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ID	1020	NAME	Rp 71955   Blast NCBI-PROT
LENGTH	21	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\CLGIGSCNDFAGCGYAVVCFW.pdb REMARK YASARA Written on: Wed May 14 12:18:04 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 283 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRICYCLIC PEPTIDE RP 71955; COMPND 3 CHAIN: A; SEQRES 1 A 21 CYS LEU GLY ILE GLY SER CYS ASN ASP PHE ALA GLY CYS SEQRES 2 A 21 GLY TYR ALA VAL VAL CYS PHE TRP 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 1 CYS A 13 2.04 SSBOND 3 CYS A 7 CYS A 19 2.03 ATOM 1 N CYS A 1 3.364 -12.680 38.776 1.00 -2.34 N ATOM 2 1H CYS A 1 3.787 -12.283 39.606 1.00 -2.34 H ATOM 3 2H CYS A 1 3.816 -13.559 38.569 1.00 -2.34 H ATOM 4 3H CYS A 1 3.477 -12.047 37.998 1.00 -2.34 H ATOM 5 CA CYS A 1 1.917 -12.912 39.028 1.00 -2.34 C ATOM 6 HA CYS A 1 1.815 -13.579 39.880 1.00 -2.34 H ATOM 7 C CYS A 1 1.286 -13.573 37.819 1.00 -2.34 C ATOM 8 O CYS A 1 1.266 -12.975 36.753 1.00 -2.34 O ATOM 9 CB CYS A 1 1.257 -11.569 39.363 1.00 -2.34 C ATOM 10 1HB CYS A 1 1.861 -11.077 40.127 1.00 -2.34 H ATOM 11 2HB CYS A 1 1.255 -10.937 38.475 1.00 -2.34 H ATOM 12 SG CYS A 1 -0.442 -11.688 39.996 1.00 -2.34 S ATOM 13 N LEU A 2 0.861 -14.827 37.942 1.00-10.96 N ATOM 14 H LEU A 2 0.932 -15.314 38.836 1.00-10.96 H ATOM 15 CA LEU A 2 0.322 -15.607 36.826 1.00-10.96 C ATOM 16 HA LEU A 2 0.088 -14.960 35.981 1.00-10.96 H ATOM 17 C LEU A 2 -0.939 -16.330 37.292 1.00-10.96 C ATOM 18 O LEU A 2 -1.115 -16.530 38.486 1.00-10.96 O ATOM 19 CB LEU A 2 1.347 -16.670 36.406 1.00-10.96 C ATOM 20 1HB LEU A 2 1.511 -17.309 37.272 1.00-10.96 H ATOM 21 2HB LEU A 2 0.893 -17.280 35.628 1.00-10.96 H ATOM 22 CG LEU A 2 2.730 -16.234 35.902 1.00-10.96 C ATOM 23 HG LEU A 2 3.182 -15.573 36.641 1.00-10.96 H ATOM 24 CD1 LEU A 2 3.625 -17.461 35.756 1.00-10.96 C ATOM 25 1HD1 LEU A 2 4.621 -17.153 35.435 1.00-10.96 H ATOM 26 2HD1 LEU A 2 3.211 -18.150 35.018 1.00-10.96 H ATOM 27 3HD1 LEU A 2 3.711 -17.971 36.716 1.00-10.96 H ATOM 28 CD2 LEU A 2 2.654 -15.492 34.571 1.00-10.96 C ATOM 29 1HD2 LEU A 2 3.657 -15.214 34.244 1.00-10.96 H ATOM 30 2HD2 LEU A 2 2.068 -14.578 34.684 1.00-10.96 H ATOM 31 3HD2 LEU A 2 2.195 -16.121 33.807 1.00-10.96 H ATOM 32 N GLY A 3 -1.775 -16.777 36.365 1.00 13.18 N ATOM 33 H GLY A 3 -1.598 -16.581 35.392 1.00 13.18 H ATOM 34 CA GLY A 3 -2.963 -17.553 36.707 1.00 13.18 C ATOM 35 1HA GLY A 3 -3.293 -17.292 37.713 1.00 13.18 H ATOM 36 2HA GLY A 3 -3.761 -17.292 36.011 1.00 13.18 H ATOM 37 C GLY A 3 -2.764 -19.058 36.643 1.00 13.18 C ATOM 38 O GLY A 3 -3.668 -19.789 36.259 1.00 13.18 O ATOM 39 N ILE A 4 -1.560 -19.524 36.944 1.00 45.83 N ATOM 40 H ILE A 4 -0.859 -18.891 37.284 1.00 45.83 H ATOM 41 CA ILE A 4 -1.233 -20.950 36.848 1.00 45.83 C ATOM 42 HA ILE A 4 -1.794 -21.381 36.019 1.00 45.83 H ATOM 43 C ILE A 4 -1.645 -21.693 38.120 1.00 45.83 C ATOM 44 O ILE A 4 -1.847 -21.081 39.156 1.00 45.83 O ATOM 45 CB ILE A 4 0.287 -21.159 36.565 1.00 45.83 C ATOM 46 HB ILE A 4 0.476 -22.231 36.509 1.00 45.83 H ATOM 47 CG1 ILE A 4 1.156 -20.572 37.698 1.00 45.83 C ATOM 48 1HG1 ILE A 4 1.053 -19.489 37.702 1.00 45.83 H ATOM 49 2HG1 ILE A 4 0.787 -20.945 38.651 1.00 45.83 H ATOM 50 CG2 ILE A 4 0.647 -20.543 35.188 1.00 45.83 C ATOM 51 1HG2 ILE A 4 1.667 -20.811 34.913 1.00 45.83 H ATOM 52 2HG2 ILE A 4 0.555 -19.460 35.212 1.00 45.83 H ATOM 53 3HG2 ILE A 4 -0.024 -20.937 34.422 1.00 45.83 H ATOM 54 CD1 ILE A 4 2.648 -20.914 37.617 1.00 45.83 C ATOM 55 1HD1 ILE A 4 3.149 -20.533 38.504 1.00 45.83 H ATOM 56 2HD1 ILE A 4 3.097 -20.461 36.735 1.00 45.83 H ATOM 57 3HD1 ILE A 4 2.779 -21.996 37.578 1.00 45.83 H ATOM 58 N GLY A 5 -1.739 -23.013 38.061 1.00 37.33 N ATOM 59 H GLY A 5 -1.582 -23.494 37.191 1.00 37.33 H ATOM 60 CA GLY A 5 -2.023 -23.802 39.251 1.00 37.33 C ATOM 61 1HA GLY A 5 -2.721 -23.267 39.896 1.00 37.33 H ATOM 62 2HA GLY A 5 -2.467 -24.753 38.956 1.00 37.33 H ATOM 63 C GLY A 5 -0.743 -24.083 40.014 1.00 37.33 C ATOM 64 O GLY A 5 -0.087 -25.081 39.734 1.00 37.33 O ATOM 65 N SER A 6 -0.360 -23.209 40.934 1.00 23.79 N ATOM 66 H SER A 6 -0.947 -22.410 41.150 1.00 23.79 H ATOM 67 CA SER A 6 0.903 -23.336 41.664 1.00 23.79 C ATOM 68 HA SER A 6 1.147 -24.388 41.808 1.00 23.79 H ATOM 69 C SER A 6 0.749 -22.656 43.021 1.00 23.79 C ATOM 70 O SER A 6 -0.344 -22.224 43.365 1.00 23.79 O ATOM 71 CB SER A 6 2.023 -22.665 40.865 1.00 23.79 C ATOM 72 1HB SER A 6 1.959 -22.993 39.828 1.00 23.79 H ATOM 73 2HB SER A 6 1.886 -21.584 40.902 1.00 23.79 H ATOM 74 OG SER A 6 3.310 -22.994 41.364 1.00 23.79 O ATOM 75 HG SER A 6 3.887 -22.219 41.239 1.00 23.79 H ATOM 76 N CYS A 7 1.839 -22.533 43.763 1.00 -1.05 N ATOM 77 H CYS A 7 2.706 -22.919 43.414 1.00 -1.05 H ATOM 78 CA CYS A 7 1.889 -21.747 44.995 1.00 -1.05 C ATOM 79 HA CYS A 7 1.019 -21.957 45.617 1.00 -1.05 H ATOM 80 C CYS A 7 1.885 -20.258 44.636 1.00 -1.05 C ATOM 81 O CYS A 7 1.966 -19.891 43.460 1.00 -1.05 O ATOM 82 CB CYS A 7 3.158 -22.114 45.757 1.00 -1.05 C ATOM 83 1HB CYS A 7 3.276 -21.451 46.617 1.00 -1.05 H ATOM 84 2HB CYS A 7 3.066 -23.139 46.116 1.00 -1.05 H ATOM 85 SG CYS A 7 4.628 -22.019 44.693 1.00 -1.05 S ATOM 86 N ASN A 8 1.726 -19.392 45.625 1.00 22.43 N ATOM 87 H ASN A 8 1.857 -19.677 46.590 1.00 22.43 H ATOM 88 CA ASN A 8 1.354 -18.007 45.365 1.00 22.43 C ATOM 89 HA ASN A 8 0.640 -18.005 44.548 1.00 22.43 H ATOM 90 C ASN A 8 2.492 -17.076 44.954 1.00 22.43 C ATOM 91 O ASN A 8 3.674 -17.299 45.196 1.00 22.43 O ATOM 92 CB ASN A 8 0.629 -17.432 46.582 1.00 22.43 C ATOM 93 1HB ASN A 8 1.136 -17.762 47.486 1.00 22.43 H ATOM 94 2HB ASN A 8 0.660 -16.346 46.543 1.00 22.43 H ATOM 95 CG ASN A 8 -0.813 -17.855 46.645 1.00 22.43 C ATOM 96 OD1 ASN A 8 -1.181 -18.765 47.363 1.00 22.43 O ATOM 97 ND2 ASN A 8 -1.648 -17.203 45.882 1.00 22.43 N ATOM 98 1HD2 ASN A 8 -2.623 -17.439 45.933 1.00 22.43 H ATOM 99 2HD2 ASN A 8 -1.317 -16.500 45.239 1.00 22.43 H ATOM 100 N ASP A 9 2.081 -16.003 44.300 1.00 62.33 N ATOM 101 H ASP A 9 1.091 -15.912 44.104 1.00 62.33 H ATOM 102 CA ASP A 9 2.951 -14.908 43.895 1.00 62.33 C ATOM 103 HA ASP A 9 3.940 -15.293 43.653 1.00 62.33 H ATOM 104 C ASP A 9 3.049 -13.909 45.047 1.00 62.33 C ATOM 105 O ASP A 9 2.442 -14.126 46.096 1.00 62.33 O ATOM 106 CB ASP A 9 2.355 -14.234 42.665 1.00 62.33 C ATOM 107 1HB ASP A 9 2.006 -15.005 41.981 1.00 62.33 H ATOM 108 2HB ASP A 9 1.500 -13.630 42.968 1.00 62.33 H ATOM 109 CG ASP A 9 3.354 -13.370 41.932 1.00 62.33 C ATOM 110 OD1 ASP A 9 4.179 -13.907 41.174 1.00 62.33 O ATOM 111 OD2 ASP A 9 3.257 -12.137 42.009 1.00 62.33 O ATOM 112 N PHE A 10 3.775 -12.814 44.866 1.00 -5.85 N ATOM 113 H PHE A 10 4.166 -12.608 43.956 1.00 -5.85 H ATOM 114 CA PHE A 10 4.008 -11.855 45.939 1.00 -5.85 C ATOM 115 HA PHE A 10 4.549 -12.356 46.742 1.00 -5.85 H ATOM 116 C PHE A 10 2.679 -11.341 46.476 1.00 -5.85 C ATOM 117 O PHE A 10 1.791 -10.971 45.703 1.00 -5.85 O ATOM 118 CB PHE A 10 4.828 -10.672 45.420 1.00 -5.85 C ATOM 119 1HB PHE A 10 4.238 -10.143 44.671 1.00 -5.85 H ATOM 120 2HB PHE A 10 5.018 -9.988 46.247 1.00 -5.85 H ATOM 121 CG PHE A 10 6.139 -11.065 44.797 1.00 -5.85 C ATOM 122 CD1 PHE A 10 6.261 -11.175 43.399 1.00 -5.85 C ATOM 123 HD1 PHE A 10 5.407 -10.976 42.766 1.00 -5.85 H ATOM 124 CD2 PHE A 10 7.266 -11.310 45.602 1.00 -5.85 C ATOM 125 HD2 PHE A 10 7.189 -11.229 46.677 1.00 -5.85 H ATOM 126 CE1 PHE A 10 7.493 -11.533 42.803 1.00 -5.85 C ATOM 127 HE1 PHE A 10 7.572 -11.620 41.730 1.00 -5.85 H ATOM 128 CE2 PHE A 10 8.506 -11.677 45.022 1.00 -5.85 C ATOM 129 HE2 PHE A 10 9.361 -11.878 45.651 1.00 -5.85 H ATOM 130 CZ PHE A 10 8.619 -11.788 43.618 1.00 -5.85 C ATOM 131 HZ PHE A 10 9.559 -12.076 43.171 1.00 -5.85 H ATOM 132 N ALA A 11 2.549 -11.379 47.797 1.00 20.58 N ATOM 133 H ALA A 11 3.308 -11.762 48.342 1.00 20.58 H ATOM 134 CA ALA A 11 1.349 -10.957 48.521 1.00 20.58 C ATOM 135 HA ALA A 11 1.488 -11.253 49.558 1.00 20.58 H ATOM 136 C ALA A 11 0.048 -11.632 48.053 1.00 20.58 C ATOM 137 O ALA A 11 -1.037 -11.094 48.250 1.00 20.58 O ATOM 138 CB ALA A 11 1.229 -9.420 48.501 1.00 20.58 C ATOM 139 1HB ALA A 11 2.154 -8.968 48.856 1.00 20.58 H ATOM 140 2HB ALA A 11 0.407 -9.111 49.149 1.00 20.58 H ATOM 141 3HB ALA A 11 1.022 -9.081 47.485 1.00 20.58 H ATOM 142 N GLY A 12 0.148 -12.796 47.424 1.00 2.18 N ATOM 143 H GLY A 12 1.061 -13.206 47.243 1.00 2.18 H ATOM 144 CA GLY A 12 -1.040 -13.497 46.970 1.00 2.18 C ATOM 145 1HA GLY A 12 -0.773 -14.535 46.778 1.00 2.18 H ATOM 146 2HA GLY A 12 -1.787 -13.478 47.763 1.00 2.18 H ATOM 147 C GLY A 12 -1.673 -12.929 45.715 1.00 2.18 C ATOM 148 O GLY A 12 -2.831 -13.223 45.447 1.00 2.18 O ATOM 149 N CYS A 13 -0.928 -12.147 44.937 1.00 4.88 N ATOM 150 H CYS A 13 0.020 -11.928 45.230 1.00 4.88 H ATOM 151 CA CYS A 13 -1.424 -11.545 43.687 1.00 4.88 C ATOM 152 HA CYS A 13 -2.168 -10.784 43.926 1.00 4.88 H ATOM 153 C CYS A 13 -2.069 -12.547 42.722 1.00 4.88 C ATOM 154 O CYS A 13 -2.966 -12.232 41.944 1.00 4.88 O ATOM 155 CB CYS A 13 -0.239 -10.877 42.965 1.00 4.88 C ATOM 156 1HB CYS A 13 0.149 -10.090 43.612 1.00 4.88 H ATOM 157 2HB CYS A 13 0.552 -11.615 42.838 1.00 4.88 H ATOM 158 SG CYS A 13 -0.592 -10.150 41.324 1.00 4.88 S ATOM 159 N GLY A 14 -1.552 -13.762 42.745 1.00 7.35 N ATOM 160 H GLY A 14 -0.872 -14.004 43.451 1.00 7.35 H ATOM 161 CA GLY A 14 -1.924 -14.787 41.795 1.00 7.35 C ATOM 162 1HA GLY A 14 -2.958 -15.106 41.930 1.00 7.35 H ATOM 163 2HA GLY A 14 -1.737 -14.457 40.774 1.00 7.35 H ATOM 164 C GLY A 14 -0.966 -15.876 42.195 1.00 7.35 C ATOM 165 O GLY A 14 -0.573 -15.905 43.364 1.00 7.35 O ATOM 166 N TYR A 15 -0.532 -16.696 41.256 1.00 11.65 N ATOM 167 H TYR A 15 -0.851 -16.579 40.297 1.00 11.65 H ATOM 168 CA TYR A 15 0.377 -17.801 41.525 1.00 11.65 C ATOM 169 HA TYR A 15 0.605 -17.839 42.583 1.00 11.65 H ATOM 170 C TYR A 15 1.683 -17.613 40.767 1.00 11.65 C ATOM 171 O TYR A 15 1.761 -16.753 39.881 1.00 11.65 O ATOM 172 CB TYR A 15 -0.337 -19.090 41.145 1.00 11.65 C ATOM 173 1HB TYR A 15 -0.511 -19.089 40.071 1.00 11.65 H ATOM 174 2HB TYR A 15 0.286 -19.945 41.403 1.00 11.65 H ATOM 175 CG TYR A 15 -1.667 -19.203 41.862 1.00 11.65 C ATOM 176 CD1 TYR A 15 -2.881 -18.956 41.184 1.00 11.65 C ATOM 177 HD1 TYR A 15 -2.867 -18.729 40.127 1.00 11.65 H ATOM 178 CD2 TYR A 15 -1.720 -19.517 43.234 1.00 11.65 C ATOM 179 HD2 TYR A 15 -0.807 -19.725 43.774 1.00 11.65 H ATOM 180 CE1 TYR A 15 -4.123 -19.010 41.872 1.00 11.65 C ATOM 181 HE1 TYR A 15 -5.043 -18.820 41.342 1.00 11.65 H ATOM 182 CE2 TYR A 15 -2.958 -19.581 43.921 1.00 11.65 C ATOM 183 HE2 TYR A 15 -2.984 -19.838 44.971 1.00 11.65 H ATOM 184 CZ TYR A 15 -4.145 -19.322 43.235 1.00 11.65 C ATOM 185 OH TYR A 15 -5.338 -19.375 43.909 1.00 11.65 O ATOM 186 HH TYR A 15 -6.089 -19.189 43.342 1.00 11.65 H ATOM 187 N ALA A 16 2.712 -18.362 41.134 1.00 33.70 N ATOM 188 H ALA A 16 2.589 -19.074 41.858 1.00 33.70 H ATOM 189 CA ALA A 16 4.053 -18.177 40.590 1.00 33.70 C ATOM 190 HA ALA A 16 3.980 -17.707 39.610 1.00 33.70 H ATOM 191 C ALA A 16 4.801 -19.499 40.427 1.00 33.70 C ATOM 192 O ALA A 16 4.448 -20.508 41.020 1.00 33.70 O ATOM 193 CB ALA A 16 4.820 -17.257 41.516 1.00 33.70 C ATOM 194 1HB ALA A 16 4.315 -16.302 41.577 1.00 33.70 H ATOM 195 2HB ALA A 16 5.833 -17.099 41.151 1.00 33.70 H ATOM 196 3HB ALA A 16 4.867 -17.694 42.518 1.00 33.70 H ATOM 197 N VAL A 17 5.836 -19.473 39.599 1.00 7.48 N ATOM 198 H VAL A 17 6.067 -18.612 39.134 1.00 7.48 H ATOM 199 CA VAL A 17 6.661 -20.653 39.319 1.00 7.48 C ATOM 200 HA VAL A 17 6.013 -21.510 39.131 1.00 7.48 H ATOM 201 C VAL A 17 7.550 -20.969 40.527 1.00 7.48 C ATOM 202 O VAL A 17 7.865 -22.120 40.817 1.00 7.48 O ATOM 203 CB VAL A 17 7.539 -20.395 38.054 1.00 7.48 C ATOM 204 HB VAL A 17 8.210 -19.562 38.264 1.00 7.48 H ATOM 205 CG1 VAL A 17 8.383 -21.619 37.671 1.00 7.48 C ATOM 206 1HG1 VAL A 17 8.957 -21.410 36.768 1.00 7.48 H ATOM 207 2HG1 VAL A 17 7.739 -22.483 37.497 1.00 7.48 H ATOM 208 3HG1 VAL A 17 9.081 -21.858 38.475 1.00 7.48 H ATOM 209 CG2 VAL A 17 6.649 -20.000 36.855 1.00 7.48 C ATOM 210 1HG2 VAL A 17 7.267 -19.889 35.962 1.00 7.48 H ATOM 211 2HG2 VAL A 17 6.152 -19.051 37.040 1.00 7.48 H ATOM 212 3HG2 VAL A 17 5.902 -20.774 36.673 1.00 7.48 H ATOM 213 N VAL A 18 7.922 -19.925 41.251 1.00-11.72 N ATOM 214 H VAL A 18 7.596 -19.004 41.011 1.00-11.72 H ATOM 215 CA VAL A 18 8.728 -20.033 42.463 1.00-11.72 C ATOM 216 HA VAL A 18 8.910 -21.075 42.720 1.00-11.72 H ATOM 217 C VAL A 18 7.819 -19.387 43.489 1.00-11.72 C ATOM 218 O VAL A 18 7.272 -18.327 43.215 1.00-11.72 O ATOM 219 CB VAL A 18 10.075 -19.265 42.334 1.00-11.72 C ATOM 220 HB VAL A 18 9.860 -18.228 42.078 1.00-11.72 H ATOM 221 CG1 VAL A 18 10.863 -19.288 43.652 1.00-11.72 C ATOM 222 1HG1 VAL A 18 11.805 -18.755 43.526 1.00-11.72 H ATOM 223 2HG1 VAL A 18 11.067 -20.315 43.955 1.00-11.72 H ATOM 224 3HG1 VAL A 18 10.290 -18.786 44.436 1.00-11.72 H ATOM 225 CG2 VAL A 18 10.932 -19.868 41.206 1.00-11.72 C ATOM 226 1HG2 VAL A 18 11.884 -19.340 41.145 1.00-11.72 H ATOM 227 2HG2 VAL A 18 10.417 -19.765 40.252 1.00-11.72 H ATOM 228 3HG2 VAL A 18 11.116 -20.926 41.400 1.00-11.72 H ATOM 229 N CYS A 19 7.597 -20.050 44.612 1.00 3.18 N ATOM 230 H CYS A 19 8.069 -20.918 44.792 1.00 3.18 H ATOM 231 CA CYS A 19 6.648 -19.557 45.600 1.00 3.18 C ATOM 232 HA CYS A 19 5.696 -19.360 45.106 1.00 3.18 H ATOM 233 C CYS A 19 7.154 -18.277 46.245 1.00 3.18 C ATOM 234 O CYS A 19 8.287 -18.232 46.725 1.00 3.18 O ATOM 235 CB CYS A 19 6.454 -20.621 46.680 1.00 3.18 C ATOM 236 1HB CYS A 19 7.354 -20.659 47.293 1.00 3.18 H ATOM 237 2HB CYS A 19 5.617 -20.329 47.318 1.00 3.18 H ATOM 238 SG CYS A 19 6.159 -22.284 45.995 1.00 3.18 S ATOM 239 N PHE A 20 6.314 -17.256 46.267 1.00 -0.06 N ATOM 240 H PHE A 20 5.410 -17.343 45.802 1.00 -0.06 H ATOM 241 CA PHE A 20 6.639 -16.001 46.934 1.00 -0.06 C ATOM 242 HA PHE A 20 7.656 -16.049 47.318 1.00 -0.06 H ATOM 243 C PHE A 20 5.705 -15.782 48.119 1.00 -0.06 C ATOM 244 O PHE A 20 5.916 -14.872 48.921 1.00 -0.06 O ATOM 245 CB PHE A 20 6.552 -14.844 45.944 1.00 -0.06 C ATOM 246 1HB PHE A 20 5.519 -14.743 45.633 1.00 -0.06 H ATOM 247 2HB PHE A 20 6.854 -13.930 46.453 1.00 -0.06 H ATOM 248 CG PHE A 20 7.408 -15.027 44.715 1.00 -0.06 C ATOM 249 CD1 PHE A 20 6.855 -14.848 43.434 1.00 -0.06 C ATOM 250 HD1 PHE A 20 5.822 -14.570 43.328 1.00 -0.06 H ATOM 251 CD2 PHE A 20 8.771 -15.366 44.825 1.00 -0.06 C ATOM 252 HD2 PHE A 20 9.217 -15.501 45.799 1.00 -0.06 H ATOM 253 CE1 PHE A 20 7.642 -15.016 42.270 1.00 -0.06 C ATOM 254 HE1 PHE A 20 7.199 -14.871 41.297 1.00 -0.06 H ATOM 255 CE2 PHE A 20 9.571 -15.544 43.669 1.00 -0.06 C ATOM 256 HE2 PHE A 20 10.609 -15.822 43.769 1.00 -0.06 H ATOM 257 CZ PHE A 20 9.003 -15.370 42.388 1.00 -0.06 C ATOM 258 HZ PHE A 20 9.607 -15.509 41.504 1.00 -0.06 H ATOM 259 N TRP A 21 4.716 -16.661 48.223 1.00-20.77 N ATOM 260 H TRP A 21 4.583 -17.354 47.492 1.00-20.77 H ATOM 261 CA TRP A 21 3.809 -16.831 49.356 1.00-20.77 C ATOM 262 HA TRP A 21 4.319 -16.733 50.312 1.00-20.77 H ATOM 263 C TRP A 21 3.400 -18.286 49.137 1.00-20.77 C ATOM 264 O TRP A 21 3.657 -18.763 48.003 1.00-20.77 O ATOM 265 OXT TRP A 21 2.859 -18.929 50.049 1.00-20.77 O ATOM 266 CB TRP A 21 2.576 -15.921 49.276 1.00-20.77 C ATOM 267 1HB TRP A 21 2.462 -15.573 48.252 1.00-20.77 H ATOM 268 2HB TRP A 21 1.704 -16.526 49.525 1.00-20.77 H ATOM 269 CG TRP A 21 2.582 -14.734 50.209 1.00-20.77 C ATOM 270 CD1 TRP A 21 3.656 -14.144 50.796 1.00-20.77 C ATOM 271 HD1 TRP A 21 4.677 -14.474 50.645 1.00-20.77 H ATOM 272 CD2 TRP A 21 1.440 -14.000 50.687 1.00-20.77 C ATOM 273 NE1 TRP A 21 3.287 -13.097 51.594 1.00-20.77 N ATOM 274 HE1 TRP A 21 3.933 -12.537 52.130 1.00-20.77 H ATOM 275 CE2 TRP A 21 1.927 -12.971 51.545 1.00-20.77 C ATOM 276 CE3 TRP A 21 0.050 -14.104 50.476 1.00-20.77 C ATOM 277 HE3 TRP A 21 -0.349 -14.888 49.849 1.00-20.77 H ATOM 278 CZ2 TRP A 21 1.071 -12.032 52.159 1.00-20.77 C ATOM 279 HZ2 TRP A 21 1.466 -11.256 52.796 1.00-20.77 H ATOM 280 CZ3 TRP A 21 -0.815 -13.157 51.086 1.00-20.77 C ATOM 281 HZ3 TRP A 21 -1.880 -13.214 50.911 1.00-20.77 H ATOM 282 CH2 TRP A 21 -0.288 -12.126 51.916 1.00-20.77 C ATOM 283 HH2 TRP A 21 -0.962 -11.410 52.365 1.00-20.77 H TER 284 TRP A 21 CONECT 12 9 158 CONECT 85 82 238 CONECT 158 12 155 CONECT 238 85 235 END
SEQUENCE	CLGIGSCNDFAGCGYAVVCFW
HELICITY	9.50	INSTAB. INDEX	33.82	FLEXIBILITY	18.40
a HYD. MOM.	28.98	b HYD. MOM.	6.39	c HYD. MOM	1.83
a MEAN HYD. MOM.	1.38	b MEAN HYD. MOM.	0.30	c MEAN HYD. MOM.	0.09
CHARGE pH5	-0.93	CHARGE pH7	-1.18	CHARGE pH9	-4.56
Δ CHARGE pH5-pH9	3.62	ISOELECTRIC POINT	3.80	BOMAN INDEX	-0.94
ΔG	0,96	CPP	-0,71	MLP	0,24
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	Actinobacteria	CLASS	Actinobacteridae	ORDER	Actinomycetales
FAMILY	Streptomycetaceae	GENUS	Streptomyces	SPECIES	Streptomyces strain SP9440
DATE	1993
TITLE PAPER	Isolation of RP 71955, a new anti-HIV-1 peptide secondary metabolite.