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ID	282	NAME	Temporin-ALi   Blast NCBI-PROT
LENGTH	13	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\risultati_grimd_abalone\pdb_final\FFPIVGKLLSGLL.pdb REMARK YASARA Written on: Wed May 14 17:03:44 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 215 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 PHE PHE PRO ILE VAL GLY LYS LEU LEU SER GLY LEU LEU ATOM 1 N PHE 1 -12.376 -9.117 15.110 1.00 -0.42 N ATOM 2 1H PHE 1 -12.497 -8.281 14.557 1.00 -0.42 H ATOM 3 2H PHE 1 -13.099 -9.786 14.885 1.00 -0.42 H ATOM 4 3H PHE 1 -12.440 -8.882 16.092 1.00 0.27 H ATOM 5 CA PHE 1 -11.040 -9.717 14.834 1.00 -0.00 C ATOM 6 HA PHE 1 -10.961 -9.947 13.773 1.00 0.10 H ATOM 7 C PHE 1 -10.912 -11.000 15.624 1.00 0.60 C ATOM 8 O PHE 1 -11.900 -11.446 16.181 1.00 -0.57 O ATOM 9 CB PHE 1 -9.903 -8.762 15.235 1.00 -0.03 C ATOM 10 1HB PHE 1 -9.960 -8.572 16.305 1.00 0.03 H ATOM 11 2HB PHE 1 -8.944 -9.235 15.032 1.00 0.03 H ATOM 12 CG PHE 1 -9.913 -7.446 14.508 1.00 0.01 C ATOM 13 CD1 PHE 1 -9.102 -7.264 13.373 1.00 -0.13 C ATOM 14 HD1 PHE 1 -8.491 -8.077 13.008 1.00 0.13 H ATOM 15 CD2 PHE 1 -10.698 -6.372 14.966 1.00 -0.13 C ATOM 16 HD2 PHE 1 -11.328 -6.492 15.835 1.00 0.13 H ATOM 17 CE1 PHE 1 -9.060 -6.017 12.704 1.00 -0.17 C ATOM 18 HE1 PHE 1 -8.435 -5.889 11.830 1.00 0.14 H ATOM 19 CE2 PHE 1 -10.668 -5.118 14.309 1.00 -0.17 C ATOM 20 HE2 PHE 1 -11.277 -4.300 14.670 1.00 0.14 H ATOM 21 CZ PHE 1 -9.844 -4.940 13.176 1.00 -0.11 C ATOM 22 HZ PHE 1 -9.823 -3.988 12.664 1.00 0.13 H ATOM 23 N PHE 2 -9.714 -11.558 15.713 1.00 -0.42 N ATOM 24 H PHE 2 -8.921 -11.148 15.238 1.00 0.27 H ATOM 25 CA PHE 2 -9.413 -12.693 16.578 1.00 -0.00 C ATOM 26 HA PHE 2 -10.203 -12.854 17.310 1.00 0.10 H ATOM 27 C PHE 2 -8.136 -12.183 17.234 1.00 0.60 C ATOM 28 O PHE 2 -7.495 -11.307 16.633 1.00 -0.57 O ATOM 29 CB PHE 2 -9.178 -13.959 15.752 1.00 -0.03 C ATOM 30 1HB PHE 2 -8.304 -13.811 15.124 1.00 0.03 H ATOM 31 2HB PHE 2 -8.979 -14.793 16.424 1.00 0.03 H ATOM 32 CG PHE 2 -10.335 -14.314 14.863 1.00 0.01 C ATOM 33 CD1 PHE 2 -11.546 -14.771 15.414 1.00 -0.13 C ATOM 34 HD1 PHE 2 -11.645 -14.887 16.484 1.00 0.13 H ATOM 35 CD2 PHE 2 -10.226 -14.173 13.467 1.00 -0.13 C ATOM 36 HD2 PHE 2 -9.297 -13.839 13.029 1.00 0.13 H ATOM 37 CE1 PHE 2 -12.651 -15.074 14.580 1.00 -0.17 C ATOM 38 HE1 PHE 2 -13.576 -15.428 15.015 1.00 0.14 H ATOM 39 CE2 PHE 2 -11.321 -14.475 12.620 1.00 -0.17 C ATOM 40 HE2 PHE 2 -11.225 -14.371 11.548 1.00 0.14 H ATOM 41 CZ PHE 2 -12.538 -14.925 13.180 1.00 -0.11 C ATOM 42 HZ PHE 2 -13.376 -15.164 12.540 1.00 0.13 H ATOM 43 N PRO 3 -7.728 -12.702 18.406 1.00 -0.25 N ATOM 44 CA PRO 3 -6.528 -12.080 18.985 1.00 -0.03 C ATOM 45 HA PRO 3 -6.675 -11.008 19.080 1.00 0.06 H ATOM 46 C PRO 3 -5.249 -12.314 18.183 1.00 0.59 C ATOM 47 O PRO 3 -4.329 -11.504 18.226 1.00 -0.57 O ATOM 48 CB PRO 3 -6.465 -12.700 20.382 1.00 -0.01 C ATOM 49 1HB PRO 3 -5.434 -12.784 20.728 1.00 0.03 H ATOM 50 2HB PRO 3 -7.053 -12.103 21.079 1.00 0.03 H ATOM 51 CG PRO 3 -7.093 -14.035 20.215 1.00 0.02 C ATOM 52 1HG PRO 3 -6.388 -14.726 19.751 1.00 0.02 H ATOM 53 2HG PRO 3 -7.441 -14.426 21.171 1.00 0.02 H ATOM 54 CD PRO 3 -8.254 -13.762 19.289 1.00 0.02 C ATOM 55 1HD PRO 3 -8.513 -14.659 18.726 1.00 0.04 H ATOM 56 2HD PRO 3 -9.114 -13.395 19.852 1.00 0.04 H ATOM 57 N ILE 4 -5.235 -13.355 17.360 1.00 -0.42 N ATOM 58 H ILE 4 -6.015 -13.988 17.357 1.00 0.27 H ATOM 59 CA ILE 4 -4.125 -13.639 16.448 1.00 -0.06 C ATOM 60 HA ILE 4 -3.199 -13.617 17.023 1.00 0.09 H ATOM 61 C ILE 4 -3.966 -12.612 15.320 1.00 0.60 C ATOM 62 O ILE 4 -2.966 -12.611 14.622 1.00 -0.57 O ATOM 63 CB ILE 4 -4.274 -15.066 15.842 1.00 0.13 C ATOM 64 HB ILE 4 -3.404 -15.258 15.214 1.00 0.02 H ATOM 65 CG1 ILE 4 -5.543 -15.171 14.969 1.00 -0.04 C ATOM 66 1HG1 ILE 4 -6.415 -15.104 15.615 1.00 0.02 H ATOM 67 2HG1 ILE 4 -5.566 -14.332 14.277 1.00 0.02 H ATOM 68 CG2 ILE 4 -4.291 -16.121 16.983 1.00 -0.32 C ATOM 69 1HG2 ILE 4 -5.214 -16.067 17.560 1.00 0.09 H ATOM 70 2HG2 ILE 4 -4.197 -17.122 16.559 1.00 0.09 H ATOM 71 3HG2 ILE 4 -3.440 -15.959 17.648 1.00 0.09 H ATOM 72 CD1 ILE 4 -5.666 -16.450 14.137 1.00 -0.07 C ATOM 73 1HD1 ILE 4 -5.764 -17.320 14.786 1.00 0.02 H ATOM 74 2HD1 ILE 4 -6.550 -16.384 13.502 1.00 0.02 H ATOM 75 3HD1 ILE 4 -4.784 -16.567 13.504 1.00 0.02 H ATOM 76 N VAL 5 -4.918 -11.698 15.171 1.00 -0.42 N ATOM 77 H VAL 5 -5.726 -11.716 15.783 1.00 0.27 H ATOM 78 CA VAL 5 -4.834 -10.623 14.174 1.00 -0.09 C ATOM 79 HA VAL 5 -4.135 -10.930 13.394 1.00 0.10 H ATOM 80 C VAL 5 -4.249 -9.386 14.877 1.00 0.60 C ATOM 81 O VAL 5 -4.410 -8.239 14.449 1.00 -0.57 O ATOM 82 CB VAL 5 -6.221 -10.353 13.494 1.00 0.30 C ATOM 83 HB VAL 5 -6.836 -9.757 14.167 1.00 -0.03 H ATOM 84 CG1 VAL 5 -6.068 -9.612 12.149 1.00 -0.32 C ATOM 85 1HG1 VAL 5 -5.434 -10.190 11.472 1.00 0.08 H ATOM 86 2HG1 VAL 5 -7.042 -9.466 11.683 1.00 0.08 H ATOM 87 3HG1 VAL 5 -5.610 -8.636 12.306 1.00 0.08 H ATOM 88 CG2 VAL 5 -6.962 -11.678 13.206 1.00 -0.32 C ATOM 89 1HG2 VAL 5 -7.207 -12.185 14.131 1.00 0.08 H ATOM 90 2HG2 VAL 5 -7.885 -11.482 12.662 1.00 0.08 H ATOM 91 3HG2 VAL 5 -6.329 -12.332 12.600 1.00 0.08 H ATOM 92 N GLY 6 -3.598 -9.615 16.011 1.00 -0.42 N ATOM 93 H GLY 6 -3.532 -10.560 16.375 1.00 0.27 H ATOM 94 CA GLY 6 -2.933 -8.548 16.742 1.00 -0.03 C ATOM 95 1HA GLY 6 -2.347 -8.978 17.555 1.00 0.07 H ATOM 96 2HA GLY 6 -2.259 -8.025 16.062 1.00 0.07 H ATOM 97 C GLY 6 -3.908 -7.541 17.310 1.00 0.60 C ATOM 98 O GLY 6 -3.610 -6.349 17.381 1.00 -0.57 O ATOM 99 N LYS 7 -5.118 -7.984 17.622 1.00 -0.35 N ATOM 100 H LYS 7 -5.315 -8.978 17.567 1.00 0.28 H ATOM 101 CA LYS 7 -6.188 -7.076 18.030 1.00 -0.24 C ATOM 102 HA LYS 7 -5.746 -6.174 18.452 1.00 0.14 H ATOM 103 C LYS 7 -7.041 -7.746 19.092 1.00 0.73 C ATOM 104 O LYS 7 -7.578 -8.817 18.854 1.00 -0.59 O ATOM 105 CB LYS 7 -7.042 -6.721 16.804 1.00 -0.01 C ATOM 106 1HB LYS 7 -6.510 -7.030 15.907 1.00 0.04 H ATOM 107 2HB LYS 7 -7.961 -7.300 16.851 1.00 0.04 H ATOM 108 CG LYS 7 -7.422 -5.247 16.672 1.00 0.02 C ATOM 109 1HG LYS 7 -8.169 -5.156 15.886 1.00 0.01 H ATOM 110 2HG LYS 7 -7.882 -4.933 17.609 1.00 0.01 H ATOM 111 CD LYS 7 -6.270 -4.274 16.351 1.00 -0.05 C ATOM 112 1HD LYS 7 -6.670 -3.264 16.451 1.00 0.06 H ATOM 113 2HD LYS 7 -5.474 -4.383 17.087 1.00 0.06 H ATOM 114 CE LYS 7 -5.674 -4.394 14.935 1.00 -0.01 C ATOM 115 1HE LYS 7 -6.468 -4.657 14.232 1.00 0.11 H ATOM 116 2HE LYS 7 -5.299 -3.407 14.655 1.00 0.11 H ATOM 117 NZ LYS 7 -4.531 -5.369 14.796 1.00 -0.38 N ATOM 118 1HZ LYS 7 -4.039 -5.218 13.928 1.00 0.17 H ATOM 119 2HZ LYS 7 -3.885 -5.262 15.572 1.00 0.17 H ATOM 120 3HZ LYS 7 -4.870 -6.327 14.808 1.00 0.17 H ATOM 121 N LEU 8 -7.166 -7.108 20.246 1.00 -0.42 N ATOM 122 H LEU 8 -6.691 -6.232 20.389 1.00 0.27 H ATOM 123 CA LEU 8 -7.934 -7.660 21.366 1.00 -0.05 C ATOM 124 HA LEU 8 -7.637 -8.699 21.506 1.00 0.09 H ATOM 125 C LEU 8 -9.442 -7.631 21.110 1.00 0.60 C ATOM 126 O LEU 8 -10.205 -8.297 21.793 1.00 -0.57 O ATOM 127 CB LEU 8 -7.592 -6.870 22.638 1.00 -0.11 C ATOM 128 1HB LEU 8 -6.524 -6.656 22.616 1.00 0.05 H ATOM 129 2HB LEU 8 -8.119 -5.917 22.586 1.00 0.05 H ATOM 130 CG LEU 8 -7.895 -7.505 24.008 1.00 0.35 C ATOM 131 HG LEU 8 -8.950 -7.759 24.055 1.00 -0.04 H ATOM 132 CD1 LEU 8 -7.073 -8.776 24.250 1.00 -0.41 C ATOM 133 1HD1 LEU 8 -7.337 -9.532 23.514 1.00 0.10 H ATOM 134 2HD1 LEU 8 -6.006 -8.559 24.188 1.00 0.10 H ATOM 135 3HD1 LEU 8 -7.304 -9.173 25.240 1.00 0.10 H ATOM 136 CD2 LEU 8 -7.594 -6.510 25.125 1.00 -0.41 C ATOM 137 1HD2 LEU 8 -8.191 -5.611 24.985 1.00 0.10 H ATOM 138 2HD2 LEU 8 -7.871 -6.949 26.085 1.00 0.10 H ATOM 139 3HD2 LEU 8 -6.536 -6.249 25.135 1.00 0.10 H ATOM 140 N LEU 9 -9.832 -6.866 20.094 1.00 -0.42 N ATOM 141 H LEU 9 -9.128 -6.366 19.594 1.00 0.27 H ATOM 142 CA LEU 9 -11.219 -6.708 19.637 1.00 -0.05 C ATOM 143 HA LEU 9 -11.837 -6.440 20.493 1.00 0.09 H ATOM 144 C LEU 9 -11.800 -7.991 19.025 1.00 0.60 C ATOM 145 O LEU 9 -11.921 -8.136 17.800 1.00 -0.57 O ATOM 146 CB LEU 9 -11.284 -5.577 18.604 1.00 -0.11 C ATOM 147 1HB LEU 9 -10.614 -5.847 17.792 1.00 0.05 H ATOM 148 2HB LEU 9 -12.299 -5.542 18.207 1.00 0.05 H ATOM 149 CG LEU 9 -10.915 -4.154 19.047 1.00 0.35 C ATOM 150 HG LEU 9 -9.939 -4.179 19.533 1.00 -0.04 H ATOM 151 CD1 LEU 9 -10.810 -3.250 17.818 1.00 -0.41 C ATOM 152 1HD1 LEU 9 -10.511 -2.248 18.130 1.00 0.10 H ATOM 153 2HD1 LEU 9 -10.067 -3.638 17.125 1.00 0.10 H ATOM 154 3HD1 LEU 9 -11.778 -3.187 17.317 1.00 0.10 H ATOM 155 CD2 LEU 9 -11.928 -3.571 20.015 1.00 -0.41 C ATOM 156 1HD2 LEU 9 -12.914 -3.508 19.552 1.00 0.10 H ATOM 157 2HD2 LEU 9 -12.014 -4.205 20.900 1.00 0.10 H ATOM 158 3HD2 LEU 9 -11.618 -2.578 20.336 1.00 0.10 H ATOM 159 N SER 10 -12.065 -8.955 19.887 1.00 -0.42 N ATOM 160 H SER 10 -11.907 -8.738 20.872 1.00 0.27 H ATOM 161 CA SER 10 -12.458 -10.311 19.525 1.00 -0.03 C ATOM 162 HA SER 10 -12.989 -10.297 18.574 1.00 0.08 H ATOM 163 C SER 10 -13.351 -10.951 20.584 1.00 0.60 C ATOM 164 O SER 10 -13.381 -12.171 20.705 1.00 -0.57 O ATOM 165 CB SER 10 -11.196 -11.163 19.383 1.00 0.21 C ATOM 166 1HB SER 10 -11.473 -12.161 19.044 1.00 0.04 H ATOM 167 2HB SER 10 -10.549 -10.705 18.635 1.00 0.04 H ATOM 168 OG SER 10 -10.481 -11.268 20.603 1.00 -0.65 O ATOM 169 HG SER 10 -11.007 -11.804 21.210 1.00 0.43 H ATOM 170 N GLY 11 -13.990 -10.139 21.414 1.00 -0.42 N ATOM 171 H GLY 11 -13.924 -9.119 21.310 1.00 0.27 H ATOM 172 CA GLY 11 -14.779 -10.646 22.531 1.00 -0.03 C ATOM 173 1HA GLY 11 -15.660 -10.016 22.653 1.00 0.07 H ATOM 174 2HA GLY 11 -15.101 -11.668 22.332 1.00 0.07 H ATOM 175 C GLY 11 -13.993 -10.617 23.827 1.00 0.60 C ATOM 176 O GLY 11 -14.522 -10.879 24.903 1.00 -0.57 O ATOM 177 N LEU 12 -12.720 -10.260 23.714 1.00 -0.42 N ATOM 178 H LEU 12 -12.343 -10.102 22.797 1.00 0.27 H ATOM 179 CA LEU 12 -11.854 -10.012 24.869 1.00 -0.05 C ATOM 180 HA LEU 12 -12.244 -10.522 25.749 1.00 0.09 H ATOM 181 C LEU 12 -11.859 -8.502 25.121 1.00 0.60 C ATOM 182 O LEU 12 -11.536 -8.018 26.205 1.00 -0.57 O ATOM 183 CB LEU 12 -10.434 -10.502 24.566 1.00 -0.11 C ATOM 184 1HB LEU 12 -10.061 -9.926 23.724 1.00 0.05 H ATOM 185 2HB LEU 12 -9.808 -10.275 25.428 1.00 0.05 H ATOM 186 CG LEU 12 -10.261 -11.990 24.219 1.00 0.35 C ATOM 187 HG LEU 12 -10.924 -12.236 23.390 1.00 -0.04 H ATOM 188 CD1 LEU 12 -8.830 -12.252 23.757 1.00 -0.41 C ATOM 189 1HD1 LEU 12 -8.723 -13.299 23.473 1.00 0.10 H ATOM 190 2HD1 LEU 12 -8.611 -11.628 22.890 1.00 0.10 H ATOM 191 3HD1 LEU 12 -8.127 -12.019 24.558 1.00 0.10 H ATOM 192 CD2 LEU 12 -10.598 -12.909 25.392 1.00 -0.41 C ATOM 193 1HD2 LEU 12 -9.974 -12.666 26.254 1.00 0.10 H ATOM 194 2HD2 LEU 12 -11.648 -12.786 25.664 1.00 0.10 H ATOM 195 3HD2 LEU 12 -10.437 -13.948 25.108 1.00 0.10 H ATOM 196 N LEU 13 -12.262 -7.803 24.071 1.00 -0.42 N ATOM 197 H LEU 13 -12.463 -8.293 23.216 1.00 0.27 H ATOM 198 CA LEU 13 -12.545 -6.375 23.990 1.00 -0.05 C ATOM 199 HA LEU 13 -13.134 -6.046 24.843 1.00 0.09 H ATOM 200 C LEU 13 -13.380 -6.362 22.708 1.00 0.60 C ATOM 201 O LEU 13 -13.978 -5.348 22.319 1.00 -0.57 O ATOM 202 OXT LEU 13 -13.370 -7.452 22.069 1.00 -0.57 O ATOM 203 CB LEU 13 -11.255 -5.559 23.831 1.00 -0.11 C ATOM 204 1HB LEU 13 -10.572 -5.874 24.617 1.00 0.05 H ATOM 205 2HB LEU 13 -10.817 -5.833 22.875 1.00 0.05 H ATOM 206 CG LEU 13 -11.355 -4.029 23.887 1.00 0.35 C ATOM 207 HG LEU 13 -12.081 -3.692 23.153 1.00 -0.04 H ATOM 208 CD1 LEU 13 -11.796 -3.542 25.262 1.00 -0.41 C ATOM 209 1HD1 LEU 13 -11.128 -3.927 26.032 1.00 0.10 H ATOM 210 2HD1 LEU 13 -11.802 -2.454 25.286 1.00 0.10 H ATOM 211 3HD1 LEU 13 -12.809 -3.895 25.459 1.00 0.10 H ATOM 212 CD2 LEU 13 -10.004 -3.414 23.531 1.00 -0.41 C ATOM 213 1HD2 LEU 13 -10.096 -2.329 23.517 1.00 0.10 H ATOM 214 2HD2 LEU 13 -9.254 -3.705 24.265 1.00 0.10 H ATOM 215 3HD2 LEU 13 -9.703 -3.751 22.541 1.00 0.10 H TER 216 LEU 13 END
SEQUENCE	FFPIVGKLLSGLL
HELICITY	92.30	INSTAB. INDEX	-2.08	FLEXIBILITY	12.85
a HYD. MOM.	52.77	b HYD. MOM.	22.15	c HYD. MOM	3.64
a MEAN HYD. MOM.	4.06	b MEAN HYD. MOM.	1.70	c MEAN HYD. MOM.	0.28
CHARGE pH5	1.00	CHARGE pH7	1.00	CHARGE pH9	0.80
Δ CHARGE pH5-pH9	0.20	ISOELECTRIC POINT	8.75	BOMAN INDEX	-2.12
ΔG	-4,30	CPP	-0,52	MLP	0,25
MOLECULAR VOLUME		POLARITY
MIC E. coli	4	MIC P. aeruginosa	3	MIC S. typhimurium
MIC S. aureus	4	MIC M. luteus		MIC B. subtilis
MIC C. albicans	3	OTHER
MIC OTHER gram+	Bacillus pumilus=3.85; Bacillus cereus=38.46
MIC OTHER gram-	Bacillus dysenteriae= 10.26; Acinetobacter calcoaceticus=30.77
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Amolops	SPECIES	Amolops loloensis
DATE	2009
TITLE PAPER	Five novel antimicrobial peptides from skin secretions of the frog, Amolops loloensis