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ID	1200	NAME	Moronecidin_4   Blast NCBI-PROT
LENGTH	23	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\FFHHIFRGIVHVGRTIHRLVTGG.pdb REMARK YASARA Written on: Wed May 14 12:51:02 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 383 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: MORONECIDIN; COMPND 3 CHAIN: A; SEQRES 1 A 23 PHE PHE HIS HIS ILE PHE ARG GLY ILE VAL HIS VAL GLY SEQRES 2 A 23 ARG THR ILE HIS ARG LEU VAL THR GLY 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 ATOM 1 N PHE A 1 -4.916 -15.609 -26.220 1.00-34.62 N ATOM 2 1H PHE A 1 -4.583 -14.748 -25.808 1.00-34.62 H ATOM 3 2H PHE A 1 -5.857 -15.473 -26.560 1.00-34.62 H ATOM 4 3H PHE A 1 -4.313 -15.860 -26.991 1.00-34.62 H ATOM 5 CA PHE A 1 -4.896 -16.690 -25.193 1.00-34.62 C ATOM 6 HA PHE A 1 -3.867 -16.815 -24.855 1.00-34.62 H ATOM 7 C PHE A 1 -5.358 -18.031 -25.762 1.00-34.62 C ATOM 8 O PHE A 1 -4.554 -18.955 -25.843 1.00-34.62 O ATOM 9 CB PHE A 1 -5.753 -16.302 -23.985 1.00-34.62 C ATOM 10 1HB PHE A 1 -6.791 -16.192 -24.298 1.00-34.62 H ATOM 11 2HB PHE A 1 -5.699 -17.104 -23.248 1.00-34.62 H ATOM 12 CG PHE A 1 -5.314 -15.021 -23.336 1.00-34.62 C ATOM 13 CD1 PHE A 1 -6.035 -13.829 -23.545 1.00-34.62 C ATOM 14 HD1 PHE A 1 -6.937 -13.833 -24.141 1.00-34.62 H ATOM 15 CD2 PHE A 1 -4.165 -14.994 -22.524 1.00-34.62 C ATOM 16 HD2 PHE A 1 -3.613 -15.904 -22.329 1.00-34.62 H ATOM 17 CE1 PHE A 1 -5.599 -12.610 -22.971 1.00-34.62 C ATOM 18 HE1 PHE A 1 -6.157 -11.699 -23.137 1.00-34.62 H ATOM 19 CE2 PHE A 1 -3.718 -13.783 -21.944 1.00-34.62 C ATOM 20 HE2 PHE A 1 -2.835 -13.772 -21.319 1.00-34.62 H ATOM 21 CZ PHE A 1 -4.434 -12.587 -22.172 1.00-34.62 C ATOM 22 HZ PHE A 1 -4.098 -11.660 -21.729 1.00-34.62 H ATOM 23 N PHE A 2 -6.635 -18.181 -26.113 1.00 5.47 N ATOM 24 H PHE A 2 -7.268 -17.396 -26.126 1.00 5.47 H ATOM 25 CA PHE A 2 -7.224 -19.506 -26.354 1.00 5.47 C ATOM 26 HA PHE A 2 -7.136 -20.065 -25.424 1.00 5.47 H ATOM 27 C PHE A 2 -6.582 -20.397 -27.417 1.00 5.47 C ATOM 28 O PHE A 2 -6.624 -21.604 -27.291 1.00 5.47 O ATOM 29 CB PHE A 2 -8.723 -19.374 -26.645 1.00 5.47 C ATOM 30 1HB PHE A 2 -9.176 -18.767 -25.862 1.00 5.47 H ATOM 31 2HB PHE A 2 -8.860 -18.866 -27.600 1.00 5.47 H ATOM 32 CG PHE A 2 -9.440 -20.701 -26.693 1.00 5.47 C ATOM 33 CD1 PHE A 2 -9.710 -21.406 -25.506 1.00 5.47 C ATOM 34 HD1 PHE A 2 -9.462 -20.972 -24.549 1.00 5.47 H ATOM 35 CD2 PHE A 2 -9.798 -21.277 -27.927 1.00 5.47 C ATOM 36 HD2 PHE A 2 -9.609 -20.746 -28.849 1.00 5.47 H ATOM 37 CE1 PHE A 2 -10.295 -22.697 -25.546 1.00 5.47 C ATOM 38 HE1 PHE A 2 -10.487 -23.235 -24.628 1.00 5.47 H ATOM 39 CE2 PHE A 2 -10.398 -22.560 -27.981 1.00 5.47 C ATOM 40 HE2 PHE A 2 -10.665 -22.994 -28.935 1.00 5.47 H ATOM 41 CZ PHE A 2 -10.634 -23.277 -26.788 1.00 5.47 C ATOM 42 HZ PHE A 2 -11.080 -24.261 -26.824 1.00 5.47 H ATOM 43 N HIS A 3 -5.886 -19.837 -28.393 1.00 5.00 N ATOM 44 H HIS A 3 -5.840 -18.838 -28.464 1.00 5.00 H ATOM 45 CA HIS A 3 -5.129 -20.644 -29.352 1.00 5.00 C ATOM 46 HA HIS A 3 -5.824 -21.237 -29.950 1.00 5.00 H ATOM 47 C HIS A 3 -4.162 -21.630 -28.680 1.00 5.00 C ATOM 48 O HIS A 3 -4.049 -22.772 -29.107 1.00 5.00 O ATOM 49 CB HIS A 3 -4.356 -19.704 -30.284 1.00 5.00 C ATOM 50 1HB HIS A 3 -3.580 -20.272 -30.798 1.00 5.00 H ATOM 51 2HB HIS A 3 -5.048 -19.317 -31.032 1.00 5.00 H ATOM 52 CG HIS A 3 -3.740 -18.536 -29.577 1.00 5.00 C ATOM 53 ND1 HIS A 3 -2.541 -18.569 -28.904 1.00 5.00 N ATOM 54 HD1 HIS A 3 -1.904 -19.361 -28.834 1.00 5.00 H ATOM 55 CD2 HIS A 3 -4.189 -17.261 -29.426 1.00 5.00 C ATOM 56 HD2 HIS A 3 -5.093 -16.868 -29.872 1.00 5.00 H ATOM 57 CE1 HIS A 3 -2.342 -17.376 -28.347 1.00 5.00 C ATOM 58 HE1 HIS A 3 -1.472 -17.116 -27.755 1.00 5.00 H ATOM 59 NE2 HIS A 3 -3.343 -16.557 -28.599 1.00 5.00 N ATOM 60 N HIS A 4 -3.494 -21.231 -27.605 1.00 -9.60 N ATOM 61 H HIS A 4 -3.626 -20.295 -27.242 1.00 -9.60 H ATOM 62 CA HIS A 4 -2.570 -22.141 -26.924 1.00 -9.60 C ATOM 63 HA HIS A 4 -1.967 -22.668 -27.662 1.00 -9.60 H ATOM 64 C HIS A 4 -3.336 -23.181 -26.115 1.00 -9.60 C ATOM 65 O HIS A 4 -2.927 -24.332 -26.020 1.00 -9.60 O ATOM 66 CB HIS A 4 -1.637 -21.378 -25.981 1.00 -9.60 C ATOM 67 1HB HIS A 4 -2.234 -20.795 -25.280 1.00 -9.60 H ATOM 68 2HB HIS A 4 -1.060 -22.109 -25.413 1.00 -9.60 H ATOM 69 CG HIS A 4 -0.671 -20.467 -26.675 1.00 -9.60 C ATOM 70 ND1 HIS A 4 -0.347 -20.579 -28.017 1.00 -9.60 N ATOM 71 CD2 HIS A 4 0.058 -19.430 -26.175 1.00 -9.60 C ATOM 72 HD2 HIS A 4 0.012 -19.094 -25.147 1.00 -9.60 H ATOM 73 CE1 HIS A 4 0.619 -19.635 -28.243 1.00 -9.60 C ATOM 74 HE1 HIS A 4 1.113 -19.489 -29.194 1.00 -9.60 H ATOM 75 NE2 HIS A 4 0.878 -18.897 -27.137 1.00 -9.60 N ATOM 76 HE2 HIS A 4 1.547 -18.142 -27.038 1.00 -9.60 H ATOM 77 N ILE A 5 -4.467 -22.772 -25.561 1.00-10.25 N ATOM 78 H ILE A 5 -4.775 -21.826 -25.708 1.00-10.25 H ATOM 79 CA ILE A 5 -5.300 -23.659 -24.746 1.00-10.25 C ATOM 80 HA ILE A 5 -4.677 -24.132 -23.986 1.00-10.25 H ATOM 81 C ILE A 5 -5.859 -24.744 -25.662 1.00-10.25 C ATOM 82 O ILE A 5 -5.847 -25.921 -25.329 1.00-10.25 O ATOM 83 CB ILE A 5 -6.457 -22.877 -24.043 1.00-10.25 C ATOM 84 HB ILE A 5 -7.084 -22.424 -24.809 1.00-10.25 H ATOM 85 CG1 ILE A 5 -5.867 -21.747 -23.169 1.00-10.25 C ATOM 86 1HG1 ILE A 5 -5.272 -22.202 -22.376 1.00-10.25 H ATOM 87 2HG1 ILE A 5 -5.201 -21.137 -23.776 1.00-10.25 H ATOM 88 CG2 ILE A 5 -7.337 -23.832 -23.199 1.00-10.25 C ATOM 89 1HG2 ILE A 5 -8.174 -23.293 -22.755 1.00-10.25 H ATOM 90 2HG2 ILE A 5 -6.745 -24.291 -22.404 1.00-10.25 H ATOM 91 3HG2 ILE A 5 -7.749 -24.623 -23.828 1.00-10.25 H ATOM 92 CD1 ILE A 5 -6.885 -20.794 -22.516 1.00-10.25 C ATOM 93 1HD1 ILE A 5 -6.352 -19.977 -22.029 1.00-10.25 H ATOM 94 2HD1 ILE A 5 -7.467 -21.325 -21.761 1.00-10.25 H ATOM 95 3HD1 ILE A 5 -7.557 -20.385 -23.269 1.00-10.25 H ATOM 96 N PHE A 6 -6.279 -24.357 -26.855 1.00 -9.90 N ATOM 97 H PHE A 6 -6.279 -23.368 -27.086 1.00 -9.90 H ATOM 98 CA PHE A 6 -6.780 -25.299 -27.846 1.00 -9.90 C ATOM 99 HA PHE A 6 -7.608 -25.857 -27.412 1.00 -9.90 H ATOM 100 C PHE A 6 -5.715 -26.302 -28.271 1.00 -9.90 C ATOM 101 O PHE A 6 -5.996 -27.487 -28.402 1.00 -9.90 O ATOM 102 CB PHE A 6 -7.293 -24.536 -29.065 1.00 -9.90 C ATOM 103 1HB PHE A 6 -8.006 -23.787 -28.727 1.00 -9.90 H ATOM 104 2HB PHE A 6 -6.461 -24.023 -29.545 1.00 -9.90 H ATOM 105 CG PHE A 6 -7.969 -25.416 -30.074 1.00 -9.90 C ATOM 106 CD1 PHE A 6 -9.292 -25.842 -29.865 1.00 -9.90 C ATOM 107 HD1 PHE A 6 -9.828 -25.524 -28.982 1.00 -9.90 H ATOM 108 CD2 PHE A 6 -7.282 -25.843 -31.224 1.00 -9.90 C ATOM 109 HD2 PHE A 6 -6.262 -25.530 -31.391 1.00 -9.90 H ATOM 110 CE1 PHE A 6 -9.933 -26.696 -30.795 1.00 -9.90 C ATOM 111 HE1 PHE A 6 -10.949 -27.020 -30.623 1.00 -9.90 H ATOM 112 CE2 PHE A 6 -7.911 -26.693 -32.168 1.00 -9.90 C ATOM 113 HE2 PHE A 6 -7.375 -27.016 -33.049 1.00 -9.90 H ATOM 114 CZ PHE A 6 -9.239 -27.125 -31.949 1.00 -9.90 C ATOM 115 HZ PHE A 6 -9.723 -27.776 -32.663 1.00 -9.90 H ATOM 116 N ARG A 7 -4.470 -25.867 -28.413 1.00-12.20 N ATOM 117 H ARG A 7 -4.270 -24.880 -28.297 1.00-12.20 H ATOM 118 CA ARG A 7 -3.379 -26.804 -28.713 1.00-12.20 C ATOM 119 HA ARG A 7 -3.639 -27.384 -29.598 1.00-12.20 H ATOM 120 C ARG A 7 -3.196 -27.796 -27.570 1.00-12.20 C ATOM 121 O ARG A 7 -2.928 -28.968 -27.814 1.00-12.20 O ATOM 122 CB ARG A 7 -2.070 -26.054 -28.967 1.00-12.20 C ATOM 123 1HB ARG A 7 -1.879 -25.395 -28.122 1.00-12.20 H ATOM 124 2HB ARG A 7 -1.256 -26.777 -29.027 1.00-12.20 H ATOM 125 CG ARG A 7 -2.076 -25.231 -30.245 1.00-12.20 C ATOM 126 1HG ARG A 7 -1.996 -25.898 -31.104 1.00-12.20 H ATOM 127 2HG ARG A 7 -3.009 -24.681 -30.321 1.00-12.20 H ATOM 128 CD ARG A 7 -0.924 -24.241 -30.259 1.00-12.20 C ATOM 129 1HD ARG A 7 -0.981 -23.622 -29.363 1.00-12.20 H ATOM 130 2HD ARG A 7 0.018 -24.790 -30.253 1.00-12.20 H ATOM 131 NE ARG A 7 -0.985 -23.376 -31.446 1.00-12.20 N ATOM 132 HE ARG A 7 -1.751 -23.545 -32.078 1.00-12.20 H ATOM 133 CZ ARG A 7 -0.133 -22.410 -31.760 1.00-12.20 C ATOM 134 NH1 ARG A 7 -0.305 -21.760 -32.878 1.00-12.20 N ATOM 135 1HH1 ARG A 7 -1.069 -21.995 -33.489 1.00-12.20 H ATOM 136 2HH1 ARG A 7 0.334 -21.030 -33.142 1.00-12.20 H ATOM 137 NH2 ARG A 7 0.886 -22.070 -31.011 1.00-12.20 N ATOM 138 1HH2 ARG A 7 1.020 -22.528 -30.123 1.00-12.20 H ATOM 139 2HH2 ARG A 7 1.529 -21.362 -31.316 1.00-12.20 H ATOM 140 N GLY A 8 -3.413 -27.355 -26.341 1.00 -2.93 N ATOM 141 H GLY A 8 -3.601 -26.371 -26.182 1.00 -2.93 H ATOM 142 CA GLY A 8 -3.413 -28.264 -25.206 1.00 -2.93 C ATOM 143 1HA GLY A 8 -2.478 -28.823 -25.198 1.00 -2.93 H ATOM 144 2HA GLY A 8 -3.483 -27.685 -24.285 1.00 -2.93 H ATOM 145 C GLY A 8 -4.566 -29.251 -25.246 1.00 -2.93 C ATOM 146 O GLY A 8 -4.370 -30.425 -24.964 1.00 -2.93 O ATOM 147 N ILE A 9 -5.754 -28.821 -25.645 1.00-25.85 N ATOM 148 H ILE A 9 -5.877 -27.834 -25.861 1.00-25.85 H ATOM 149 CA ILE A 9 -6.907 -29.723 -25.768 1.00-25.85 C ATOM 150 HA ILE A 9 -7.043 -30.250 -24.824 1.00-25.85 H ATOM 151 C ILE A 9 -6.611 -30.771 -26.846 1.00-25.85 C ATOM 152 O ILE A 9 -6.866 -31.959 -26.654 1.00-25.85 O ATOM 153 CB ILE A 9 -8.224 -28.941 -26.103 1.00-25.85 C ATOM 154 HB ILE A 9 -8.057 -28.358 -27.007 1.00-25.85 H ATOM 155 CG1 ILE A 9 -8.578 -27.978 -24.949 1.00-25.85 C ATOM 156 1HG1 ILE A 9 -8.923 -28.569 -24.101 1.00-25.85 H ATOM 157 2HG1 ILE A 9 -7.683 -27.453 -24.634 1.00-25.85 H ATOM 158 CG2 ILE A 9 -9.412 -29.908 -26.357 1.00-25.85 C ATOM 159 1HG2 ILE A 9 -10.317 -29.347 -26.589 1.00-25.85 H ATOM 160 2HG2 ILE A 9 -9.590 -30.530 -25.478 1.00-25.85 H ATOM 161 3HG2 ILE A 9 -9.196 -30.554 -27.209 1.00-25.85 H ATOM 162 CD1 ILE A 9 -9.645 -26.913 -25.271 1.00-25.85 C ATOM 163 1HD1 ILE A 9 -9.742 -26.236 -24.423 1.00-25.85 H ATOM 164 2HD1 ILE A 9 -10.609 -27.387 -25.454 1.00-25.85 H ATOM 165 3HD1 ILE A 9 -9.348 -26.341 -26.149 1.00-25.85 H ATOM 166 N VAL A 10 -6.020 -30.361 -27.960 1.00 -3.13 N ATOM 167 H VAL A 10 -5.844 -29.366 -28.095 1.00 -3.13 H ATOM 168 CA VAL A 10 -5.630 -31.304 -29.012 1.00 -3.13 C ATOM 169 HA VAL A 10 -6.500 -31.902 -29.281 1.00 -3.13 H ATOM 170 C VAL A 10 -4.563 -32.266 -28.485 1.00 -3.13 C ATOM 171 O VAL A 10 -4.616 -33.463 -28.771 1.00 -3.13 O ATOM 172 CB VAL A 10 -5.138 -30.550 -30.288 1.00 -3.13 C ATOM 173 HB VAL A 10 -4.341 -29.865 -30.005 1.00 -3.13 H ATOM 174 CG1 VAL A 10 -4.590 -31.513 -31.358 1.00 -3.13 C ATOM 175 1HG1 VAL A 10 -4.321 -30.950 -32.252 1.00 -3.13 H ATOM 176 2HG1 VAL A 10 -5.347 -32.258 -31.610 1.00 -3.13 H ATOM 177 3HG1 VAL A 10 -3.700 -32.012 -30.978 1.00 -3.13 H ATOM 178 CG2 VAL A 10 -6.290 -29.741 -30.908 1.00 -3.13 C ATOM 179 1HG2 VAL A 10 -5.927 -29.173 -31.764 1.00 -3.13 H ATOM 180 2HG2 VAL A 10 -6.699 -29.036 -30.186 1.00 -3.13 H ATOM 181 3HG2 VAL A 10 -7.091 -30.407 -31.232 1.00 -3.13 H ATOM 182 N HIS A 11 -3.621 -31.790 -27.684 1.00 -7.18 N ATOM 183 H HIS A 11 -3.589 -30.795 -27.474 1.00 -7.18 H ATOM 184 CA HIS A 11 -2.615 -32.672 -27.093 1.00 -7.18 C ATOM 185 HA HIS A 11 -2.107 -33.205 -27.895 1.00 -7.18 H ATOM 186 C HIS A 11 -3.262 -33.711 -26.176 1.00 -7.18 C ATOM 187 O HIS A 11 -2.964 -34.897 -26.289 1.00 -7.18 O ATOM 188 CB HIS A 11 -1.578 -31.861 -26.310 1.00 -7.18 C ATOM 189 1HB HIS A 11 -1.172 -31.086 -26.959 1.00 -7.18 H ATOM 190 2HB HIS A 11 -2.069 -31.377 -25.469 1.00 -7.18 H ATOM 191 CG HIS A 11 -0.448 -32.685 -25.777 1.00 -7.18 C ATOM 192 ND1 HIS A 11 0.791 -32.777 -26.367 1.00 -7.18 N ATOM 193 HD1 HIS A 11 1.091 -32.294 -27.198 1.00 -7.18 H ATOM 194 CD2 HIS A 11 -0.368 -33.469 -24.668 1.00 -7.18 C ATOM 195 HD2 HIS A 11 -1.171 -33.621 -23.960 1.00 -7.18 H ATOM 196 CE1 HIS A 11 1.540 -33.601 -25.630 1.00 -7.18 C ATOM 197 HE1 HIS A 11 2.567 -33.860 -25.852 1.00 -7.18 H ATOM 198 NE2 HIS A 11 0.877 -34.049 -24.585 1.00 -7.18 N ATOM 199 N VAL A 12 -4.178 -33.299 -25.311 1.00-20.09 N ATOM 200 H VAL A 12 -4.400 -32.306 -25.244 1.00-20.09 H ATOM 201 CA VAL A 12 -4.872 -34.240 -24.427 1.00-20.09 C ATOM 202 HA VAL A 12 -4.127 -34.813 -23.876 1.00-20.09 H ATOM 203 C VAL A 12 -5.682 -35.225 -25.267 1.00-20.09 C ATOM 204 O VAL A 12 -5.634 -36.427 -25.020 1.00-20.09 O ATOM 205 CB VAL A 12 -5.777 -33.501 -23.395 1.00-20.09 C ATOM 206 HB VAL A 12 -6.461 -32.846 -23.934 1.00-20.09 H ATOM 207 CG1 VAL A 12 -6.606 -34.484 -22.553 1.00-20.09 C ATOM 208 1HG1 VAL A 12 -7.169 -33.939 -21.795 1.00-20.09 H ATOM 209 2HG1 VAL A 12 -5.952 -35.210 -22.065 1.00-20.09 H ATOM 210 3HG1 VAL A 12 -7.314 -35.012 -23.190 1.00-20.09 H ATOM 211 CG2 VAL A 12 -4.916 -32.650 -22.445 1.00-20.09 C ATOM 212 1HG2 VAL A 12 -5.560 -32.103 -21.756 1.00-20.09 H ATOM 213 2HG2 VAL A 12 -4.327 -31.927 -23.005 1.00-20.09 H ATOM 214 3HG2 VAL A 12 -4.241 -33.289 -21.874 1.00-20.09 H ATOM 215 N GLY A 13 -6.346 -34.760 -26.316 1.00-10.50 N ATOM 216 H GLY A 13 -6.362 -33.758 -26.504 1.00-10.50 H ATOM 217 CA GLY A 13 -7.066 -35.662 -27.201 1.00-10.50 C ATOM 218 1HA GLY A 13 -7.840 -36.179 -26.635 1.00-10.50 H ATOM 219 2HA GLY A 13 -7.534 -35.081 -27.995 1.00-10.50 H ATOM 220 C GLY A 13 -6.156 -36.706 -27.823 1.00-10.50 C ATOM 221 O GLY A 13 -6.499 -37.885 -27.894 1.00-10.50 O ATOM 222 N ARG A 14 -4.951 -36.313 -28.213 1.00-25.00 N ATOM 223 H ARG A 14 -4.701 -35.327 -28.135 1.00-25.00 H ATOM 224 CA ARG A 14 -3.972 -37.270 -28.732 1.00-25.00 C ATOM 225 HA ARG A 14 -4.460 -37.891 -29.484 1.00-25.00 H ATOM 226 C ARG A 14 -3.460 -38.222 -27.659 1.00-25.00 C ATOM 227 O ARG A 14 -3.234 -39.384 -27.963 1.00-25.00 O ATOM 228 CB ARG A 14 -2.797 -36.546 -29.392 1.00-25.00 C ATOM 229 1HB ARG A 14 -2.394 -35.815 -28.693 1.00-25.00 H ATOM 230 2HB ARG A 14 -2.019 -37.276 -29.617 1.00-25.00 H ATOM 231 CG ARG A 14 -3.184 -35.845 -30.687 1.00-25.00 C ATOM 232 1HG ARG A 14 -3.497 -36.593 -31.415 1.00-25.00 H ATOM 233 2HG ARG A 14 -4.017 -35.171 -30.504 1.00-25.00 H ATOM 234 CD ARG A 14 -2.028 -35.043 -31.255 1.00-25.00 C ATOM 235 1HD ARG A 14 -1.696 -34.321 -30.507 1.00-25.00 H ATOM 236 2HD ARG A 14 -1.207 -35.722 -31.490 1.00-25.00 H ATOM 237 NE ARG A 14 -2.442 -34.328 -32.474 1.00-25.00 N ATOM 238 HE ARG A 14 -3.404 -34.442 -32.748 1.00-25.00 H ATOM 239 CZ ARG A 14 -1.679 -33.549 -33.230 1.00-25.00 C ATOM 240 NH1 ARG A 14 -2.210 -32.976 -34.275 1.00-25.00 N ATOM 241 1HH1 ARG A 14 -3.183 -33.115 -34.492 1.00-25.00 H ATOM 242 2HH1 ARG A 14 -1.646 -32.397 -34.874 1.00-25.00 H ATOM 243 NH2 ARG A 14 -0.411 -33.326 -32.993 1.00-25.00 N ATOM 244 1HH2 ARG A 14 0.027 -33.758 -32.197 1.00-25.00 H ATOM 245 2HH2 ARG A 14 0.125 -32.733 -33.603 1.00-25.00 H ATOM 246 N THR A 15 -3.317 -37.799 -26.411 1.00 -3.24 N ATOM 247 H THR A 15 -3.460 -36.818 -26.182 1.00 -3.24 H ATOM 248 CA THR A 15 -2.924 -38.752 -25.368 1.00 -3.24 C ATOM 249 HA THR A 15 -2.072 -39.319 -25.743 1.00 -3.24 H ATOM 250 C THR A 15 -4.038 -39.756 -25.081 1.00 -3.24 C ATOM 251 O THR A 15 -3.757 -40.923 -24.830 1.00 -3.24 O ATOM 252 CB THR A 15 -2.492 -38.096 -24.033 1.00 -3.24 C ATOM 253 HB THR A 15 -2.216 -38.885 -23.333 1.00 -3.24 H ATOM 254 OG1 THR A 15 -3.557 -37.333 -23.462 1.00 -3.24 O ATOM 255 HG1 THR A 15 -4.121 -36.981 -24.162 1.00 -3.24 H ATOM 256 CG2 THR A 15 -1.297 -37.178 -24.212 1.00 -3.24 C ATOM 257 1HG2 THR A 15 -1.011 -36.773 -23.241 1.00 -3.24 H ATOM 258 2HG2 THR A 15 -1.541 -36.350 -24.872 1.00 -3.24 H ATOM 259 3HG2 THR A 15 -0.455 -37.734 -24.624 1.00 -3.24 H ATOM 260 N ILE A 16 -5.296 -39.346 -25.181 1.00-20.83 N ATOM 261 H ILE A 16 -5.495 -38.362 -25.346 1.00-20.83 H ATOM 262 CA ILE A 16 -6.418 -40.276 -25.027 1.00-20.83 C ATOM 263 HA ILE A 16 -6.275 -40.857 -24.117 1.00-20.83 H ATOM 264 C ILE A 16 -6.408 -41.242 -26.211 1.00-20.83 C ATOM 265 O ILE A 16 -6.577 -42.444 -26.039 1.00-20.83 O ATOM 266 CB ILE A 16 -7.783 -39.528 -24.927 1.00-20.83 C ATOM 267 HB ILE A 16 -7.889 -38.883 -25.799 1.00-20.83 H ATOM 268 CG1 ILE A 16 -7.807 -38.656 -23.654 1.00-20.83 C ATOM 269 1HG1 ILE A 16 -7.889 -39.312 -22.788 1.00-20.83 H ATOM 270 2HG1 ILE A 16 -6.866 -38.119 -23.567 1.00-20.83 H ATOM 271 CG2 ILE A 16 -8.975 -40.526 -24.901 1.00-20.83 C ATOM 272 1HG2 ILE A 16 -9.920 -39.986 -24.842 1.00-20.83 H ATOM 273 2HG2 ILE A 16 -8.890 -41.195 -24.043 1.00-20.83 H ATOM 274 3HG2 ILE A 16 -8.989 -41.122 -25.814 1.00-20.83 H ATOM 275 CD1 ILE A 16 -8.935 -37.616 -23.590 1.00-20.83 C ATOM 276 1HD1 ILE A 16 -8.816 -37.014 -22.689 1.00-20.83 H ATOM 277 2HD1 ILE A 16 -9.907 -38.108 -23.556 1.00-20.83 H ATOM 278 3HD1 ILE A 16 -8.887 -36.962 -24.462 1.00-20.83 H ATOM 279 N HIS A 17 -6.141 -40.748 -27.411 1.00-11.72 N ATOM 280 H HIS A 17 -6.028 -39.744 -27.530 1.00-11.72 H ATOM 281 CA HIS A 17 -6.027 -41.621 -28.579 1.00-11.72 C ATOM 282 HA HIS A 17 -6.957 -42.179 -28.688 1.00-11.72 H ATOM 283 C HIS A 17 -4.889 -42.632 -28.411 1.00-11.72 C ATOM 284 O HIS A 17 -5.035 -43.799 -28.751 1.00-11.72 O ATOM 285 CB HIS A 17 -5.810 -40.781 -29.838 1.00-11.72 C ATOM 286 1HB HIS A 17 -6.541 -39.973 -29.847 1.00-11.72 H ATOM 287 2HB HIS A 17 -4.813 -40.344 -29.807 1.00-11.72 H ATOM 288 CG HIS A 17 -5.951 -41.558 -31.109 1.00-11.72 C ATOM 289 ND1 HIS A 17 -7.143 -41.761 -31.763 1.00-11.72 N ATOM 290 HD1 HIS A 17 -8.048 -41.430 -31.468 1.00-11.72 H ATOM 291 CD2 HIS A 17 -5.018 -42.192 -31.870 1.00-11.72 C ATOM 292 HD2 HIS A 17 -3.963 -42.243 -31.641 1.00-11.72 H ATOM 293 CE1 HIS A 17 -6.895 -42.477 -32.863 1.00-11.72 C ATOM 294 HE1 HIS A 17 -7.649 -42.792 -33.572 1.00-11.72 H ATOM 295 NE2 HIS A 17 -5.612 -42.751 -32.979 1.00-11.72 N ATOM 296 N ARG A 18 -3.785 -42.208 -27.809 1.00 -6.79 N ATOM 297 H ARG A 18 -3.696 -41.223 -27.579 1.00 -6.79 H ATOM 298 CA ARG A 18 -2.669 -43.106 -27.499 1.00 -6.79 C ATOM 299 HA ARG A 18 -2.342 -43.571 -28.428 1.00 -6.79 H ATOM 300 C ARG A 18 -3.050 -44.228 -26.529 1.00 -6.79 C ATOM 301 O ARG A 18 -2.490 -45.316 -26.556 1.00 -6.79 O ATOM 302 CB ARG A 18 -1.500 -42.288 -26.941 1.00 -6.79 C ATOM 303 1HB ARG A 18 -1.408 -41.376 -27.530 1.00 -6.79 H ATOM 304 2HB ARG A 18 -1.728 -42.005 -25.917 1.00 -6.79 H ATOM 305 CG ARG A 18 -0.152 -42.996 -26.977 1.00 -6.79 C ATOM 306 1HG ARG A 18 -0.285 -44.015 -27.336 1.00 -6.79 H ATOM 307 2HG ARG A 18 0.503 -42.470 -27.672 1.00 -6.79 H ATOM 308 CD ARG A 18 0.508 -43.036 -25.601 1.00 -6.79 C ATOM 309 1HD ARG A 18 1.538 -43.375 -25.718 1.00 -6.79 H ATOM 310 2HD ARG A 18 0.519 -42.029 -25.182 1.00 -6.79 H ATOM 311 NE ARG A 18 -0.206 -43.944 -24.687 1.00 -6.79 N ATOM 312 HE ARG A 18 -0.935 -43.537 -24.130 1.00 -6.79 H ATOM 313 CZ ARG A 18 0.001 -45.251 -24.573 1.00 -6.79 C ATOM 314 NH1 ARG A 18 -0.765 -45.964 -23.798 1.00 -6.79 N ATOM 315 1HH1 ARG A 18 -1.501 -45.540 -23.273 1.00 -6.79 H ATOM 316 2HH1 ARG A 18 -0.629 -46.963 -23.779 1.00 -6.79 H ATOM 317 NH2 ARG A 18 0.934 -45.894 -25.206 1.00 -6.79 N ATOM 318 1HH2 ARG A 18 1.516 -45.418 -25.897 1.00 -6.79 H ATOM 319 2HH2 ARG A 18 1.013 -46.900 -25.110 1.00 -6.79 H ATOM 320 N LEU A 19 -4.031 -43.999 -25.667 1.00-18.49 N ATOM 321 H LEU A 19 -4.482 -43.093 -25.643 1.00-18.49 H ATOM 322 CA LEU A 19 -4.499 -45.066 -24.778 1.00-18.49 C ATOM 323 HA LEU A 19 -3.642 -45.531 -24.294 1.00-18.49 H ATOM 324 C LEU A 19 -5.221 -46.140 -25.585 1.00-18.49 C ATOM 325 O LEU A 19 -5.165 -47.312 -25.239 1.00-18.49 O ATOM 326 CB LEU A 19 -5.461 -44.543 -23.703 1.00-18.49 C ATOM 327 1HB LEU A 19 -6.335 -44.141 -24.209 1.00-18.49 H ATOM 328 2HB LEU A 19 -5.797 -45.403 -23.123 1.00-18.49 H ATOM 329 CG LEU A 19 -4.968 -43.481 -22.710 1.00-18.49 C ATOM 330 HG LEU A 19 -4.595 -42.632 -23.269 1.00-18.49 H ATOM 331 CD1 LEU A 19 -6.132 -42.999 -21.849 1.00-18.49 C ATOM 332 1HD1 LEU A 19 -5.794 -42.202 -21.186 1.00-18.49 H ATOM 333 2HD1 LEU A 19 -6.530 -43.821 -21.253 1.00-18.49 H ATOM 334 3HD1 LEU A 19 -6.922 -42.603 -22.489 1.00-18.49 H ATOM 335 CD2 LEU A 19 -3.839 -43.994 -21.814 1.00-18.49 C ATOM 336 1HD2 LEU A 19 -3.555 -43.215 -21.105 1.00-18.49 H ATOM 337 2HD2 LEU A 19 -2.974 -44.242 -22.421 1.00-18.49 H ATOM 338 3HD2 LEU A 19 -4.169 -44.877 -21.264 1.00-18.49 H ATOM 339 N VAL A 20 -5.883 -45.736 -26.660 1.00-23.03 N ATOM 340 H VAL A 20 -5.868 -44.757 -26.916 1.00-23.03 H ATOM 341 CA VAL A 20 -6.634 -46.661 -27.511 1.00-23.03 C ATOM 342 HA VAL A 20 -7.158 -47.373 -26.873 1.00-23.03 H ATOM 343 C VAL A 20 -5.678 -47.446 -28.410 1.00-23.03 C ATOM 344 O VAL A 20 -5.867 -48.639 -28.631 1.00-23.03 O ATOM 345 CB VAL A 20 -7.688 -45.895 -28.375 1.00-23.03 C ATOM 346 HB VAL A 20 -7.169 -45.209 -29.039 1.00-23.03 H ATOM 347 CG1 VAL A 20 -8.533 -46.850 -29.234 1.00-23.03 C ATOM 348 1HG1 VAL A 20 -9.272 -46.285 -29.800 1.00-23.03 H ATOM 349 2HG1 VAL A 20 -9.039 -47.580 -28.599 1.00-23.03 H ATOM 350 3HG1 VAL A 20 -7.890 -47.380 -29.938 1.00-23.03 H ATOM 351 CG2 VAL A 20 -8.628 -45.070 -27.473 1.00-23.03 C ATOM 352 1HG2 VAL A 20 -9.383 -44.575 -28.082 1.00-23.03 H ATOM 353 2HG2 VAL A 20 -8.066 -44.305 -26.941 1.00-23.03 H ATOM 354 3HG2 VAL A 20 -9.121 -45.721 -26.749 1.00-23.03 H ATOM 355 N THR A 21 -4.628 -46.805 -28.907 1.00-14.77 N ATOM 356 H THR A 21 -4.495 -45.814 -28.730 1.00-14.77 H ATOM 357 CA THR A 21 -3.642 -47.501 -29.737 1.00-14.77 C ATOM 358 HA THR A 21 -4.161 -48.130 -30.459 1.00-14.77 H ATOM 359 C THR A 21 -2.737 -48.404 -28.906 1.00-14.77 C ATOM 360 O THR A 21 -2.102 -49.315 -29.434 1.00-14.77 O ATOM 361 CB THR A 21 -2.747 -46.503 -30.500 1.00-14.77 C ATOM 362 HB THR A 21 -1.960 -47.040 -31.029 1.00-14.77 H ATOM 363 OG1 THR A 21 -2.176 -45.578 -29.574 1.00-14.77 O ATOM 364 HG1 THR A 21 -1.221 -45.765 -29.477 1.00-14.77 H ATOM 365 CG2 THR A 21 -3.553 -45.679 -31.493 1.00-14.77 C ATOM 366 1HG2 THR A 21 -2.878 -45.014 -32.030 1.00-14.77 H ATOM 367 2HG2 THR A 21 -4.297 -45.078 -30.972 1.00-14.77 H ATOM 368 3HG2 THR A 21 -4.048 -46.337 -32.206 1.00-14.77 H ATOM 369 N GLY A 22 -2.659 -48.152 -27.607 1.00 -9.34 N ATOM 370 H GLY A 22 -3.142 -47.345 -27.236 1.00 -9.34 H ATOM 371 CA GLY A 22 -1.881 -48.977 -26.694 1.00 -9.34 C ATOM 372 1HA GLY A 22 -2.297 -48.875 -25.693 1.00 -9.34 H ATOM 373 2HA GLY A 22 -1.965 -50.020 -26.999 1.00 -9.34 H ATOM 374 C GLY A 22 -0.410 -48.608 -26.645 1.00 -9.34 C ATOM 375 O GLY A 22 0.201 -48.635 -25.568 1.00 -9.34 O ATOM 376 N GLY A 23 0.132 -48.215 -27.790 1.00 6.55 N ATOM 377 H GLY A 23 -0.449 -48.206 -28.620 1.00 6.55 H ATOM 378 CA GLY A 23 1.496 -47.726 -27.926 1.00 6.55 C ATOM 379 1HA GLY A 23 2.043 -47.832 -26.992 1.00 6.55 H ATOM 380 2HA GLY A 23 2.011 -48.259 -28.723 1.00 6.55 H ATOM 381 C GLY A 23 1.397 -46.263 -28.293 1.00 6.55 C ATOM 382 O GLY A 23 2.159 -45.438 -27.745 1.00 6.55 O ATOM 383 OXT GLY A 23 0.483 -45.936 -29.075 1.00 6.55 O TER 384 GLY A 23 END
SEQUENCE	FFHHIFRGIVHVGRTIHRLVTGG
HELICITY	39.10	INSTAB. INDEX	17.25	FLEXIBILITY	11.29
a HYD. MOM.	86.87	b HYD. MOM.	43.55	c HYD. MOM	10.10
a MEAN HYD. MOM.	3.78	b MEAN HYD. MOM.	1.89	c MEAN HYD. MOM.	0.44
CHARGE pH5	6.64	CHARGE pH7	3.36	CHARGE pH9	2.83
Δ CHARGE pH5-pH9	3.81	ISOELECTRIC POINT	12.30	BOMAN INDEX	1.05
ΔG	9	CPP	-0,27	MLP	4
MOLECULAR VOLUME		POLARITY
MIC E. coli	8	MIC P. aeruginosa		MIC S. typhimurium	15
MIC S. aureus	5	MIC M. luteus	15	MIC B. subtilis
MIC C. albicans	15	OTHER	Candida glabrata = 15; Candida lusitania = 15; Candida tropacalis = 15; N.crassa = 2.34; A.fumigatus = 75; F.oxysporum = 1.17; F.culmorum = 0.59
MIC OTHER gram+	E.faecalis VRE = 5.6; Listeria monocytogenes = 3.75; Staphylococcus saprophiticus = 7.5; Staphylococcus xylosus = 200; Streptococcus agalactiae = 1.9; Streptococcus bovis = 1.9; Streptococcus equisimilis = 2.5-5; Streptococcus mitis = 1.9; Streptococcus pneumonae = 1.9; Streptococcous pyrogenes = 1.9; S. iniae KST740 ak = 1.9; S.iniae KSTSi 6P = 1.9
MIC OTHER gram-	A. hydrophila = 200; Burkholderia cepacia = 200; Vibrio Cholerae = 3.75; Enterobacter cloacae = 15; Enterobacter aerogenes = 15; Klebsiella pneumonae = 3.75; Klebsiella oxytoca = 7.5; Salmonella cholerasuis = 15; Salmonella arizonae = 15; S. marcescens = 200; S.flexneri = 3.75; Shigella sonnei = 7.5; Yersinia enterocolitica = 3.75
PHYLUM	Chordata	CLASS	Actinopterygii	ORDER	Perciformes
FAMILY	Moronidae	GENUS	Morone	SPECIES	Morone saxatilis
DATE	2002
TITLE PAPER	Discovery and characterization of two isoforms of moronecidin, a novel antimicrobial peptide from hybrid striped bass.