926 21.467 1.00-10.01 N ATOM 120 1HH2 ARG A 8 -2.326 29.990 21.367 1.00-10.01 H ATOM 121 2HH2 ARG A 8 -1.082 31.175 21.077 1.00-10.01 H ATOM 122 N CYS A 9 -8.246 29.256 26.514 1.00 17.24 N ATOM 123 H CYS A 9 -8.531 28.954 25.594 1.00 17.24 H ATOM 124 CA CYS A 9 -8.684 28.441 27.644 1.00 17.24 C ATOM 125 HA CYS A 9 -8.203 28.762 28.565 1.00 17.24 H ATOM 126 C CYS A 9 -8.320 26.992 27.355 1.00 17.24 C ATOM 127 O CYS A 9 -8.224 26.621 26.184 1.00 17.24 O ATOM 128 CB CYS A 9 -10.203 28.542 27.794 1.00 17.24 C ATOM 129 1HB CYS A 9 -10.669 28.357 26.826 1.00 17.24 H ATOM 130 2HB CYS A 9 -10.543 27.762 28.478 1.00 17.24 H ATOM 131 SG CYS A 9 -10.766 30.142 28.444 1.00 17.24 S ATOM 132 N PRO A 10 -8.144 26.162 28.400 1.00 5.19 N ATOM 133 CA PRO A 10 -8.161 24.735 28.062 1.00 5.19 C ATOM 134 HA PRO A 10 -7.468 24.509 27.252 1.00 5.19 H ATOM 135 C PRO A 10 -9.579 24.312 27.682 1.00 5.19 C ATOM 136 O PRO A 10 -10.550 25.016 27.983 1.00 5.19 O ATOM 137 CB PRO A 10 -7.699 24.073 29.362 1.00 5.19 C ATOM 138 1HB PRO A 10 -8.113 23.070 29.462 1.00 5.19 H ATOM 139 2HB PRO A 10 -6.610 24.045 29.400 1.00 5.19 H ATOM 140 CG PRO A 10 -8.225 24.966 30.412 1.00 5.19 C ATOM 141 1HG PRO A 10 -9.285 24.762 30.562 1.00 5.19 H ATOM 142 2HG PRO A 10 -7.677 24.839 31.345 1.00 5.19 H ATOM 143 CD PRO A 10 -8.040 26.359 29.860 1.00 5.19 C ATOM 144 1HD PRO A 10 -8.826 27.019 30.228 1.00 5.19 H ATOM 145 2HD PRO A 10 -7.052 26.742 30.117 1.00 5.19 H ATOM 146 N SER A 11 -9.708 23.164 27.034 1.00 5.44 N ATOM 147 H SER A 11 -8.897 22.609 26.824 1.00 5.44 H ATOM 148 CA SER A 11 -11.026 22.668 26.653 1.00 5.44 C ATOM 149 HA SER A 11 -11.520 23.420 26.037 1.00 5.44 H ATOM 150 C SER A 11 -11.853 22.435 27.914 1.00 5.44 C ATOM 151 O SER A 11 -11.338 21.992 28.938 1.00 5.44 O ATOM 152 CB SER A 11 -10.912 21.367 25.858 1.00 5.44 C ATOM 153 1HB SER A 11 -10.287 21.539 24.981 1.00 5.44 H ATOM 154 2HB SER A 11 -10.451 20.602 26.484 1.00 5.44 H ATOM 155 OG SER A 11 -12.192 20.928 25.435 1.00 5.44 O ATOM 156 HG SER A 11 -12.090 20.102 24.953 1.00 5.44 H ATOM 157 N GLY A 12 -13.135 22.763 27.841 1.00-13.29 N ATOM 158 H GLY A 12 -13.501 23.131 26.977 1.00-13.29 H ATOM 159 CA GLY A 12 -14.026 22.593 28.976 1.00-13.29 C ATOM 160 1HA GLY A 12 -15.028 22.404 28.596 1.00-13.29 H ATOM 161 2HA GLY A 12 -13.709 21.725 29.555 1.00-13.29 H ATOM 162 C GLY A 12 -14.089 23.789 29.904 1.00-13.29 C ATOM 163 O GLY A 12 -14.865 23.766 30.862 1.00-13.29 O ATOM 164 N MET A 13 -13.342 24.845 29.615 1.00 2.06 N ATOM 165 H MET A 13 -12.738 24.832 28.798 1.00 2.06 H ATOM 166 CA MET A 13 -13.381 26.083 30.394 1.00 2.06 C ATOM 167 HA MET A 13 -14.208 26.061 31.102 1.00 2.06 H ATOM 168 C MET A 13 -13.633 27.207 29.405 1.00 2.06 C ATOM 169 O MET A 13 -13.411 27.028 28.211 1.00 2.06 O ATOM 170 CB MET A 13 -12.076 26.305 31.156 1.00 2.06 C ATOM 171 1HB MET A 13 -11.244 26.296 30.453 1.00 2.06 H ATOM 172 2HB MET A 13 -12.113 27.283 31.631 1.00 2.06 H ATOM 173 CG MET A 13 -11.832 25.266 32.230 1.00 2.06 C ATOM 174 1HG MET A 13 -12.721 25.182 32.853 1.00 2.06 H ATOM 175 2HG MET A 13 -11.633 24.302 31.761 1.00 2.06 H ATOM 176 SD MET A 13 -10.439 25.729 33.267 1.00 2.06 S ATOM 177 CE MET A 13 -10.237 24.245 34.262 1.00 2.06 C ATOM 178 1HE MET A 13 -9.405 24.379 34.953 1.00 2.06 H ATOM 179 2HE MET A 13 -10.031 23.392 33.613 1.00 2.06 H ATOM 180 3HE MET A 13 -11.148 24.055 34.830 1.00 2.06 H ATOM 181 N CYS A 14 -14.151 28.324 29.889 1.00 3.66 N ATOM 182 H CYS A 14 -14.221 28.458 30.896 1.00 3.66 H ATOM 183 CA CYS A 14 -14.661 29.384 29.031 1.00 3.66 C ATOM 184 HA CYS A 14 -14.409 29.174 27.991 1.00 3.66 H ATOM 185 C CYS A 14 -14.079 30.735 29.444 1.00 3.66 C ATOM 186 O CYS A 14 -13.746 30.940 30.613 1.00 3.66 O ATOM 187 CB CYS A 14 -16.178 29.441 29.184 1.00 3.66 C ATOM 188 1HB CYS A 14 -16.380 29.821 30.181 1.00 3.66 H ATOM 189 2HB CYS A 14 -16.583 30.158 28.469 1.00 3.66 H ATOM 190 SG CYS A 14 -17.075 27.862 29.023 1.00 3.66 S ATOM 191 N CYS A 15 -13.968 31.657 28.500 1.00-13.35 N ATOM 192 H CYS A 15 -14.276 31.450 27.564 1.00-13.35 H ATOM 193 CA CYS A 15 -13.437 32.989 28.780 1.00-13.35 C ATOM 194 HA CYS A 15 -12.707 32.926 29.586 1.00-13.35 H ATOM 195 C CYS A 15 -14.578 33.914 29.205 1.00-13.35 C ATOM 196 O CYS A 15 -15.595 33.995 28.514 1.00-13.35 O ATOM 197 CB CYS A 15 -12.746 33.535 27.523 1.00-13.35 C ATOM 198 1HB CYS A 15 -12.031 32.793 27.170 1.00-13.35 H ATOM 199 2HB CYS A 15 -13.499 33.683 26.748 1.00-13.35 H ATOM 200 SG CYS A 15 -11.860 35.108 27.772 1.00-13.35 S ATOM 201 N SER A 16 -14.421 34.595 30.331 1.00-13.16 N ATOM 202 H SER A 16 -13.549 34.498 30.844 1.00-13.16 H ATOM 203 CA SER A 16 -15.419 35.534 30.846 1.00-13.16 C ATOM 204 HA SER A 16 -16.421 35.143 30.678 1.00-13.16 H ATOM 205 C SER A 16 -15.279 36.891 30.172 1.00-13.16 C ATOM 206 O SER A 16 -14.287 37.161 29.498 1.00-13.16 O ATOM 207 CB SER A 16 -15.217 35.751 32.346 1.00-13.16 C ATOM 208 1HB SER A 16 -16.011 36.394 32.725 1.00-13.16 H ATOM 209 2HB SER A 16 -15.272 34.795 32.860 1.00-13.16 H ATOM 210 OG SER A 16 -13.961 36.356 32.600 1.00-13.16 O ATOM 211 HG SER A 16 -13.273 35.690 32.427 1.00-13.16 H ATOM 212 N GLN A 17 -16.210 37.799 30.432 1.00 9.51 N ATOM 213 H GLN A 17 -17.017 37.556 31.011 1.00 9.51 H ATOM 214 CA GLN A 17 -16.080 39.179 29.957 1.00 9.51 C ATOM 215 HA GLN A 17 -15.798 39.158 28.904 1.00 9.51 H ATOM 216 C GLN A 17 -14.983 39.935 30.708 1.00 9.51 C ATOM 217 O GLN A 17 -14.592 41.025 30.317 1.00 9.51 O ATOM 218 CB GLN A 17 -17.404 39.953 30.083 1.00 9.51 C ATOM 219 1HB GLN A 17 -17.255 40.924 29.612 1.00 9.51 H ATOM 220 2HB GLN A 17 -18.168 39.433 29.512 1.00 9.51 H ATOM 221 CG GLN A 17 -17.945 40.210 31.504 1.00 9.51 C ATOM 222 1HG GLN A 17 -17.120 40.329 32.203 1.00 9.51 H ATOM 223 2HG GLN A 17 -18.504 41.144 31.486 1.00 9.51 H ATOM 224 CD GLN A 17 -18.877 39.126 32.010 1.00 9.51 C ATOM 225 OE1 GLN A 17 -18.529 37.957 32.054 1.00 9.51 O ATOM 226 NE2 GLN A 17 -20.078 39.505 32.352 1.00 9.51 N ATOM 227 1HE2 GLN A 17 -20.763 38.806 32.646 1.00 9.51 H ATOM 228 2HE2 GLN A 17 -20.336 40.473 32.317 1.00 9.51 H ATOM 229 N PHE A 18 -14.499 39.357 31.797 1.00-13.60 N ATOM 230 H PHE A 18 -14.837 38.447 32.070 1.00-13.60 H ATOM 231 CA PHE A 18 -13.506 40.000 32.651 1.00-13.60 C ATOM 232 HA PHE A 18 -13.647 41.081 32.606 1.00-13.60 H ATOM 233 C PHE A 18 -12.080 39.678 32.211 1.00-13.60 C ATOM 234 O PHE A 18 -11.118 40.096 32.840 1.00-13.60 O ATOM 235 CB PHE A 18 -13.728 39.534 34.091 1.00-13.60 C ATOM 236 1HB PHE A 18 -13.445 38.485 34.162 1.00-13.60 H ATOM 237 2HB PHE A 18 -13.083 40.110 34.754 1.00-13.60 H ATOM 238 CG PHE A 18 -15.157 39.665 34.548 1.00-13.60 C ATOM 239 CD1 PHE A 18 -15.949 38.518 34.742 1.00-13.60 C ATOM 240 HD1 PHE A 18 -15.517 37.538 34.604 1.00-13.60 H ATOM 241 CD2 PHE A 18 -15.728 40.932 34.765 1.00-13.60 C ATOM 242 HD2 PHE A 18 -15.129 41.823 34.629 1.00-13.60 H ATOM 243 CE1 PHE A 18 -17.310 38.626 35.115 1.00-13.60 C ATOM 244 HE1 PHE A 18 -17.909 37.736 35.236 1.00-13.60 H ATOM 245 CE2 PHE A 18 -17.089 41.060 35.148 1.00-13.60 C ATOM 246 HE2 PHE A 18 -17.515 42.039 35.310 1.00-13.60 H ATOM 247 CZ PHE A 18 -17.884 39.901 35.316 1.00-13.60 C ATOM 248 HZ PHE A 18 -18.922 39.992 35.597 1.00-13.60 H ATOM 249 N GLY A 19 -11.944 38.889 31.151 1.00-19.75 N ATOM 250 H GLY A 19 -12.763 38.555 30.659 1.00-19.75 H ATOM 251 CA GLY A 19 -10.628 38.504 30.659 1.00-19.75 C ATOM 252 1HA GLY A 19 -10.712 38.237 29.606 1.00-19.75 H ATOM 253 2HA GLY A 19 -9.948 39.351 30.751 1.00-19.75 H ATOM 254 C GLY A 19 -10.030 37.327 31.404 1.00-19.75 C ATOM 255 O GLY A 19 -8.915 36.884 31.121 1.00-19.75 O ATOM 256 N TYR A 20 -10.786 36.791 32.349 1.00 -6.60 N ATOM 257 H TYR A 20 -11.688 37.195 32.537 1.00 -6.60 H ATOM 258 CA TYR A 20 -10.362 35.628 33.119 1.00 -6.60 C ATOM 259 HA TYR A 20 -9.287 35.503 33.022 1.00 -6.60 H ATOM 260 C TYR A 20 -11.041 34.384 32.574 1.00 -6.60 C ATOM 261 O TYR A 20 -12.115 34.472 31.985 1.00 -6.60 O ATOM 262 CB TYR A 20 -10.696 35.826 34.597 1.00 -6.60 C ATOM 263 1HB TYR A 20 -11.768 35.994 34.704 1.00 -6.60 H ATOM 264 2HB TYR A 20 -10.425 34.924 35.146 1.00 -6.60 H ATOM 265 CG TYR A 20 -9.947 36.999 35.188 1.00 -6.60 C ATOM 266 CD1 TYR A 20 -10.638 38.122 35.686 1.00 -6.60 C ATOM 267 HD1 TYR A 20 -11.717 38.135 35.684 1.00 -6.60 H ATOM 268 CD2 TYR A 20 -8.536 37.006 35.228 1.00 -6.60 C ATOM 269 HD2 TYR A 20 -7.981 36.152 34.869 1.00 -6.60 H ATOM 270 CE1 TYR A 20 -9.930 39.250 36.181 1.00 -6.60 C ATOM 271 HE1 TYR A 20 -10.465 40.116 36.543 1.00 -6.60 H ATOM 272 CE2 TYR A 20 -7.826 38.131 35.724 1.00 -6.60 C ATOM 273 HE2 TYR A 20 -6.747 38.130 35.733 1.00 -6.60 H ATOM 274 CZ TYR A 20 -8.534 39.245 36.187 1.00 -6.60 C ATOM 275 OH TYR A 20 -7.851 40.336 36.662 1.00 -6.60 O ATOM 276 HH TYR A 20 -6.901 40.234 36.594 1.00 -6.60 H ATOM 277 N CYS A 21 -10.441 33.223 32.774 1.00 23.93 N ATOM 278 H CYS A 21 -9.585 33.202 33.330 1.00 23.93 H ATOM 279 CA CYS A 21 -10.977 31.966 32.265 1.00 23.93 C ATOM 280 HA CYS A 21 -11.987 32.122 31.893 1.00 23.93 H ATOM 281 C CYS A 21 -11.052 30.948 33.389 1.00 23.93 C ATOM 282 O CYS A 21 -10.163 30.869 34.243 1.00 23.93 O ATOM 283 CB CYS A 21 -10.112 31.441 31.120 1.00 23.93 C ATOM 284 1HB CYS A 21 -10.116 32.177 30.320 1.00 23.93 H ATOM 285 2HB CYS A 21 -9.095 31.335 31.481 1.00 23.93 H ATOM 286 SG CYS A 21 -10.653 29.841 30.446 1.00 23.93 S ATOM 287 N GLY A 22 -12.119 30.169 33.364 1.00 -1.47 N ATOM 288 H GLY A 22 -12.789 30.251 32.599 1.00 -1.47 H ATOM 289 CA GLY A 22 -12.422 29.207 34.404 1.00 -1.47 C ATOM 290 1HA GLY A 22 -11.648 28.444 34.475 1.00 -1.47 H ATOM 291 2HA GLY A 22 -12.563 29.714 35.359 1.00 -1.47 H ATOM 292 C GLY A 22 -13.722 28.604 33.926 1.00 -1.47 C ATOM 293 O GLY A 22 -14.019 28.703 32.736 1.00 -1.47 O ATOM 294 N LYS A 23 -14.520 28.012 34.798 1.00 -1.91 N ATOM 295 H LYS A 23 -14.275 27.981 35.782 1.00 -1.91 H ATOM 296 CA LYS A 23 -15.803 27.443 34.394 1.00 -1.91 C ATOM 297 HA LYS A 23 -16.084 27.808 33.407 1.00 -1.91 H ATOM 298 C LYS A 23 -16.789 27.948 35.429 1.00 -1.91 C ATOM 299 O LYS A 23 -16.425 28.057 36.591 1.00 -1.91 O ATOM 300 CB LYS A 23 -15.695 25.916 34.377 1.00 -1.91 C ATOM 301 1HB LYS A 23 -14.789 25.651 33.832 1.00 -1.91 H ATOM 302 2HB LYS A 23 -15.595 25.558 35.402 1.00 -1.91 H ATOM 303 CG LYS A 23 -16.859 25.205 33.707 1.00 -1.91 C ATOM 304 1HG LYS A 23 -17.792 25.469 34.203 1.00 -1.91 H ATOM 305 2HG LYS A 23 -16.902 25.522 32.666 1.00 -1.91 H ATOM 306 CD LYS A 23 -16.657 23.694 33.774 1.00 -1.91 C ATOM 307 1HD LYS A 23 -15.670 23.450 33.378 1.00 -1.91 H ATOM 308 2HD LYS A 23 -16.696 23.378 34.818 1.00 -1.91 H ATOM 309 CE LYS A 23 -17.709 22.923 32.978 1.00 -1.91 C ATOM 310 1HE LYS A 23 -17.564 21.856 33.159 1.00 -1.91 H ATOM 311 2HE LYS A 23 -18.705 23.204 33.325 1.00 -1.91 H ATOM 312 NZ LYS A 23 -17.588 23.192 31.503 1.00 -1.91 N ATOM 313 1HZ LYS A 23 -18.172 22.556 30.978 1.00 -1.91 H ATOM 314 2HZ LYS A 23 -16.618 23.075 31.217 1.00 -1.91 H ATOM 315 3HZ LYS A 23 -17.856 24.145 31.300 1.00 -1.91 H ATOM 316 N GLY A 24 -18.002 28.288 35.024 1.00 11.87 N ATOM 317 H GLY A 24 -18.261 28.204 34.053 1.00 11.87 H ATOM 318 CA GLY A 24 -18.987 28.813 35.956 1.00 11.87 C ATOM 319 1HA GLY A 24 -19.565 27.985 36.366 1.00 11.87 H ATOM 320 2HA GLY A 24 -18.487 29.333 36.774 1.00 11.87 H ATOM 321 C GLY A 24 -19.931 29.772 35.259 1.00 11.87 C ATOM 322 O GLY A 24 -19.728 30.018 34.063 1.00 11.87 O ATOM 323 N PRO A 25 -20.956 30.317 35.941 1.00 -1.89 N ATOM 324 CA PRO A 25 -22.028 31.082 35.281 1.00 -1.89 C ATOM 325 HA PRO A 25 -22.554 30.430 34.583 1.00 -1.89 H ATOM 326 C PRO A 25 -21.665 32.363 34.540 1.00 -1.89 C ATOM 327 O PRO A 25 -22.440 32.803 33.711 1.00 -1.89 O ATOM 328 CB PRO A 25 -22.964 31.439 36.442 1.00 -1.89 C ATOM 329 1HB PRO A 25 -22.721 32.430 36.827 1.00 -1.89 H ATOM 330 2HB PRO A 25 -24.006 31.402 36.122 1.00 -1.89 H ATOM 331 CG PRO A 25 -22.702 30.410 37.464 1.00 -1.89 C ATOM 332 1HG PRO A 25 -22.997 30.757 38.455 1.00 -1.89 H ATOM 333 2HG PRO A 25 -23.229 29.491 37.206 1.00 -1.89 H ATOM 334 CD PRO A 25 -21.224 30.191 37.387 1.00 -1.89 C ATOM 335 1HD PRO A 25 -20.690 30.966 37.941 1.00 -1.89 H ATOM 336 2HD PRO A 25 -20.973 29.199 37.765 1.00 -1.89 H ATOM 337 N LYS A 26 -20.509 32.961 34.807 1.00 10.78 N ATOM 338 H LYS A 26 -19.913 32.595 35.532 1.00 10.78 H ATOM 339 CA LYS A 26 -20.073 34.153 34.063 1.00 10.78 C ATOM 340 HA LYS A 26 -20.840 34.407 33.332 1.00 10.78 H ATOM 341 C LYS A 26 -18.817 33.896 33.250 1.00 10.78 C ATOM 342 O LYS A 26 -18.209 34.803 32.707 1.00 10.78 O ATOM 343 CB LYS A 26 -19.933 35.373 34.975 1.00 10.78 C ATOM 344 1HB LYS A 26 -19.195 35.184 35.753 1.00 10.78 H ATOM 345 2HB LYS A 26 -19.598 36.213 34.364 1.00 10.78 H ATOM 346 CG LYS A 26 -21.268 35.750 35.599 1.00 10.78 C ATOM 347 1HG LYS A 26 -22.023 35.686 34.822 1.00 10.78 H ATOM 348 2HG LYS A 26 -21.522 35.042 36.388 1.00 10.78 H ATOM 349 CD LYS A 26 -21.268 37.165 36.160 1.00 10.78 C ATOM 350 1HD LYS A 26 -20.547 37.228 36.975 1.00 10.78 H ATOM 351 2HD LYS A 26 -20.970 37.859 35.372 1.00 10.78 H ATOM 352 CE LYS A 26 -22.657 37.568 36.669 1.00 10.78 C ATOM 353 1HE LYS A 26 -22.973 36.863 37.439 1.00 10.78 H ATOM 354 2HE LYS A 26 -22.586 38.562 37.115 1.00 10.78 H ATOM 355 NZ LYS A 26 -23.687 37.603 35.567 1.00 10.78 N ATOM 356 1HZ LYS A 26 -24.570 37.956 35.900 1.00 10.78 H ATOM 357 2HZ LYS A 26 -23.821 36.679 35.165 1.00 10.78 H ATOM 358 3HZ LYS A 26 -23.356 38.182 34.797 1.00 10.78 H ATOM 359 N TYR A 27 -18.460 32.627 33.142 1.00 29.42 N ATOM 360 H TYR A 27 -19.001 31.921 33.613 1.00 29.42 H ATOM 361 CA TYR A 27 -17.390 32.211 32.238 1.00 29.42 C ATOM 362 HA TYR A 27 -16.795 33.067 31.924 1.00 29.42 H ATOM 363 C TYR A 27 -18.070 31.620 31.016 1.00 29.42 C ATOM 364 O TYR A 27 -17.821 32.029 29.889 1.00 29.42 O ATOM 365 CB TYR A 27 -16.484 31.159 32.879 1.00 29.42 C ATOM 366 1HB TYR A 27 -17.091 30.343 33.264 1.00 29.42 H ATOM 367 2HB TYR A 27 -15.832 30.759 32.108 1.00 29.42 H ATOM 368 CG TYR A 27 -15.615 31.691 33.992 1.00 29.42 C ATOM 369 CD1 TYR A 27 -15.909 31.416 35.343 1.00 29.42 C ATOM 370 HD1 TYR A 27 -16.775 30.827 35.599 1.00 29.42 H ATOM 371 CD2 TYR A 27 -14.473 32.461 33.697 1.00 29.42 C ATOM 372 HD2 TYR A 27 -14.222 32.677 32.667 1.00 29.42 H ATOM 373 CE1 TYR A 27 -15.067 31.896 36.383 1.00 29.42 C ATOM 374 HE1 TYR A 27 -15.289 31.665 37.414 1.00 29.42 H ATOM 375 CE2 TYR A 27 -13.645 32.961 34.734 1.00 29.42 C ATOM 376 HE2 TYR A 27 -12.780 33.561 34.506 1.00 29.42 H ATOM 377 CZ TYR A 27 -13.945 32.668 36.063 1.00 29.42 C ATOM 378 OH TYR A 27 -13.114 33.141 37.045 1.00 29.42 O ATOM 379 HH TYR A 27 -13.400 32.900 37.928 1.00 29.42 H ATOM 380 N CYS A 28 -18.974 30.683 31.264 1.00 3.26 N ATOM 381 H CYS A 28 -19.188 30.442 32.224 1.00 3.26 H ATOM 382 CA CYS A 28 -19.706 29.967 30.220 1.00 3.26 C ATOM 383 HA CYS A 28 -19.236 30.140 29.251 1.00 3.26 H ATOM 384 C CYS A 28 -21.126 30.527 30.198 1.00 3.26 C ATOM 385 O CYS A 28 -22.110 29.801 30.126 1.00 3.26 O ATOM 386 CB CYS A 28 -19.714 28.464 30.524 1.00 3.26 C ATOM 387 1HB CYS A 28 -20.309 28.311 31.424 1.00 3.26 H ATOM 388 2HB CYS A 28 -20.218 27.952 29.702 1.00 3.26 H ATOM 389 SG CYS A 28 -18.074 27.702 30.789 1.00 3.26 S ATOM 390 N GLY A 29 -21.186 31.838 30.354 1.00 17.60 N ATOM 391 H GLY A 29 -20.329 32.378 30.386 1.00 17.60 H ATOM 392 CA GLY A 29 -22.416 32.593 30.513 1.00 17.60 C ATOM 393 1HA GLY A 29 -23.002 32.591 29.594 1.00 17.60 H ATOM 394 2HA GLY A 29 -22.998 32.224 31.356 1.00 17.60 H ATOM 395 C GLY A 29 -21.854 33.970 30.797 1.00 17.60 C ATOM 396 O GLY A 29 -20.633 34.115 30.642 1.00 17.60 O ATOM 397 N ARG A 30 -22.645 34.964 31.175 1.00 3.31 N ATOM 398 H ARG A 30 -23.619 34.791 31.400 1.00 3.31 H ATOM 399 CA ARG A 30 -22.161 36.335 31.364 1.00 3.31 C ATOM 400 HA ARG A 30 -21.099 36.331 31.604 1.00 3.31 H ATOM 401 C ARG A 30 -22.885 36.922 32.552 1.00 3.31 C ATOM 402 O ARG A 30 -22.478 37.995 33.042 1.00 3.31 O ATOM 403 OXT ARG A 30 -23.837 36.271 33.020 1.00 3.31 O ATOM 404 CB ARG A 30 -22.427 37.190 30.113 1.00 3.31 C ATOM 405 1HB ARG A 30 -23.474 37.069 29.833 1.00 3.31 H ATOM 406 2HB ARG A 30 -22.266 38.237 30.370 1.00 3.31 H ATOM 407 CG ARG A 30 -21.547 36.863 28.903 1.00 3.31 C ATOM 408 1HG ARG A 30 -21.593 35.796 28.691 1.00 3.31 H ATOM 409 2HG ARG A 30 -21.909 37.413 28.035 1.00 3.31 H ATOM 410 CD ARG A 30 -20.109 37.273 29.186 1.00 3.31 C ATOM 411 1HD ARG A 30 -20.091 38.350 29.344 1.00 3.31 H ATOM 412 2HD ARG A 30 -19.775 36.795 30.105 1.00 3.31 H ATOM 413 NE ARG A 30 -19.153 36.937 28.122 1.00 3.31 N ATOM 414 HE ARG A 30 -19.073 37.596 27.368 1.00 3.31 H ATOM 415 CZ ARG A 30 -18.350 35.881 28.107 1.00 3.31 C ATOM 416 NH1 ARG A 30 -17.411 35.825 27.209 1.00 3.31 N ATOM 417 1HH1 ARG A 30 -17.325 36.527 26.501 1.00 3.31 H ATOM 418 2HH1 ARG A 30 -16.740 35.064 27.269 1.00 3.31 H ATOM 419 NH2 ARG A 30 -18.419 34.895 28.957 1.00 3.31 N ATOM 420 1HH2 ARG A 30 -19.157 34.868 29.655 1.00 3.31 H ATOM 421 2HH2 ARG A 30 -17.744 34.138 28.918 1.00 3.31 H TER 422 ARG A 30 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	VGECVRGRCPSGMCCSQFGYCGKGPKYCGR
HELICITY	0.00	INSTAB. INDEX	21.88	FLEXIBILITY	17.19
a HYD. MOM.	13.92	b HYD. MOM.	7.08	c HYD. MOM	2.40
a MEAN HYD. MOM.	0.46	b MEAN HYD. MOM.	0.24	c MEAN HYD. MOM.	0.08
CHARGE pH5	4.15	CHARGE pH7	3.73	CHARGE pH9	-1.36
Δ CHARGE pH5-pH9	5.51	ISOELECTRIC POINT	8.92	BOMAN INDEX	1.59
ΔG	20	CPP	-0,21	MLP	-11,12
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