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ID	1943	NAME	Brevinin-2Ea   Blast NCBI-PROT
LENGTH	33	DISULFIDE BRIDGE	1		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\GILDTLKNLAISAAKGAAQGLVNKASCKLSGQC.pdb REMARK YASARA Written on: Wed May 14 15:09:48 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 469 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: GAEGURIN-4; COMPND 3 CHAIN: A; SEQRES 1 A 33 GLY ILE LEU ASP THR LEU LYS ASN LEU ALA ILE SER ALA SEQRES 2 A 33 ALA LYS GLY ALA ALA GLN GLY LEU VAL ASN LYS ALA SER SEQRES 3 A 33 CYS LYS LEU SER GLY GLN CYS 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 27 CYS A 33 2.03 ATOM 1 N GLY A 1 29.678 53.586 -25.131 1.00-35.17 N ATOM 2 1H GLY A 1 30.182 53.488 -24.262 1.00-35.17 H ATOM 3 2H GLY A 1 29.582 52.677 -25.565 1.00-35.17 H ATOM 4 3H GLY A 1 28.760 53.967 -24.954 1.00-35.17 H ATOM 5 CA GLY A 1 30.424 54.486 -26.046 1.00-35.17 C ATOM 6 1HA GLY A 1 30.555 55.456 -25.568 1.00-35.17 H ATOM 7 2HA GLY A 1 31.398 54.045 -26.255 1.00-35.17 H ATOM 8 C GLY A 1 29.677 54.666 -27.342 1.00-35.17 C ATOM 9 O GLY A 1 28.688 53.982 -27.530 1.00-35.17 O ATOM 10 N ILE A 2 30.105 55.559 -28.227 1.00-24.12 N ATOM 11 H ILE A 2 30.941 56.097 -28.051 1.00-24.12 H ATOM 12 CA ILE A 2 29.363 55.835 -29.468 1.00-24.12 C ATOM 13 HA ILE A 2 28.332 56.091 -29.216 1.00-24.12 H ATOM 14 C ILE A 2 29.329 54.595 -30.362 1.00-24.12 C ATOM 15 O ILE A 2 28.308 54.249 -30.940 1.00-24.12 O ATOM 16 CB ILE A 2 30.000 57.032 -30.252 1.00-24.12 C ATOM 17 HB ILE A 2 31.030 56.773 -30.500 1.00-24.12 H ATOM 18 CG1 ILE A 2 30.016 58.296 -29.363 1.00-24.12 C ATOM 19 1HG1 ILE A 2 28.986 58.612 -29.195 1.00-24.12 H ATOM 20 2HG1 ILE A 2 30.452 58.051 -28.397 1.00-24.12 H ATOM 21 CG2 ILE A 2 29.234 57.310 -31.575 1.00-24.12 C ATOM 22 1HG2 ILE A 2 29.704 58.123 -32.128 1.00-24.12 H ATOM 23 2HG2 ILE A 2 28.196 57.576 -31.363 1.00-24.12 H ATOM 24 3HG2 ILE A 2 29.243 56.427 -32.217 1.00-24.12 H ATOM 25 CD1 ILE A 2 30.807 59.492 -29.920 1.00-24.12 C ATOM 26 1HD1 ILE A 2 30.844 60.281 -29.167 1.00-24.12 H ATOM 27 2HD1 ILE A 2 30.319 59.888 -30.811 1.00-24.12 H ATOM 28 3HD1 ILE A 2 31.825 59.189 -30.166 1.00-24.12 H ATOM 29 N LEU A 3 30.439 53.874 -30.420 1.00-21.40 N ATOM 30 H LEU A 3 31.248 54.154 -29.896 1.00-21.40 H ATOM 31 CA LEU A 3 30.530 52.684 -31.265 1.00-21.40 C ATOM 32 HA LEU A 3 30.231 52.948 -32.279 1.00-21.40 H ATOM 33 C LEU A 3 29.606 51.568 -30.792 1.00-21.40 C ATOM 34 O LEU A 3 29.224 50.701 -31.561 1.00-21.40 O ATOM 35 CB LEU A 3 31.970 52.162 -31.285 1.00-21.40 C ATOM 36 1HB LEU A 3 32.225 51.852 -30.272 1.00-21.40 H ATOM 37 2HB LEU A 3 31.991 51.273 -31.916 1.00-21.40 H ATOM 38 CG LEU A 3 33.074 53.115 -31.776 1.00-21.40 C ATOM 39 HG LEU A 3 33.069 54.004 -31.146 1.00-21.40 H ATOM 40 CD1 LEU A 3 34.432 52.438 -31.622 1.00-21.40 C ATOM 41 1HD1 LEU A 3 35.223 53.126 -31.922 1.00-21.40 H ATOM 42 2HD1 LEU A 3 34.484 51.545 -32.248 1.00-21.40 H ATOM 43 3HD1 LEU A 3 34.596 52.156 -30.582 1.00-21.40 H ATOM 44 CD2 LEU A 3 32.881 53.556 -33.225 1.00-21.40 C ATOM 45 1HD2 LEU A 3 33.717 54.184 -33.535 1.00-21.40 H ATOM 46 2HD2 LEU A 3 31.964 54.136 -33.323 1.00-21.40 H ATOM 47 3HD2 LEU A 3 32.828 52.686 -33.882 1.00-21.40 H ATOM 48 N ASP A 4 29.219 51.598 -29.526 1.00 -2.38 N ATOM 49 H ASP A 4 29.527 52.337 -28.916 1.00 -2.38 H ATOM 50 CA ASP A 4 28.335 50.569 -28.989 1.00 -2.38 C ATOM 51 HA ASP A 4 28.666 49.608 -29.365 1.00 -2.38 H ATOM 52 C ASP A 4 26.902 50.798 -29.442 1.00 -2.38 C ATOM 53 O ASP A 4 26.134 49.858 -29.583 1.00 -2.38 O ATOM 54 CB ASP A 4 28.415 50.548 -27.466 1.00 -2.38 C ATOM 55 1HB ASP A 4 28.075 51.508 -27.082 1.00 -2.38 H ATOM 56 2HB ASP A 4 27.758 49.768 -27.081 1.00 -2.38 H ATOM 57 CG ASP A 4 29.823 50.307 -26.978 1.00 -2.38 C ATOM 58 OD1 ASP A 4 30.323 49.166 -27.073 1.00 -2.38 O ATOM 59 OD2 ASP A 4 30.460 51.293 -26.539 1.00 -2.38 O ATOM 60 N THR A 5 26.558 52.045 -29.729 1.00 -2.49 N ATOM 61 H THR A 5 27.217 52.801 -29.590 1.00 -2.49 H ATOM 62 CA THR A 5 25.242 52.384 -30.266 1.00 -2.49 C ATOM 63 HA THR A 5 24.467 51.911 -29.663 1.00 -2.49 H ATOM 64 C THR A 5 25.139 51.886 -31.706 1.00 -2.49 C ATOM 65 O THR A 5 24.086 51.472 -32.182 1.00 -2.49 O ATOM 66 CB THR A 5 25.061 53.917 -30.237 1.00 -2.49 C ATOM 67 HB THR A 5 25.712 54.372 -30.983 1.00 -2.49 H ATOM 68 OG1 THR A 5 25.439 54.396 -28.942 1.00 -2.49 O ATOM 69 HG1 THR A 5 24.839 54.010 -28.301 1.00 -2.49 H ATOM 70 CG2 THR A 5 23.628 54.347 -30.484 1.00 -2.49 C ATOM 71 1HG2 THR A 5 23.557 55.431 -30.394 1.00 -2.49 H ATOM 72 2HG2 THR A 5 22.963 53.879 -29.758 1.00 -2.49 H ATOM 73 3HG2 THR A 5 23.322 54.056 -31.490 1.00 -2.49 H ATOM 74 N LEU A 6 26.274 51.890 -32.389 1.00-14.52 N ATOM 75 H LEU A 6 27.116 52.226 -31.941 1.00-14.52 H ATOM 76 CA LEU A 6 26.357 51.438 -33.777 1.00-14.52 C ATOM 77 HA LEU A 6 25.477 51.782 -34.318 1.00-14.52 H ATOM 78 C LEU A 6 26.419 49.914 -33.895 1.00-14.52 C ATOM 79 O LEU A 6 26.328 49.367 -34.993 1.00-14.52 O ATOM 80 CB LEU A 6 27.609 52.033 -34.435 1.00-14.52 C ATOM 81 1HB LEU A 6 28.478 51.627 -33.920 1.00-14.52 H ATOM 82 2HB LEU A 6 27.645 51.677 -35.465 1.00-14.52 H ATOM 83 CG LEU A 6 27.756 53.563 -34.465 1.00-14.52 C ATOM 84 HG LEU A 6 27.727 53.937 -33.445 1.00-14.52 H ATOM 85 CD1 LEU A 6 29.110 53.937 -35.064 1.00-14.52 C ATOM 86 1HD1 LEU A 6 29.247 55.017 -35.016 1.00-14.52 H ATOM 87 2HD1 LEU A 6 29.163 53.613 -36.104 1.00-14.52 H ATOM 88 3HD1 LEU A 6 29.908 53.456 -34.500 1.00-14.52 H ATOM 89 CD2 LEU A 6 26.643 54.251 -35.255 1.00-14.52 C ATOM 90 1HD2 LEU A 6 26.814 55.327 -35.272 1.00-14.52 H ATOM 91 2HD2 LEU A 6 25.680 54.067 -34.778 1.00-14.52 H ATOM 92 3HD2 LEU A 6 26.617 53.874 -36.278 1.00-14.52 H ATOM 93 N LYS A 7 26.586 49.222 -32.775 1.00 4.18 N ATOM 94 H LYS A 7 26.569 49.720 -31.894 1.00 4.18 H ATOM 95 CA LYS A 7 26.830 47.772 -32.741 1.00 4.18 C ATOM 96 HA LYS A 7 27.503 47.535 -33.566 1.00 4.18 H ATOM 97 C LYS A 7 25.567 46.920 -32.914 1.00 4.18 C ATOM 98 O LYS A 7 25.278 46.015 -32.131 1.00 4.18 O ATOM 99 CB LYS A 7 27.550 47.447 -31.427 1.00 4.18 C ATOM 100 1HB LYS A 7 28.220 48.277 -31.222 1.00 4.18 H ATOM 101 2HB LYS A 7 26.813 47.406 -30.624 1.00 4.18 H ATOM 102 CG LYS A 7 28.385 46.158 -31.419 1.00 4.18 C ATOM 103 1HG LYS A 7 27.778 45.337 -31.797 1.00 4.18 H ATOM 104 2HG LYS A 7 29.245 46.286 -32.076 1.00 4.18 H ATOM 105 CD LYS A 7 28.870 45.793 -30.010 1.00 4.18 C ATOM 106 1HD LYS A 7 27.999 45.698 -29.361 1.00 4.18 H ATOM 107 2HD LYS A 7 29.382 44.831 -30.054 1.00 4.18 H ATOM 108 CE LYS A 7 29.818 46.840 -29.423 1.00 4.18 C ATOM 109 1HE LYS A 7 30.678 46.960 -30.085 1.00 4.18 H ATOM 110 2HE LYS A 7 29.295 47.792 -29.379 1.00 4.18 H ATOM 111 NZ LYS A 7 30.293 46.521 -28.037 1.00 4.18 N ATOM 112 1HZ LYS A 7 30.685 47.367 -27.620 1.00 4.18 H ATOM 113 2HZ LYS A 7 30.992 45.793 -28.057 1.00 4.18 H ATOM 114 3HZ LYS A 7 29.512 46.234 -27.465 1.00 4.18 H ATOM 115 N ASN A 8 24.787 47.213 -33.941 1.00 4.19 N ATOM 116 H ASN A 8 25.064 47.975 -34.556 1.00 4.19 H ATOM 117 CA ASN A 8 23.600 46.420 -34.247 1.00 4.19 C ATOM 118 HA ASN A 8 23.020 46.272 -33.336 1.00 4.19 H ATOM 119 C ASN A 8 24.077 45.066 -34.771 1.00 4.19 C ATOM 120 O ASN A 8 24.701 44.992 -35.824 1.00 4.19 O ATOM 121 CB ASN A 8 22.736 47.125 -35.298 1.00 4.19 C ATOM 122 1HB ASN A 8 22.572 48.154 -34.978 1.00 4.19 H ATOM 123 2HB ASN A 8 23.265 47.138 -36.251 1.00 4.19 H ATOM 124 CG ASN A 8 21.390 46.460 -35.491 1.00 4.19 C ATOM 125 OD1 ASN A 8 21.261 45.243 -35.567 1.00 4.19 O ATOM 126 ND2 ASN A 8 20.363 47.262 -35.559 1.00 4.19 N ATOM 127 1HD2 ASN A 8 19.448 46.864 -35.677 1.00 4.19 H ATOM 128 2HD2 ASN A 8 20.496 48.257 -35.486 1.00 4.19 H ATOM 129 N LEU A 9 23.776 43.995 -34.051 1.00 -5.96 N ATOM 130 H LEU A 9 23.241 44.115 -33.206 1.00 -5.96 H ATOM 131 CA LEU A 9 24.252 42.647 -34.382 1.00 -5.96 C ATOM 132 HA LEU A 9 25.281 42.732 -34.731 1.00 -5.96 H ATOM 133 C LEU A 9 23.452 41.949 -35.493 1.00 -5.96 C ATOM 134 O LEU A 9 23.281 40.735 -35.474 1.00 -5.96 O ATOM 135 CB LEU A 9 24.245 41.789 -33.107 1.00 -5.96 C ATOM 136 1HB LEU A 9 23.208 41.647 -32.811 1.00 -5.96 H ATOM 137 2HB LEU A 9 24.651 40.809 -33.358 1.00 -5.96 H ATOM 138 CG LEU A 9 25.010 42.306 -31.877 1.00 -5.96 C ATOM 139 HG LEU A 9 24.613 43.282 -31.601 1.00 -5.96 H ATOM 140 CD1 LEU A 9 24.774 41.360 -30.701 1.00 -5.96 C ATOM 141 1HD1 LEU A 9 25.271 41.747 -29.813 1.00 -5.96 H ATOM 142 2HD1 LEU A 9 25.163 40.367 -30.931 1.00 -5.96 H ATOM 143 3HD1 LEU A 9 23.706 41.286 -30.494 1.00 -5.96 H ATOM 144 CD2 LEU A 9 26.512 42.449 -32.124 1.00 -5.96 C ATOM 145 1HD2 LEU A 9 27.005 42.775 -31.210 1.00 -5.96 H ATOM 146 2HD2 LEU A 9 26.685 43.203 -32.893 1.00 -5.96 H ATOM 147 3HD2 LEU A 9 26.934 41.496 -32.448 1.00 -5.96 H ATOM 148 N ALA A 10 22.928 42.739 -36.424 1.00 19.00 N ATOM 149 H ALA A 10 23.122 43.732 -36.345 1.00 19.00 H ATOM 150 CA ALA A 10 22.117 42.294 -37.565 1.00 19.00 C ATOM 151 HA ALA A 10 21.698 43.191 -38.019 1.00 19.00 H ATOM 152 C ALA A 10 20.936 41.393 -37.171 1.00 19.00 C ATOM 153 O ALA A 10 20.540 40.482 -37.902 1.00 19.00 O ATOM 154 CB ALA A 10 23.017 41.618 -38.617 1.00 19.00 C ATOM 155 1HB ALA A 10 23.852 42.274 -38.867 1.00 19.00 H ATOM 156 2HB ALA A 10 22.442 41.409 -39.519 1.00 19.00 H ATOM 157 3HB ALA A 10 23.405 40.678 -38.217 1.00 19.00 H ATOM 158 N ILE A 11 20.365 41.668 -36.007 1.00 -9.78 N ATOM 159 H ILE A 11 20.710 42.456 -35.478 1.00 -9.78 H ATOM 160 CA ILE A 11 19.324 40.818 -35.418 1.00 -9.78 C ATOM 161 HA ILE A 11 19.707 39.799 -35.347 1.00 -9.78 H ATOM 162 C ILE A 11 18.096 40.803 -36.330 1.00 -9.78 C ATOM 163 O ILE A 11 17.450 39.774 -36.535 1.00 -9.78 O ATOM 164 CB ILE A 11 18.955 41.316 -33.982 1.00 -9.78 C ATOM 165 HB ILE A 11 18.564 42.331 -34.059 1.00 -9.78 H ATOM 166 CG1 ILE A 11 20.221 41.348 -33.095 1.00 -9.78 C ATOM 167 1HG1 ILE A 11 20.564 40.324 -32.946 1.00 -9.78 H ATOM 168 2HG1 ILE A 11 21.008 41.889 -33.614 1.00 -9.78 H ATOM 169 CG2 ILE A 11 17.863 40.416 -33.340 1.00 -9.78 C ATOM 170 1HG2 ILE A 11 17.586 40.797 -32.357 1.00 -9.78 H ATOM 171 2HG2 ILE A 11 18.235 39.394 -33.234 1.00 -9.78 H ATOM 172 3HG2 ILE A 11 16.968 40.402 -33.960 1.00 -9.78 H ATOM 173 CD1 ILE A 11 20.063 42.015 -31.720 1.00 -9.78 C ATOM 174 1HD1 ILE A 11 21.037 42.069 -31.234 1.00 -9.78 H ATOM 175 2HD1 ILE A 11 19.393 41.430 -31.089 1.00 -9.78 H ATOM 176 3HD1 ILE A 11 19.667 43.024 -31.836 1.00 -9.78 H ATOM 177 N SER A 12 17.806 41.943 -36.937 1.00 -9.66 N ATOM 178 H SER A 12 18.373 42.762 -36.773 1.00 -9.66 H ATOM 179 CA SER A 12 16.699 42.058 -37.878 1.00 -9.66 C ATOM 180 HA SER A 12 15.769 41.769 -37.389 1.00 -9.66 H ATOM 181 C SER A 12 16.889 41.176 -39.110 1.00 -9.66 C ATOM 182 O SER A 12 15.935 40.577 -39.596 1.00 -9.66 O ATOM 183 CB SER A 12 16.616 43.516 -38.315 1.00 -9.66 C ATOM 184 1HB SER A 12 16.109 43.587 -39.278 1.00 -9.66 H ATOM 185 2HB SER A 12 16.061 44.083 -37.566 1.00 -9.66 H ATOM 186 OG SER A 12 17.935 44.040 -38.402 1.00 -9.66 O ATOM 187 HG SER A 12 17.890 44.913 -38.806 1.00 -9.66 H ATOM 188 N ALA A 13 18.114 41.078 -39.609 1.00 -4.47 N ATOM 189 H ALA A 13 18.877 41.559 -39.156 1.00 -4.47 H ATOM 190 CA ALA A 13 18.389 40.280 -40.798 1.00 -4.47 C ATOM 191 HA ALA A 13 17.637 40.507 -41.555 1.00 -4.47 H ATOM 192 C ALA A 13 18.296 38.792 -40.457 1.00 -4.47 C ATOM 193 O ALA A 13 17.773 37.996 -41.238 1.00 -4.47 O ATOM 194 CB ALA A 13 19.777 40.625 -41.353 1.00 -4.47 C ATOM 195 1HB ALA A 13 19.826 41.687 -41.595 1.00 -4.47 H ATOM 196 2HB ALA A 13 19.957 40.045 -42.259 1.00 -4.47 H ATOM 197 3HB ALA A 13 20.547 40.381 -40.619 1.00 -4.47 H ATOM 198 N ALA A 14 18.768 38.426 -39.272 1.00 -4.88 N ATOM 199 H ALA A 14 19.218 39.117 -38.676 1.00 -4.88 H ATOM 200 CA ALA A 14 18.679 37.043 -38.817 1.00 -4.88 C ATOM 201 HA ALA A 14 19.139 36.400 -39.569 1.00 -4.88 H ATOM 202 C ALA A 14 17.208 36.638 -38.675 1.00 -4.88 C ATOM 203 O ALA A 14 16.797 35.569 -39.126 1.00 -4.88 O ATOM 204 CB ALA A 14 19.432 36.882 -37.488 1.00 -4.88 C ATOM 205 1HB ALA A 14 20.477 37.166 -37.619 1.00 -4.88 H ATOM 206 2HB ALA A 14 19.384 35.840 -37.167 1.00 -4.88 H ATOM 207 3HB ALA A 14 18.983 37.513 -36.720 1.00 -4.88 H ATOM 208 N LYS A 15 16.397 37.519 -38.103 1.00 -8.86 N ATOM 209 H LYS A 15 16.788 38.380 -37.720 1.00 -8.86 H ATOM 210 CA LYS A 15 14.958 37.268 -37.993 1.00 -8.86 C ATOM 211 HA LYS A 15 14.814 36.299 -37.514 1.00 -8.86 H ATOM 212 C LYS A 15 14.313 37.204 -39.372 1.00 -8.86 C ATOM 213 O LYS A 15 13.418 36.402 -39.597 1.00 -8.86 O ATOM 214 CB LYS A 15 14.280 38.346 -37.141 1.00 -8.86 C ATOM 215 1HB LYS A 15 14.847 38.466 -36.217 1.00 -8.86 H ATOM 216 2HB LYS A 15 14.297 39.291 -37.683 1.00 -8.86 H ATOM 217 CG LYS A 15 12.835 38.001 -36.786 1.00 -8.86 C ATOM 218 1HG LYS A 15 12.261 37.882 -37.705 1.00 -8.86 H ATOM 219 2HG LYS A 15 12.820 37.058 -36.240 1.00 -8.86 H ATOM 220 CD LYS A 15 12.169 39.075 -35.944 1.00 -8.86 C ATOM 221 1HD LYS A 15 12.722 39.196 -35.012 1.00 -8.86 H ATOM 222 2HD LYS A 15 12.176 40.017 -36.494 1.00 -8.86 H ATOM 223 CE LYS A 15 10.727 38.669 -35.639 1.00 -8.86 C ATOM 224 1HE LYS A 15 10.196 38.522 -36.583 1.00 -8.86 H ATOM 225 2HE LYS A 15 10.738 37.717 -35.102 1.00 -8.86 H ATOM 226 NZ LYS A 15 10.002 39.696 -34.814 1.00 -8.86 N ATOM 227 1HZ LYS A 15 9.052 39.390 -34.645 1.00 -8.86 H ATOM 228 2HZ LYS A 15 9.982 40.580 -35.304 1.00 -8.86 H ATOM 229 3HZ LYS A 15 10.471 39.817 -33.926 1.00 -8.86 H ATOM 230 N GLY A 16 14.789 38.016 -40.302 1.00 13.37 N ATOM 231 H GLY A 16 15.518 38.684 -40.070 1.00 13.37 H ATOM 232 CA GLY A 16 14.275 37.988 -41.661 1.00 13.37 C ATOM 233 1HA GLY A 16 13.198 38.153 -41.640 1.00 13.37 H ATOM 234 2HA GLY A 16 14.741 38.788 -42.235 1.00 13.37 H ATOM 235 C GLY A 16 14.541 36.667 -42.353 1.00 13.37 C ATOM 236 O GLY A 16 13.693 36.181 -43.089 1.00 13.37 O ATOM 237 N ALA A 17 15.680 36.038 -42.104 1.00 5.38 N ATOM 238 H ALA A 17 16.384 36.481 -41.518 1.00 5.38 H ATOM 239 CA ALA A 17 15.943 34.718 -42.672 1.00 5.38 C ATOM 240 HA ALA A 17 15.670 34.733 -43.727 1.00 5.38 H ATOM 241 C ALA A 17 15.095 33.643 -41.974 1.00 5.38 C ATOM 242 O ALA A 17 14.563 32.734 -42.608 1.00 5.38 O ATOM 243 CB ALA A 17 17.439 34.395 -42.549 1.00 5.38 C ATOM 244 1HB ALA A 17 18.025 35.157 -43.064 1.00 5.38 H ATOM 245 2HB ALA A 17 17.639 33.422 -42.998 1.00 5.38 H ATOM 246 3HB ALA A 17 17.732 34.369 -41.497 1.00 5.38 H ATOM 247 N ALA A 18 14.972 33.758 -40.658 1.00 21.63 N ATOM 248 H ALA A 18 15.442 34.526 -40.185 1.00 21.63 H ATOM 249 CA ALA A 18 14.241 32.788 -39.840 1.00 21.63 C ATOM 250 HA ALA A 18 14.567 31.786 -40.124 1.00 21.63 H ATOM 251 C ALA A 18 12.718 32.844 -40.011 1.00 21.63 C ATOM 252 O ALA A 18 12.021 31.903 -39.644 1.00 21.63 O ATOM 253 CB ALA A 18 14.606 33.012 -38.368 1.00 21.63 C ATOM 254 1HB ALA A 18 15.687 32.939 -38.240 1.00 21.63 H ATOM 255 2HB ALA A 18 14.121 32.252 -37.754 1.00 21.63 H ATOM 256 3HB ALA A 18 14.270 33.999 -38.049 1.00 21.63 H ATOM 257 N GLN A 19 12.236 33.939 -40.582 1.00 23.86 N ATOM 258 H GLN A 19 12.908 34.639 -40.871 1.00 23.86 H ATOM 259 CA GLN A 19 10.819 34.290 -40.756 1.00 23.86 C ATOM 260 HA GLN A 19 10.467 34.744 -39.830 1.00 23.86 H ATOM 261 C GLN A 19 9.828 33.179 -41.115 1.00 23.86 C ATOM 262 O GLN A 19 8.693 33.186 -40.653 1.00 23.86 O ATOM 263 CB GLN A 19 10.807 35.350 -41.859 1.00 23.86 C ATOM 264 1HB GLN A 19 11.520 36.124 -41.582 1.00 23.86 H ATOM 265 2HB GLN A 19 11.170 34.875 -42.769 1.00 23.86 H ATOM 266 CG GLN A 19 9.494 36.032 -42.197 1.00 23.86 C ATOM 267 1HG GLN A 19 8.737 35.281 -42.416 1.00 23.86 H ATOM 268 2HG GLN A 19 9.166 36.638 -41.354 1.00 23.86 H ATOM 269 CD GLN A 19 9.670 36.906 -43.419 1.00 23.86 C ATOM 270 OE1 GLN A 19 10.581 37.718 -43.487 1.00 23.86 O ATOM 271 NE2 GLN A 19 8.867 36.682 -44.423 1.00 23.86 N ATOM 272 1HE2 GLN A 19 9.047 37.151 -45.311 1.00 23.86 H ATOM 273 2HE2 GLN A 19 8.098 36.041 -44.334 1.00 23.86 H ATOM 274 N GLY A 20 10.249 32.230 -41.935 1.00 44.29 N ATOM 275 H GLY A 20 11.183 32.286 -42.316 1.00 44.29 H ATOM 276 CA GLY A 20 9.422 31.076 -42.252 1.00 44.29 C ATOM 277 1HA GLY A 20 8.717 30.888 -41.441 1.00 44.29 H ATOM 278 2HA GLY A 20 8.870 31.253 -43.173 1.00 44.29 H ATOM 279 C GLY A 20 10.311 29.867 -42.424 1.00 44.29 C ATOM 280 O GLY A 20 10.031 28.991 -43.244 1.00 44.29 O ATOM 281 N LEU A 21 11.423 29.877 -41.701 1.00 12.97 N ATOM 282 H LEU A 21 11.576 30.650 -41.054 1.00 12.97 H ATOM 283 CA LEU A 21 12.449 28.832 -41.753 1.00 12.97 C ATOM 284 HA LEU A 21 13.338 29.220 -41.257 1.00 12.97 H ATOM 285 C LEU A 21 12.847 28.471 -43.194 1.00 12.97 C ATOM 286 O LEU A 21 13.021 29.345 -44.047 1.00 12.97 O ATOM 287 CB LEU A 21 11.974 27.605 -40.948 1.00 12.97 C ATOM 288 1HB LEU A 21 11.110 27.179 -41.460 1.00 12.97 H ATOM 289 2HB LEU A 21 12.770 26.861 -40.942 1.00 12.97 H ATOM 290 CG LEU A 21 11.567 27.832 -39.481 1.00 12.97 C ATOM 291 HG LEU A 21 10.773 28.577 -39.443 1.00 12.97 H ATOM 292 CD1 LEU A 21 11.017 26.528 -38.908 1.00 12.97 C ATOM 293 1HD1 LEU A 21 10.683 26.692 -37.882 1.00 12.97 H ATOM 294 2HD1 LEU A 21 11.783 25.753 -38.914 1.00 12.97 H ATOM 295 3HD1 LEU A 21 10.159 26.197 -39.497 1.00 12.97 H ATOM 296 CD2 LEU A 21 12.729 28.318 -38.613 1.00 12.97 C ATOM 297 1HD2 LEU A 21 12.398 28.415 -37.578 1.00 12.97 H ATOM 298 2HD2 LEU A 21 13.060 29.301 -38.950 1.00 12.97 H ATOM 299 3HD2 LEU A 21 13.562 27.616 -38.660 1.00 12.97 H ATOM 300 N VAL A 22 12.968 27.180 -43.474 1.00 22.03 N ATOM 301 H VAL A 22 12.766 26.504 -42.755 1.00 22.03 H ATOM 302 CA VAL A 22 13.391 26.674 -44.780 1.00 22.03 C ATOM 303 HA VAL A 22 14.359 27.108 -45.031 1.00 22.03 H ATOM 304 C VAL A 22 12.393 27.072 -45.867 1.00 22.03 C ATOM 305 O VAL A 22 12.774 27.393 -46.991 1.00 22.03 O ATOM 306 CB VAL A 22 13.534 25.121 -44.725 1.00 22.03 C ATOM 307 HB VAL A 22 12.559 24.691 -44.498 1.00 22.03 H ATOM 308 CG1 VAL A 22 14.026 24.539 -46.058 1.00 22.03 C ATOM 309 1HG1 VAL A 22 14.140 23.457 -45.972 1.00 22.03 H ATOM 310 2HG1 VAL A 22 14.986 24.979 -46.334 1.00 22.03 H ATOM 311 3HG1 VAL A 22 13.302 24.740 -46.848 1.00 22.03 H ATOM 312 CG2 VAL A 22 14.510 24.709 -43.604 1.00 22.03 C ATOM 313 1HG2 VAL A 22 14.654 23.627 -43.622 1.00 22.03 H ATOM 314 2HG2 VAL A 22 14.111 24.974 -42.626 1.00 22.03 H ATOM 315 3HG2 VAL A 22 15.477 25.196 -43.746 1.00 22.03 H ATOM 316 N ASN A 23 11.113 27.111 -45.528 1.00 3.85 N ATOM 317 H ASN A 23 10.826 26.866 -44.587 1.00 3.85 H ATOM 318 CA ASN A 23 10.083 27.464 -46.501 1.00 3.85 C ATOM 319 HA ASN A 23 10.184 26.801 -47.361 1.00 3.85 H ATOM 320 C ASN A 23 10.294 28.898 -46.978 1.00 3.85 C ATOM 321 O ASN A 23 10.241 29.166 -48.177 1.00 3.85 O ATOM 322 CB ASN A 23 8.671 27.311 -45.915 1.00 3.85 C ATOM 323 1HB ASN A 23 8.563 27.948 -45.040 1.00 3.85 H ATOM 324 2HB ASN A 23 7.950 27.635 -46.665 1.00 3.85 H ATOM 325 CG ASN A 23 8.348 25.889 -45.513 1.00 3.85 C ATOM 326 OD1 ASN A 23 9.041 25.279 -44.716 1.00 3.85 O ATOM 327 ND2 ASN A 23 7.288 25.355 -46.053 1.00 3.85 N ATOM 328 1HD2 ASN A 23 7.053 24.409 -45.799 1.00 3.85 H ATOM 329 2HD2 ASN A 23 6.720 25.880 -46.693 1.00 3.85 H ATOM 330 N LYS A 24 10.595 29.818 -46.066 1.00 15.96 N ATOM 331 H LYS A 24 10.620 29.558 -45.080 1.00 15.96 H ATOM 332 CA LYS A 24 10.907 31.191 -46.475 1.00 15.96 C ATOM 333 HA LYS A 24 10.123 31.537 -47.149 1.00 15.96 H ATOM 334 C LYS A 24 12.209 31.212 -47.245 1.00 15.96 C ATOM 335 O LYS A 24 12.296 31.916 -48.230 1.00 15.96 O ATOM 336 CB LYS A 24 10.985 32.168 -45.294 1.00 15.96 C ATOM 337 1HB LYS A 24 10.025 32.135 -44.788 1.00 15.96 H ATOM 338 2HB LYS A 24 11.759 31.839 -44.600 1.00 15.96 H ATOM 339 CG LYS A 24 11.248 33.632 -45.684 1.00 15.96 C ATOM 340 1HG LYS A 24 10.971 33.771 -46.727 1.00 15.96 H ATOM 341 2HG LYS A 24 10.623 34.281 -45.072 1.00 15.96 H ATOM 342 CD LYS A 24 12.711 34.037 -45.498 1.00 15.96 C ATOM 343 1HD LYS A 24 12.933 34.092 -44.434 1.00 15.96 H ATOM 344 2HD LYS A 24 13.351 33.276 -45.940 1.00 15.96 H ATOM 345 CE LYS A 24 13.042 35.372 -46.168 1.00 15.96 C ATOM 346 1HE LYS A 24 14.110 35.555 -46.051 1.00 15.96 H ATOM 347 2HE LYS A 24 12.821 35.290 -47.234 1.00 15.96 H ATOM 348 NZ LYS A 24 12.300 36.558 -45.632 1.00 15.96 N ATOM 349 1HZ LYS A 24 12.662 37.408 -46.035 1.00 15.96 H ATOM 350 2HZ LYS A 24 12.376 36.604 -44.621 1.00 15.96 H ATOM 351 3HZ LYS A 24 11.319 36.500 -45.901 1.00 15.96 H ATOM 352 N ALA A 25 13.216 30.452 -46.846 1.00 -0.06 N ATOM 353 H ALA A 25 13.113 29.865 -46.021 1.00 -0.06 H ATOM 354 CA ALA A 25 14.488 30.470 -47.567 1.00 -0.06 C ATOM 355 HA ALA A 25 14.860 31.495 -47.566 1.00 -0.06 H ATOM 356 C ALA A 25 14.313 30.048 -49.036 1.00 -0.06 C ATOM 357 O ALA A 25 14.892 30.659 -49.936 1.00 -0.06 O ATOM 358 CB ALA A 25 15.508 29.579 -46.849 1.00 -0.06 C ATOM 359 1HB ALA A 25 15.619 29.903 -45.812 1.00 -0.06 H ATOM 360 2HB ALA A 25 16.474 29.651 -47.351 1.00 -0.06 H ATOM 361 3HB ALA A 25 15.177 28.540 -46.867 1.00 -0.06 H ATOM 362 N SER A 26 13.473 29.054 -49.285 1.00 2.36 N ATOM 363 H SER A 26 13.044 28.553 -48.507 1.00 2.36 H ATOM 364 CA SER A 26 13.166 28.639 -50.654 1.00 2.36 C ATOM 365 HA SER A 26 14.102 28.518 -51.201 1.00 2.36 H ATOM 366 C SER A 26 12.311 29.676 -51.379 1.00 2.36 C ATOM 367 O SER A 26 12.542 29.984 -52.537 1.00 2.36 O ATOM 368 CB SER A 26 12.424 27.302 -50.649 1.00 2.36 C ATOM 369 1HB SER A 26 13.007 26.572 -50.086 1.00 2.36 H ATOM 370 2HB SER A 26 11.455 27.428 -50.166 1.00 2.36 H ATOM 371 OG SER A 26 12.237 26.822 -51.970 1.00 2.36 O ATOM 372 HG SER A 26 11.992 27.555 -52.544 1.00 2.36 H ATOM 373 N CYS A 27 11.325 30.241 -50.703 1.00 25.04 N ATOM 374 H CYS A 27 11.143 29.950 -49.744 1.00 25.04 H ATOM 375 CA CYS A 27 10.453 31.256 -51.298 1.00 25.04 C ATOM 376 HA CYS A 27 10.036 30.875 -52.231 1.00 25.04 H ATOM 377 C CYS A 27 11.201 32.569 -51.603 1.00 25.04 C ATOM 378 O CYS A 27 10.914 33.287 -52.561 1.00 25.04 O ATOM 379 CB CYS A 27 9.314 31.492 -50.311 1.00 25.04 C ATOM 380 1HB CYS A 27 8.843 30.537 -50.082 1.00 25.04 H ATOM 381 2HB CYS A 27 9.746 31.881 -49.391 1.00 25.04 H ATOM 382 SG CYS A 27 8.032 32.645 -50.875 1.00 25.04 S ATOM 383 N LYS A 28 12.242 32.842 -50.831 1.00 22.94 N ATOM 384 H LYS A 28 12.416 32.250 -50.021 1.00 22.94 H ATOM 385 CA LYS A 28 13.138 33.975 -51.058 1.00 22.94 C ATOM 386 HA LYS A 28 12.545 34.891 -51.113 1.00 22.94 H ATOM 387 C LYS A 28 13.912 33.819 -52.362 1.00 22.94 C ATOM 388 O LYS A 28 14.357 34.808 -52.927 1.00 22.94 O ATOM 389 CB LYS A 28 14.108 34.087 -49.874 1.00 22.94 C ATOM 390 1HB LYS A 28 13.521 34.041 -48.960 1.00 22.94 H ATOM 391 2HB LYS A 28 14.769 33.224 -49.885 1.00 22.94 H ATOM 392 CG LYS A 28 14.951 35.365 -49.807 1.00 22.94 C ATOM 393 1HG LYS A 28 14.723 36.001 -50.661 1.00 22.94 H ATOM 394 2HG LYS A 28 14.677 35.907 -48.903 1.00 22.94 H ATOM 395 CD LYS A 28 16.462 35.091 -49.773 1.00 22.94 C ATOM 396 1HD LYS A 28 16.970 36.023 -49.521 1.00 22.94 H ATOM 397 2HD LYS A 28 16.674 34.357 -48.995 1.00 22.94 H ATOM 398 CE LYS A 28 17.002 34.585 -51.118 1.00 22.94 C ATOM 399 1HE LYS A 28 16.503 33.646 -51.369 1.00 22.94 H ATOM 400 2HE LYS A 28 16.750 35.317 -51.891 1.00 22.94 H ATOM 401 NZ LYS A 28 18.486 34.362 -51.118 1.00 22.94 N ATOM 402 1HZ LYS A 28 18.782 34.046 -52.033 1.00 22.94 H ATOM 403 2HZ LYS A 28 18.728 33.660 -50.432 1.00 22.94 H ATOM 404 3HZ LYS A 28 18.963 35.226 -50.898 1.00 22.94 H ATOM 405 N LEU A 29 14.077 32.604 -52.866 1.00-11.43 N ATOM 406 H LEU A 29 13.691 31.795 -52.389 1.00-11.43 H ATOM 407 CA LEU A 29 14.792 32.401 -54.130 1.00-11.43 C ATOM 408 HA LEU A 29 15.776 32.858 -54.053 1.00-11.43 H ATOM 409 C LEU A 29 14.051 33.069 -55.288 1.00-11.43 C ATOM 410 O LEU A 29 14.670 33.631 -56.180 1.00-11.43 O ATOM 411 CB LEU A 29 14.957 30.903 -54.413 1.00-11.43 C ATOM 412 1HB LEU A 29 15.380 30.439 -53.523 1.00-11.43 H ATOM 413 2HB LEU A 29 13.963 30.488 -54.565 1.00-11.43 H ATOM 414 CG LEU A 29 15.811 30.474 -55.617 1.00-11.43 C ATOM 415 HG LEU A 29 15.386 30.910 -56.520 1.00-11.43 H ATOM 416 CD1 LEU A 29 17.267 30.926 -55.499 1.00-11.43 C ATOM 417 1HD1 LEU A 29 17.835 30.545 -56.349 1.00-11.43 H ATOM 418 2HD1 LEU A 29 17.707 30.552 -54.576 1.00-11.43 H ATOM 419 3HD1 LEU A 29 17.318 32.015 -55.524 1.00-11.43 H ATOM 420 CD2 LEU A 29 15.758 28.954 -55.752 1.00-11.43 C ATOM 421 1HD2 LEU A 29 16.321 28.643 -56.633 1.00-11.43 H ATOM 422 2HD2 LEU A 29 14.723 28.631 -55.875 1.00-11.43 H ATOM 423 3HD2 LEU A 29 16.180 28.476 -54.867 1.00-11.43 H ATOM 424 N SER A 30 12.726 33.063 -55.235 1.00 15.03 N ATOM 425 H SER A 30 12.244 32.596 -54.475 1.00 15.03 H ATOM 426 CA SER A 30 11.902 33.742 -56.235 1.00 15.03 C ATOM 427 HA SER A 30 12.454 33.832 -57.170 1.00 15.03 H ATOM 428 C SER A 30 11.523 35.152 -55.777 1.00 15.03 C ATOM 429 O SER A 30 10.782 35.861 -56.457 1.00 15.03 O ATOM 430 CB SER A 30 10.649 32.907 -56.491 1.00 15.03 C ATOM 431 1HB SER A 30 9.985 33.439 -57.174 1.00 15.03 H ATOM 432 2HB SER A 30 10.945 31.960 -56.943 1.00 15.03 H ATOM 433 OG SER A 30 9.983 32.635 -55.271 1.00 15.03 O ATOM 434 HG SER A 30 9.171 32.158 -55.459 1.00 15.03 H ATOM 435 N GLY A 31 12.037 35.557 -54.624 1.00 12.94 N ATOM 436 H GLY A 31 12.646 34.939 -54.110 1.00 12.94 H ATOM 437 CA GLY A 31 11.807 36.892 -54.093 1.00 12.94 C ATOM 438 1HA GLY A 31 12.577 37.110 -53.353 1.00 12.94 H ATOM 439 2HA GLY A 31 11.910 37.609 -54.907 1.00 12.94 H ATOM 440 C GLY A 31 10.452 37.119 -53.455 1.00 12.94 C ATOM 441 O GLY A 31 10.053 38.263 -53.281 1.00 12.94 O ATOM 442 N GLN A 32 9.715 36.056 -53.164 1.00-11.83 N ATOM 443 H GLN A 32 10.100 35.122 -53.274 1.00-11.83 H ATOM 444 CA GLN A 32 8.309 36.196 -52.775 1.00-11.83 C ATOM 445 HA GLN A 32 7.957 37.169 -53.119 1.00-11.83 H ATOM 446 C GLN A 32 8.026 36.138 -51.270 1.00-11.83 C ATOM 447 O GLN A 32 6.888 36.345 -50.856 1.00-11.83 O ATOM 448 CB GLN A 32 7.478 35.133 -53.506 1.00-11.83 C ATOM 449 1HB GLN A 32 7.799 34.151 -53.172 1.00-11.83 H ATOM 450 2HB GLN A 32 6.430 35.265 -53.240 1.00-11.83 H ATOM 451 CG GLN A 32 7.599 35.170 -55.030 1.00-11.83 C ATOM 452 1HG GLN A 32 8.629 34.970 -55.308 1.00-11.83 H ATOM 453 2HG GLN A 32 6.976 34.384 -55.454 1.00-11.83 H ATOM 454 CD GLN A 32 7.184 36.494 -55.635 1.00-11.83 C ATOM 455 OE1 GLN A 32 6.049 36.921 -55.510 1.00-11.83 O ATOM 456 NE2 GLN A 32 8.088 37.140 -56.321 1.00-11.83 N ATOM 457 1HE2 GLN A 32 7.839 38.024 -56.726 1.00-11.83 H ATOM 458 2HE2 GLN A 32 9.027 36.760 -56.416 1.00-11.83 H ATOM 459 N CYS A 33 9.036 35.860 -50.452 1.00 -0.35 N ATOM 460 H CYS A 33 9.965 35.728 -50.819 1.00 -0.35 H ATOM 461 CA CYS A 33 8.875 35.807 -48.997 1.00 -0.35 C ATOM 462 HA CYS A 33 8.016 36.409 -48.703 1.00 -0.35 H ATOM 463 C CYS A 33 10.119 36.353 -48.317 1.00 -0.35 C ATOM 464 O CYS A 33 11.219 36.176 -48.887 1.00 -0.35 O ATOM 465 OXT CYS A 33 10.006 36.833 -47.170 1.00 -0.35 O ATOM 466 CB CYS A 33 8.696 34.377 -48.481 1.00 -0.35 C ATOM 467 1HB CYS A 33 9.621 33.841 -48.681 1.00 -0.35 H ATOM 468 2HB CYS A 33 8.581 34.441 -47.399 1.00 -0.35 H ATOM 469 SG CYS A 33 7.305 33.397 -49.137 1.00 -0.35 S TER 470 CYS A 33 CONECT 382 379 469 CONECT 469 382 466 END
SEQUENCE	GILDTLKNLAISAAKGAAQGLVNKASCKLSGQC
HELICITY	81.80	INSTAB. INDEX	12.88	FLEXIBILITY	16.23
a HYD. MOM.	38.16	b HYD. MOM.	17.09	c HYD. MOM	2.87
a MEAN HYD. MOM.	1.16	b MEAN HYD. MOM.	0.52	c MEAN HYD. MOM.	0.09
CHARGE pH5	3.07	CHARGE pH7	2.91	CHARGE pH9	1.06
Δ CHARGE pH5-pH9	2.01	ISOELECTRIC POINT	9.31	BOMAN INDEX	0.38
ΔG	18	CPP	-0,17	MLP	-14,38
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	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Rana	SPECIES	Rana esculenta
DATE	1994
TITLE PAPER	Antimicrobial peptides from skin secretions of Rana esculenta. Molecular cloning of cDNAs encoding esculentin and brevinins and isolation of new active peptides.