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ID	1264	NAME	SPYY_1   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\PEEMNKYLTALRHYINLVTRQRY.pdb REMARK YASARA Written on: Wed May 14 12:53:00 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 413 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: PEPTIDE YY; COMPND 3 CHAIN: A; SEQRES 1 A 23 PRO GLU GLU MET ASN LYS TYR LEU THR ALA LEU ARG HIS SEQRES 2 A 23 TYR ILE ASN LEU VAL THR ARG GLN ARG TYR 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 PRO A 1 40.793 17.145 34.328 1.00-26.20 N ATOM 2 1H PRO A 1 40.110 17.820 34.006 1.00-26.20 H ATOM 3 2H PRO A 1 41.335 16.864 33.502 1.00-26.20 H ATOM 4 CA PRO A 1 41.669 17.758 35.368 1.00-26.20 C ATOM 5 HA PRO A 1 41.234 18.710 35.677 1.00-26.20 H ATOM 6 C PRO A 1 43.101 18.032 34.884 1.00-26.20 C ATOM 7 O PRO A 1 43.562 19.156 35.017 1.00-26.20 O ATOM 8 CB PRO A 1 41.641 16.799 36.556 1.00-26.20 C ATOM 9 1HB PRO A 1 42.438 16.058 36.478 1.00-26.20 H ATOM 10 2HB PRO A 1 41.706 17.340 37.502 1.00-26.20 H ATOM 11 CG PRO A 1 40.274 16.144 36.386 1.00-26.20 C ATOM 12 1HG PRO A 1 40.232 15.184 36.907 1.00-26.20 H ATOM 13 2HG PRO A 1 39.493 16.809 36.763 1.00-26.20 H ATOM 14 CD PRO A 1 40.116 15.955 34.880 1.00-26.20 C ATOM 15 1HD PRO A 1 40.632 15.047 34.555 1.00-26.20 H ATOM 16 2HD PRO A 1 39.063 15.923 34.591 1.00-26.20 H ATOM 17 N GLU A 2 43.841 17.057 34.370 1.00-14.91 N ATOM 18 H GLU A 2 43.445 16.138 34.185 1.00-14.91 H ATOM 19 CA GLU A 2 45.261 17.283 34.068 1.00-14.91 C ATOM 20 HA GLU A 2 45.639 18.048 34.744 1.00-14.91 H ATOM 21 C GLU A 2 45.453 17.786 32.637 1.00-14.91 C ATOM 22 O GLU A 2 46.277 18.641 32.356 1.00-14.91 O ATOM 23 CB GLU A 2 46.062 16.010 34.339 1.00-14.91 C ATOM 24 1HB GLU A 2 45.554 15.465 35.136 1.00-14.91 H ATOM 25 2HB GLU A 2 46.067 15.382 33.448 1.00-14.91 H ATOM 26 CG GLU A 2 47.492 16.279 34.807 1.00-14.91 C ATOM 27 1HG GLU A 2 47.459 16.953 35.664 1.00-14.91 H ATOM 28 2HG GLU A 2 47.934 15.336 35.128 1.00-14.91 H ATOM 29 CD GLU A 2 48.370 16.884 33.727 1.00-14.91 C ATOM 30 OE1 GLU A 2 48.486 16.254 32.654 1.00-14.91 O ATOM 31 OE2 GLU A 2 48.989 17.959 33.936 1.00-14.91 O ATOM 32 N GLU A 3 44.567 17.362 31.754 1.00-18.99 N ATOM 33 H GLU A 3 43.933 16.618 32.023 1.00-18.99 H ATOM 34 CA GLU A 3 44.453 17.956 30.416 1.00-18.99 C ATOM 35 HA GLU A 3 45.413 17.873 29.906 1.00-18.99 H ATOM 36 C GLU A 3 44.106 19.438 30.581 1.00-18.99 C ATOM 37 O GLU A 3 44.690 20.312 29.942 1.00-18.99 O ATOM 38 CB GLU A 3 43.357 17.289 29.561 1.00-18.99 C ATOM 39 1HB GLU A 3 42.570 18.023 29.391 1.00-18.99 H ATOM 40 2HB GLU A 3 43.785 17.050 28.588 1.00-18.99 H ATOM 41 CG GLU A 3 42.699 16.016 30.122 1.00-18.99 C ATOM 42 1HG GLU A 3 41.994 15.629 29.385 1.00-18.99 H ATOM 43 2HG GLU A 3 43.472 15.263 30.287 1.00-18.99 H ATOM 44 CD GLU A 3 41.967 16.266 31.432 1.00-18.99 C ATOM 45 OE1 GLU A 3 42.294 15.580 32.426 1.00-18.99 O ATOM 46 OE2 GLU A 3 41.261 17.280 31.579 1.00-18.99 O ATOM 47 N MET A 4 43.200 19.725 31.507 1.00-15.21 N ATOM 48 H MET A 4 42.720 18.963 31.967 1.00-15.21 H ATOM 49 CA MET A 4 42.858 21.106 31.848 1.00-15.21 C ATOM 50 HA MET A 4 42.563 21.630 30.939 1.00-15.21 H ATOM 51 C MET A 4 44.052 21.837 32.455 1.00-15.21 C ATOM 52 O MET A 4 44.278 23.000 32.159 1.00-15.21 O ATOM 53 CB MET A 4 41.701 21.146 32.849 1.00-15.21 C ATOM 54 1HB MET A 4 42.000 20.599 33.736 1.00-15.21 H ATOM 55 2HB MET A 4 41.521 22.182 33.136 1.00-15.21 H ATOM 56 CG MET A 4 40.400 20.542 32.344 1.00-15.21 C ATOM 57 1HG MET A 4 39.986 21.169 31.554 1.00-15.21 H ATOM 58 2HG MET A 4 40.602 19.557 31.933 1.00-15.21 H ATOM 59 SD MET A 4 39.200 20.354 33.684 1.00-15.21 S ATOM 60 CE MET A 4 38.638 22.053 33.950 1.00-15.21 C ATOM 61 1HE MET A 4 37.863 22.065 34.716 1.00-15.21 H ATOM 62 2HE MET A 4 38.228 22.453 33.021 1.00-15.21 H ATOM 63 3HE MET A 4 39.472 22.676 34.275 1.00-15.21 H ATOM 64 N ASN A 5 44.855 21.167 33.270 1.00-14.07 N ATOM 65 H ASN A 5 44.636 20.210 33.513 1.00-14.07 H ATOM 66 CA ASN A 5 46.064 21.781 33.817 1.00-14.07 C ATOM 67 HA ASN A 5 45.798 22.715 34.311 1.00-14.07 H ATOM 68 C ASN A 5 47.060 22.113 32.711 1.00-14.07 C ATOM 69 O ASN A 5 47.703 23.154 32.751 1.00-14.07 O ATOM 70 CB ASN A 5 46.740 20.859 34.833 1.00-14.07 C ATOM 71 1HB ASN A 5 46.055 20.651 35.654 1.00-14.07 H ATOM 72 2HB ASN A 5 46.997 19.923 34.346 1.00-14.07 H ATOM 73 CG ASN A 5 48.014 21.443 35.376 1.00-14.07 C ATOM 74 OD1 ASN A 5 48.056 22.586 35.827 1.00-14.07 O ATOM 75 ND2 ASN A 5 49.071 20.682 35.315 1.00-14.07 N ATOM 76 1HD2 ASN A 5 49.941 21.021 35.681 1.00-14.07 H ATOM 77 2HD2 ASN A 5 49.009 19.746 34.905 1.00-14.07 H ATOM 78 N LYS A 6 47.182 21.270 31.698 1.00-27.00 N ATOM 79 H LYS A 6 46.682 20.379 31.724 1.00-27.00 H ATOM 80 CA LYS A 6 48.041 21.577 30.552 1.00-27.00 C ATOM 81 HA LYS A 6 48.998 21.938 30.925 1.00-27.00 H ATOM 82 C LYS A 6 47.479 22.685 29.671 1.00-27.00 C ATOM 83 O LYS A 6 48.239 23.525 29.199 1.00-27.00 O ATOM 84 CB LYS A 6 48.314 20.306 29.753 1.00-27.00 C ATOM 85 1HB LYS A 6 47.389 19.741 29.637 1.00-27.00 H ATOM 86 2HB LYS A 6 48.691 20.581 28.768 1.00-27.00 H ATOM 87 CG LYS A 6 49.365 19.458 30.452 1.00-27.00 C ATOM 88 1HG LYS A 6 50.288 20.037 30.496 1.00-27.00 H ATOM 89 2HG LYS A 6 49.040 19.243 31.469 1.00-27.00 H ATOM 90 CD LYS A 6 49.645 18.150 29.734 1.00-27.00 C ATOM 91 1HD LYS A 6 48.801 17.474 29.885 1.00-27.00 H ATOM 92 2HD LYS A 6 49.764 18.341 28.667 1.00-27.00 H ATOM 93 CE LYS A 6 50.929 17.509 30.263 1.00-27.00 C ATOM 94 1HE LYS A 6 51.097 16.572 29.729 1.00-27.00 H ATOM 95 2HE LYS A 6 51.765 18.181 30.060 1.00-27.00 H ATOM 96 NZ LYS A 6 50.875 17.235 31.734 1.00-27.00 N ATOM 97 1HZ LYS A 6 51.714 16.778 32.051 1.00-27.00 H ATOM 98 2HZ LYS A 6 50.069 16.643 31.944 1.00-27.00 H ATOM 99 3HZ LYS A 6 50.730 18.091 32.254 1.00-27.00 H ATOM 100 N TYR A 7 46.166 22.772 29.528 1.00-16.47 N ATOM 101 H TYR A 7 45.569 22.024 29.873 1.00-16.47 H ATOM 102 CA TYR A 7 45.559 23.938 28.883 1.00-16.47 C ATOM 103 HA TYR A 7 45.981 24.059 27.885 1.00-16.47 H ATOM 104 C TYR A 7 45.865 25.211 29.676 1.00-16.47 C ATOM 105 O TYR A 7 46.254 26.234 29.115 1.00-16.47 O ATOM 106 CB TYR A 7 44.046 23.745 28.765 1.00-16.47 C ATOM 107 1HB TYR A 7 43.844 22.946 28.052 1.00-16.47 H ATOM 108 2HB TYR A 7 43.649 23.449 29.732 1.00-16.47 H ATOM 109 CG TYR A 7 43.329 25.003 28.334 1.00-16.47 C ATOM 110 CD1 TYR A 7 43.418 25.472 27.008 1.00-16.47 C ATOM 111 HD1 TYR A 7 43.987 24.914 26.277 1.00-16.47 H ATOM 112 CD2 TYR A 7 42.577 25.750 29.265 1.00-16.47 C ATOM 113 HD2 TYR A 7 42.493 25.409 30.288 1.00-16.47 H ATOM 114 CE1 TYR A 7 42.781 26.682 26.621 1.00-16.47 C ATOM 115 HE1 TYR A 7 42.863 27.037 25.605 1.00-16.47 H ATOM 116 CE2 TYR A 7 41.930 26.950 28.878 1.00-16.47 C ATOM 117 HE2 TYR A 7 41.352 27.515 29.593 1.00-16.47 H ATOM 118 CZ TYR A 7 42.049 27.409 27.565 1.00-16.47 C ATOM 119 OH TYR A 7 41.438 28.584 27.206 1.00-16.47 O ATOM 120 HH TYR A 7 41.569 28.800 26.282 1.00-16.47 H ATOM 121 N LEU A 8 45.753 25.149 30.995 1.00-18.66 N ATOM 122 H LEU A 8 45.397 24.301 31.431 1.00-18.66 H ATOM 123 CA LEU A 8 46.111 26.290 31.833 1.00-18.66 C ATOM 124 HA LEU A 8 45.584 27.174 31.473 1.00-18.66 H ATOM 125 C LEU A 8 47.604 26.577 31.734 1.00-18.66 C ATOM 126 O LEU A 8 48.002 27.724 31.783 1.00-18.66 O ATOM 127 CB LEU A 8 45.731 26.049 33.298 1.00-18.66 C ATOM 128 1HB LEU A 8 46.195 25.117 33.612 1.00-18.66 H ATOM 129 2HB LEU A 8 46.176 26.851 33.886 1.00-18.66 H ATOM 130 CG LEU A 8 44.239 25.988 33.664 1.00-18.66 C ATOM 131 HG LEU A 8 43.750 25.247 33.041 1.00-18.66 H ATOM 132 CD1 LEU A 8 44.089 25.558 35.123 1.00-18.66 C ATOM 133 1HD1 LEU A 8 43.030 25.454 35.362 1.00-18.66 H ATOM 134 2HD1 LEU A 8 44.533 26.298 35.787 1.00-18.66 H ATOM 135 3HD1 LEU A 8 44.570 24.591 35.273 1.00-18.66 H ATOM 136 CD2 LEU A 8 43.525 27.319 33.446 1.00-18.66 C ATOM 137 1HD2 LEU A 8 42.493 27.246 33.792 1.00-18.66 H ATOM 138 2HD2 LEU A 8 43.507 27.552 32.383 1.00-18.66 H ATOM 139 3HD2 LEU A 8 44.029 28.120 33.988 1.00-18.66 H ATOM 140 N THR A 9 48.440 25.569 31.550 1.00-17.12 N ATOM 141 H THR A 9 48.076 24.622 31.560 1.00-17.12 H ATOM 142 CA THR A 9 49.875 25.777 31.345 1.00-17.12 C ATOM 143 HA THR A 9 50.254 26.377 32.160 1.00-17.12 H ATOM 144 C THR A 9 50.134 26.554 30.059 1.00-17.12 C ATOM 145 O THR A 9 50.976 27.452 30.049 1.00-17.12 O ATOM 146 CB THR A 9 50.654 24.440 31.339 1.00-17.12 C ATOM 147 HB THR A 9 50.347 23.834 30.489 1.00-17.12 H ATOM 148 OG1 THR A 9 50.379 23.737 32.554 1.00-17.12 O ATOM 149 HG1 THR A 9 49.438 23.503 32.574 1.00-17.12 H ATOM 150 CG2 THR A 9 52.157 24.638 31.299 1.00-17.12 C ATOM 151 1HG2 THR A 9 52.647 23.668 31.382 1.00-17.12 H ATOM 152 2HG2 THR A 9 52.476 25.270 32.127 1.00-17.12 H ATOM 153 3HG2 THR A 9 52.450 25.099 30.354 1.00-17.12 H ATOM 154 N ALA A 10 49.376 26.289 29.005 1.00-17.68 N ATOM 155 H ALA A 10 48.693 25.537 29.042 1.00-17.68 H ATOM 156 CA ALA A 10 49.498 27.076 27.782 1.00-17.68 C ATOM 157 HA ALA A 10 50.541 27.060 27.463 1.00-17.68 H ATOM 158 C ALA A 10 49.112 28.535 28.056 1.00-17.68 C ATOM 159 O ALA A 10 49.809 29.451 27.628 1.00-17.68 O ATOM 160 CB ALA A 10 48.632 26.468 26.670 1.00-17.68 C ATOM 161 1HB ALA A 10 48.916 25.427 26.507 1.00-17.68 H ATOM 162 2HB ALA A 10 48.785 27.028 25.746 1.00-17.68 H ATOM 163 3HB ALA A 10 47.578 26.514 26.943 1.00-17.68 H ATOM 164 N LEU A 11 48.051 28.766 28.817 1.00 -7.87 N ATOM 165 H LEU A 11 47.480 27.986 29.130 1.00 -7.87 H ATOM 166 CA LEU A 11 47.678 30.137 29.186 1.00 -7.87 C ATOM 167 HA LEU A 11 47.609 30.728 28.274 1.00 -7.87 H ATOM 168 C LEU A 11 48.715 30.809 30.088 1.00 -7.87 C ATOM 169 O LEU A 11 48.992 31.995 29.944 1.00 -7.87 O ATOM 170 CB LEU A 11 46.321 30.174 29.895 1.00 -7.87 C ATOM 171 1HB LEU A 11 46.403 29.590 30.811 1.00 -7.87 H ATOM 172 2HB LEU A 11 46.143 31.209 30.188 1.00 -7.87 H ATOM 173 CG LEU A 11 45.072 29.691 29.141 1.00 -7.87 C ATOM 174 HG LEU A 11 45.199 28.644 28.879 1.00 -7.87 H ATOM 175 CD1 LEU A 11 43.872 29.816 30.074 1.00 -7.87 C ATOM 176 1HD1 LEU A 11 42.976 29.466 29.564 1.00 -7.87 H ATOM 177 2HD1 LEU A 11 43.727 30.856 30.370 1.00 -7.87 H ATOM 178 3HD1 LEU A 11 44.030 29.205 30.959 1.00 -7.87 H ATOM 179 CD2 LEU A 11 44.806 30.479 27.858 1.00 -7.87 C ATOM 180 1HD2 LEU A 11 43.879 30.130 27.403 1.00 -7.87 H ATOM 181 2HD2 LEU A 11 45.617 30.319 27.149 1.00 -7.87 H ATOM 182 3HD2 LEU A 11 44.719 31.544 28.078 1.00 -7.87 H ATOM 183 N ARG A 12 49.328 30.065 30.998 1.00-17.09 N ATOM 184 H ARG A 12 49.037 29.095 31.111 1.00-17.09 H ATOM 185 CA ARG A 12 50.393 30.609 31.851 1.00-17.09 C ATOM 186 HA ARG A 12 50.034 31.511 32.349 1.00-17.09 H ATOM 187 C ARG A 12 51.572 31.005 30.973 1.00-17.09 C ATOM 188 O ARG A 12 52.174 32.055 31.186 1.00-17.09 O ATOM 189 CB ARG A 12 50.852 29.586 32.902 1.00-17.09 C ATOM 190 1HB ARG A 12 51.115 28.668 32.380 1.00-17.09 H ATOM 191 2HB ARG A 12 51.752 29.963 33.390 1.00-17.09 H ATOM 192 CG ARG A 12 49.824 29.248 33.993 1.00-17.09 C ATOM 193 1HG ARG A 12 49.798 30.042 34.738 1.00-17.09 H ATOM 194 2HG ARG A 12 48.839 29.170 33.544 1.00-17.09 H ATOM 195 CD ARG A 12 50.162 27.909 34.662 1.00-17.09 C ATOM 196 1HD ARG A 12 50.455 27.209 33.888 1.00-17.09 H ATOM 197 2HD ARG A 12 51.011 28.047 35.334 1.00-17.09 H ATOM 198 NE ARG A 12 49.028 27.331 35.406 1.00-17.09 N ATOM 199 HE ARG A 12 48.372 27.986 35.798 1.00-17.09 H ATOM 200 CZ ARG A 12 48.788 26.036 35.597 1.00-17.09 C ATOM 201 NH1 ARG A 12 47.768 25.670 36.319 1.00-17.09 N ATOM 202 1HH1 ARG A 12 47.171 26.346 36.756 1.00-17.09 H ATOM 203 2HH1 ARG A 12 47.594 24.677 36.439 1.00-17.09 H ATOM 204 NH2 ARG A 12 49.507 25.067 35.100 1.00-17.09 N ATOM 205 1HH2 ARG A 12 50.304 25.258 34.522 1.00-17.09 H ATOM 206 2HH2 ARG A 12 49.232 24.105 35.282 1.00-17.09 H ATOM 207 N HIS A 13 51.894 30.198 29.973 1.00 -9.37 N ATOM 208 H HIS A 13 51.392 29.324 29.840 1.00 -9.37 H ATOM 209 CA HIS A 13 52.976 30.547 29.059 1.00 -9.37 C ATOM 210 HA HIS A 13 53.859 30.792 29.650 1.00 -9.37 H ATOM 211 C HIS A 13 52.591 31.773 28.240 1.00 -9.37 C ATOM 212 O HIS A 13 53.417 32.642 28.031 1.00 -9.37 O ATOM 213 CB HIS A 13 53.339 29.391 28.124 1.00 -9.37 C ATOM 214 1HB HIS A 13 53.315 28.463 28.693 1.00 -9.37 H ATOM 215 2HB HIS A 13 52.594 29.327 27.331 1.00 -9.37 H ATOM 216 CG HIS A 13 54.701 29.531 27.514 1.00 -9.37 C ATOM 217 ND1 HIS A 13 55.752 28.684 27.772 1.00 -9.37 N ATOM 218 HD1 HIS A 13 55.725 27.867 28.364 1.00 -9.37 H ATOM 219 CD2 HIS A 13 55.204 30.458 26.653 1.00 -9.37 C ATOM 220 HD2 HIS A 13 54.640 31.282 26.238 1.00 -9.37 H ATOM 221 CE1 HIS A 13 56.816 29.119 27.093 1.00 -9.37 C ATOM 222 HE1 HIS A 13 57.786 28.639 27.104 1.00 -9.37 H ATOM 223 NE2 HIS A 13 56.538 30.209 26.406 1.00 -9.37 N ATOM 224 N TYR A 14 51.340 31.879 27.819 1.00-11.24 N ATOM 225 H TYR A 14 50.687 31.115 27.982 1.00-11.24 H ATOM 226 CA TYR A 14 50.869 33.056 27.090 1.00-11.24 C ATOM 227 HA TYR A 14 51.490 33.178 26.207 1.00-11.24 H ATOM 228 C TYR A 14 50.973 34.350 27.898 1.00-11.24 C ATOM 229 O TYR A 14 51.441 35.360 27.385 1.00-11.24 O ATOM 230 CB TYR A 14 49.425 32.846 26.630 1.00-11.24 C ATOM 231 1HB TYR A 14 49.377 31.942 26.023 1.00-11.24 H ATOM 232 2HB TYR A 14 48.788 32.711 27.500 1.00-11.24 H ATOM 233 CG TYR A 14 48.894 34.010 25.827 1.00-11.24 C ATOM 234 CD1 TYR A 14 49.242 34.172 24.471 1.00-11.24 C ATOM 235 HD1 TYR A 14 49.878 33.443 23.989 1.00-11.24 H ATOM 236 CD2 TYR A 14 48.048 34.968 26.426 1.00-11.24 C ATOM 237 HD2 TYR A 14 47.761 34.862 27.463 1.00-11.24 H ATOM 238 CE1 TYR A 14 48.773 35.289 23.728 1.00-11.24 C ATOM 239 HE1 TYR A 14 49.053 35.408 22.693 1.00-11.24 H ATOM 240 CE2 TYR A 14 47.568 36.078 25.682 1.00-11.24 C ATOM 241 HE2 TYR A 14 46.921 36.808 26.144 1.00-11.24 H ATOM 242 CZ TYR A 14 47.944 36.232 24.346 1.00-11.24 C ATOM 243 OH TYR A 14 47.496 37.319 23.640 1.00-11.24 O ATOM 244 HH TYR A 14 47.796 37.314 22.730 1.00-11.24 H ATOM 245 N ILE A 15 50.636 34.327 29.180 1.00-18.19 N ATOM 246 H ILE A 15 50.221 33.484 29.572 1.00-18.19 H ATOM 247 CA ILE A 15 50.829 35.502 30.042 1.00-18.19 C ATOM 248 HA ILE A 15 50.307 36.356 29.610 1.00-18.19 H ATOM 249 C ILE A 15 52.323 35.836 30.087 1.00-18.19 C ATOM 250 O ILE A 15 52.735 36.994 29.983 1.00-18.19 O ATOM 251 CB ILE A 15 50.272 35.239 31.476 1.00-18.19 C ATOM 252 HB ILE A 15 50.730 34.327 31.858 1.00-18.19 H ATOM 253 CG1 ILE A 15 48.743 35.041 31.413 1.00-18.19 C ATOM 254 1HG1 ILE A 15 48.274 36.012 31.255 1.00-18.19 H ATOM 255 2HG1 ILE A 15 48.494 34.418 30.559 1.00-18.19 H ATOM 256 CG2 ILE A 15 50.614 36.405 32.443 1.00-18.19 C ATOM 257 1HG2 ILE A 15 50.202 36.210 33.433 1.00-18.19 H ATOM 258 2HG2 ILE A 15 50.205 37.344 32.064 1.00-18.19 H ATOM 259 3HG2 ILE A 15 51.695 36.506 32.546 1.00-18.19 H ATOM 260 CD1 ILE A 15 48.115 34.386 32.653 1.00-18.19 C ATOM 261 1HD1 ILE A 15 47.050 34.233 32.476 1.00-18.19 H ATOM 262 2HD1 ILE A 15 48.239 35.028 33.525 1.00-18.19 H ATOM 263 3HD1 ILE A 15 48.585 33.420 32.839 1.00-18.19 H ATOM 264 N ASN A 16 53.150 34.804 30.136 1.00 -9.24 N ATOM 265 H ASN A 16 52.768 33.867 30.174 1.00 -9.24 H ATOM 266 CA ASN A 16 54.603 34.968 30.114 1.00 -9.24 C ATOM 267 HA ASN A 16 54.867 35.822 30.736 1.00 -9.24 H ATOM 268 C ASN A 16 55.173 35.253 28.720 1.00 -9.24 C ATOM 269 O ASN A 16 56.386 35.357 28.582 1.00 -9.24 O ATOM 270 CB ASN A 16 55.272 33.734 30.729 1.00 -9.24 C ATOM 271 1HB ASN A 16 54.778 32.835 30.372 1.00 -9.24 H ATOM 272 2HB ASN A 16 56.316 33.700 30.425 1.00 -9.24 H ATOM 273 CG ASN A 16 55.255 33.768 32.233 1.00 -9.24 C ATOM 274 OD1 ASN A 16 56.037 34.465 32.848 1.00 -9.24 O ATOM 275 ND2 ASN A 16 54.367 33.034 32.839 1.00 -9.24 N ATOM 276 1HD2 ASN A 16 54.371 33.017 33.842 1.00 -9.24 H ATOM 277 2HD2 ASN A 16 53.681 32.522 32.299 1.00 -9.24 H ATOM 278 N LEU A 17 54.340 35.411 27.696 1.00 -5.33 N ATOM 279 H LEU A 17 53.366 35.157 27.816 1.00 -5.33 H ATOM 280 CA LEU A 17 54.752 35.990 26.410 1.00 -5.33 C ATOM 281 HA LEU A 17 55.827 35.891 26.282 1.00 -5.33 H ATOM 282 C LEU A 17 54.393 37.471 26.394 1.00 -5.33 C ATOM 283 O LEU A 17 55.184 38.310 25.975 1.00 -5.33 O ATOM 284 CB LEU A 17 54.030 35.338 25.219 1.00 -5.33 C ATOM 285 1HB LEU A 17 52.961 35.439 25.388 1.00 -5.33 H ATOM 286 2HB LEU A 17 54.264 35.934 24.337 1.00 -5.33 H ATOM 287 CG LEU A 17 54.297 33.872 24.850 1.00 -5.33 C ATOM 288 HG LEU A 17 54.180 33.260 25.736 1.00 -5.33 H ATOM 289 CD1 LEU A 17 53.287 33.400 23.806 1.00 -5.33 C ATOM 290 1HD1 LEU A 17 53.445 32.343 23.591 1.00 -5.33 H ATOM 291 2HD1 LEU A 17 53.396 33.975 22.885 1.00 -5.33 H ATOM 292 3HD1 LEU A 17 52.275 33.529 24.187 1.00 -5.33 H ATOM 293 CD2 LEU A 17 55.704 33.673 24.304 1.00 -5.33 C ATOM 294 1HD2 LEU A 17 55.876 32.612 24.119 1.00 -5.33 H ATOM 295 2HD2 LEU A 17 56.425 34.024 25.032 1.00 -5.33 H ATOM 296 3HD2 LEU A 17 55.830 34.229 23.373 1.00 -5.33 H ATOM 297 N VAL A 18 53.195 37.791 26.866 1.00 -6.38 N ATOM 298 H VAL A 18 52.594 37.053 27.226 1.00 -6.38 H ATOM 299 CA VAL A 18 52.667 39.160 26.842 1.00 -6.38 C ATOM 300 HA VAL A 18 52.710 39.539 25.822 1.00 -6.38 H ATOM 301 C VAL A 18 53.517 40.087 27.710 1.00 -6.38 C ATOM 302 O VAL A 18 53.718 41.258 27.381 1.00 -6.38 O ATOM 303 CB VAL A 18 51.174 39.159 27.308 1.00 -6.38 C ATOM 304 HB VAL A 18 51.114 38.674 28.282 1.00 -6.38 H ATOM 305 CG1 VAL A 18 50.590 40.577 27.439 1.00 -6.38 C ATOM 306 1HG1 VAL A 18 49.538 40.513 27.723 1.00 -6.38 H ATOM 307 2HG1 VAL A 18 50.673 41.107 26.490 1.00 -6.38 H ATOM 308 3HG1 VAL A 18 51.118 41.126 28.218 1.00 -6.38 H ATOM 309 CG2 VAL A 18 50.305 38.375 26.310 1.00 -6.38 C ATOM 310 1HG2 VAL A 18 49.278 38.329 26.673 1.00 -6.38 H ATOM 311 2HG2 VAL A 18 50.665 37.356 26.197 1.00 -6.38 H ATOM 312 3HG2 VAL A 18 50.316 38.859 25.332 1.00 -6.38 H ATOM 313 N THR A 19 54.057 39.562 28.796 1.00 14.39 N ATOM 314 H THR A 19 53.873 38.593 29.032 1.00 14.39 H ATOM 315 CA THR A 19 54.908 40.340 29.694 1.00 14.39 C ATOM 316 HA THR A 19 54.476 41.329 29.840 1.00 14.39 H ATOM 317 C THR A 19 56.352 40.550 29.230 1.00 14.39 C ATOM 318 O THR A 19 57.069 41.352 29.831 1.00 14.39 O ATOM 319 CB THR A 19 54.968 39.630 31.054 1.00 14.39 C ATOM 320 HB THR A 19 55.763 40.057 31.666 1.00 14.39 H ATOM 321 OG1 THR A 19 55.200 38.239 30.825 1.00 14.39 O ATOM 322 HG1 THR A 19 54.346 37.791 30.862 1.00 14.39 H ATOM 323 CG2 THR A 19 53.645 39.736 31.802 1.00 14.39 C ATOM 324 1HG2 THR A 19 53.725 39.189 32.742 1.00 14.39 H ATOM 325 2HG2 THR A 19 52.830 39.316 31.213 1.00 14.39 H ATOM 326 3HG2 THR A 19 53.433 40.782 32.023 1.00 14.39 H ATOM 327 N ARG A 20 56.802 39.873 28.178 1.00 6.28 N ATOM 328 H ARG A 20 56.173 39.274 27.656 1.00 6.28 H ATOM 329 CA ARG A 20 58.200 40.012 27.738 1.00 6.28 C ATOM 330 HA ARG A 20 58.850 39.886 28.604 1.00 6.28 H ATOM 331 C ARG A 20 58.429 41.402 27.176 1.00 6.28 C ATOM 332 O ARG A 20 57.493 42.029 26.691 1.00 6.28 O ATOM 333 CB ARG A 20 58.569 38.970 26.677 1.00 6.28 C ATOM 334 1HB ARG A 20 57.916 39.094 25.812 1.00 6.28 H ATOM 335 2HB ARG A 20 59.599 39.137 26.363 1.00 6.28 H ATOM 336 CG ARG A 20 58.441 37.559 27.198 1.00 6.28 C ATOM 337 1HG ARG A 20 59.004 37.470 28.127 1.00 6.28 H ATOM 338 2HG ARG A 20 57.392 37.374 27.413 1.00 6.28 H ATOM 339 CD ARG A 20 58.924 36.488 26.232 1.00 6.28 C ATOM 340 1HD ARG A 20 58.448 36.630 25.261 1.00 6.28 H ATOM 341 2HD ARG A 20 60.009 36.540 26.132 1.00 6.28 H ATOM 342 NE ARG A 20 58.516 35.199 26.799 1.00 6.28 N ATOM 343 HE ARG A 20 57.940 35.259 27.637 1.00 6.28 H ATOM 344 CZ ARG A 20 58.742 33.985 26.326 1.00 6.28 C ATOM 345 NH1 ARG A 20 58.159 32.991 26.935 1.00 6.28 N ATOM 346 1HH1 ARG A 20 57.584 33.173 27.743 1.00 6.28 H ATOM 347 2HH1 ARG A 20 58.238 32.047 26.588 1.00 6.28 H ATOM 348 NH2 ARG A 20 59.475 33.733 25.272 1.00 6.28 N ATOM 349 1HH2 ARG A 20 59.919 34.494 24.787 1.00 6.28 H ATOM 350 2HH2 ARG A 20 59.590 32.788 24.952 1.00 6.28 H ATOM 351 N GLN A 21 59.664 41.877 27.255 1.00 2.30 N ATOM 352 H GLN A 21 60.399 41.315 27.645 1.00 2.30 H ATOM 353 CA GLN A 21 59.983 43.222 26.794 1.00 2.30 C ATOM 354 HA GLN A 21 59.325 43.910 27.312 1.00 2.30 H ATOM 355 C GLN A 21 59.725 43.385 25.299 1.00 2.30 C ATOM 356 O GLN A 21 60.200 42.608 24.473 1.00 2.30 O ATOM 357 CB GLN A 21 61.425 43.604 27.140 1.00 2.30 C ATOM 358 1HB GLN A 21 61.595 43.406 28.198 1.00 2.30 H ATOM 359 2HB GLN A 21 62.115 43.004 26.547 1.00 2.30 H ATOM 360 CG GLN A 21 61.673 45.077 26.866 1.00 2.30 C ATOM 361 1HG GLN A 21 61.558 45.261 25.800 1.00 2.30 H ATOM 362 2HG GLN A 21 60.918 45.657 27.394 1.00 2.30 H ATOM 363 CD GLN A 21 63.025 45.598 27.279 1.00 2.30 C ATOM 364 OE1 GLN A 21 63.892 44.874 27.747 1.00 2.30 O ATOM 365 NE2 GLN A 21 63.213 46.877 27.102 1.00 2.30 N ATOM 366 1HE2 GLN A 21 64.089 47.283 27.364 1.00 2.30 H ATOM 367 2HE2 GLN A 21 62.460 47.438 26.695 1.00 2.30 H ATOM 368 N ARG A 22 58.925 44.396 24.993 1.00 10.81 N ATOM 369 H ARG A 22 58.556 44.957 25.753 1.00 10.81 H ATOM 370 CA ARG A 22 58.492 44.745 23.635 1.00 10.81 C ATOM 371 HA ARG A 22 59.310 44.596 22.928 1.00 10.81 H ATOM 372 C ARG A 22 58.127 46.227 23.683 1.00 10.81 C ATOM 373 O ARG A 22 57.211 46.697 23.010 1.00 10.81 O ATOM 374 CB ARG A 22 57.296 43.865 23.238 1.00 10.81 C ATOM 375 1HB ARG A 22 56.961 44.139 22.238 1.00 10.81 H ATOM 376 2HB ARG A 22 57.641 42.831 23.209 1.00 10.81 H ATOM 377 CG ARG A 22 56.118 43.935 24.204 1.00 10.81 C ATOM 378 1HG ARG A 22 56.471 43.756 25.213 1.00 10.81 H ATOM 379 2HG ARG A 22 55.673 44.928 24.169 1.00 10.81 H ATOM 380 CD ARG A 22 55.055 42.905 23.908 1.00 10.81 C ATOM 381 1HD ARG A 22 54.571 43.133 22.958 1.00 10.81 H ATOM 382 2HD ARG A 22 55.522 41.921 23.847 1.00 10.81 H ATOM 383 NE ARG A 22 54.079 42.900 25.005 1.00 10.81 N ATOM 384 HE ARG A 22 54.241 42.221 25.746 1.00 10.81 H ATOM 385 CZ ARG A 22 53.034 43.700 25.150 1.00 10.81 C ATOM 386 NH1 ARG A 22 52.313 43.564 26.223 1.00 10.81 N ATOM 387 1HH1 ARG A 22 52.583 42.853 26.899 1.00 10.81 H ATOM 388 2HH1 ARG A 22 51.517 44.150 26.389 1.00 10.81 H ATOM 389 NH2 ARG A 22 52.693 44.629 24.290 1.00 10.81 N ATOM 390 1HH2 ARG A 22 53.265 44.776 23.474 1.00 10.81 H ATOM 391 2HH2 ARG A 22 51.882 45.198 24.449 1.00 10.81 H ATOM 392 N TYR A 23 58.775 46.898 24.622 1.00-26.70 N ATOM 393 H TYR A 23 59.612 46.510 25.042 1.00-26.70 H ATOM 394 CA TYR A 23 58.428 48.224 25.117 1.00-26.70 C ATOM 395 HA TYR A 23 58.119 48.891 24.313 1.00-26.70 H ATOM 396 C TYR A 23 59.757 48.690 25.695 1.00-26.70 C ATOM 397 O TYR A 23 60.631 47.793 25.760 1.00-26.70 O ATOM 398 OXT TYR A 23 59.924 49.858 26.079 1.00-26.70 O ATOM 399 CB TYR A 23 57.341 48.142 26.202 1.00-26.70 C ATOM 400 1HB TYR A 23 57.296 49.102 26.716 1.00-26.70 H ATOM 401 2HB TYR A 23 56.383 47.975 25.712 1.00-26.70 H ATOM 402 CG TYR A 23 57.540 47.040 27.233 1.00-26.70 C ATOM 403 CD1 TYR A 23 58.509 47.157 28.251 1.00-26.70 C ATOM 404 HD1 TYR A 23 59.130 48.044 28.297 1.00-26.70 H ATOM 405 CD2 TYR A 23 56.740 45.877 27.207 1.00-26.70 C ATOM 406 HD2 TYR A 23 55.973 45.780 26.454 1.00-26.70 H ATOM 407 CE1 TYR A 23 58.691 46.121 29.211 1.00-26.70 C ATOM 408 HE1 TYR A 23 59.442 46.218 29.980 1.00-26.70 H ATOM 409 CE2 TYR A 23 56.926 44.833 28.162 1.00-26.70 C ATOM 410 HE2 TYR A 23 56.323 43.938 28.121 1.00-26.70 H ATOM 411 CZ TYR A 23 57.906 44.967 29.151 1.00-26.70 C ATOM 412 OH TYR A 23 58.142 43.966 30.060 1.00-26.70 O ATOM 413 HH TYR A 23 57.619 43.167 29.905 1.00-26.70 H TER 414 TYR A 23 END
SEQUENCE	PEEMNKYLTALRHYINLVTRQRY
HELICITY	39.10	INSTAB. INDEX	78.85	FLEXIBILITY	8.35
a HYD. MOM.	57.86	b HYD. MOM.	25.78	c HYD. MOM	4.96
a MEAN HYD. MOM.	2.52	b MEAN HYD. MOM.	1.12	c MEAN HYD. MOM.	0.22
CHARGE pH5	3.21	CHARGE pH7	2.09	CHARGE pH9	1.53
Δ CHARGE pH5-pH9	1.69	ISOELECTRIC POINT	9.55	BOMAN INDEX	2.83
ΔG	13	CPP	-0,47	MLP	-1,67
MOLECULAR VOLUME		POLARITY
MIC E. coli	3	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans	4	OTHER	Cryptococcus neoformans = 5.8;Microsporum canis = 2.9; Tricophyton rubrum = 4.35; Arthroderma simii = 2.9; Aspergillus fumigatus = 23.2; Aspergillus niger = 200
MIC OTHER gram+	Nocardia brasiliensis = 5.8
MIC OTHER gram-	Aeromonas caviae = 11.6; Enterococcus faecalis = 2.9
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Hylidae	GENUS	Phyllomedusa	SPECIES	Phyllomedusa bicolor
DATE	1996
TITLE PAPER	Broad spectrum antibiotic activity of the skin-PYY