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ID	316	NAME	temporin-CG3   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\FLPIVGKLLSGLF.pdb REMARK YASARA Written on: Wed May 14 17:05:51 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 LEU PRO ILE VAL GLY LYS LEU LEU SER GLY LEU PHE ATOM 1 N PHE 1 -5.405 -12.334 16.476 1.00 -0.42 N ATOM 2 1H PHE 1 -5.454 -13.268 16.858 1.00 -0.42 H ATOM 3 2H PHE 1 -6.049 -11.735 16.978 1.00 -0.42 H ATOM 4 3H PHE 1 -5.679 -12.359 15.505 1.00 0.27 H ATOM 5 CA PHE 1 -4.018 -11.807 16.595 1.00 -0.00 C ATOM 6 HA PHE 1 -3.744 -11.856 17.647 1.00 0.10 H ATOM 7 C PHE 1 -3.975 -10.334 16.208 1.00 0.60 C ATOM 8 O PHE 1 -3.553 -9.521 17.012 1.00 -0.57 O ATOM 9 CB PHE 1 -3.008 -12.669 15.817 1.00 -0.03 C ATOM 10 1HB PHE 1 -2.003 -12.318 16.048 1.00 0.03 H ATOM 11 2HB PHE 1 -3.097 -13.699 16.159 1.00 0.03 H ATOM 12 CG PHE 1 -3.193 -12.647 14.321 1.00 0.01 C ATOM 13 CD1 PHE 1 -2.392 -11.809 13.521 1.00 -0.13 C ATOM 14 HD1 PHE 1 -1.621 -11.197 13.973 1.00 0.13 H ATOM 15 CD2 PHE 1 -4.158 -13.465 13.698 1.00 -0.13 C ATOM 16 HD2 PHE 1 -4.752 -14.152 14.283 1.00 0.13 H ATOM 17 CE1 PHE 1 -2.573 -11.757 12.116 1.00 -0.17 C ATOM 18 HE1 PHE 1 -1.948 -11.113 11.512 1.00 0.14 H ATOM 19 CE2 PHE 1 -4.356 -13.411 12.296 1.00 -0.17 C ATOM 20 HE2 PHE 1 -5.099 -14.041 11.825 1.00 0.14 H ATOM 21 CZ PHE 1 -3.565 -12.551 11.505 1.00 -0.11 C ATOM 22 HZ PHE 1 -3.710 -12.510 10.434 1.00 0.13 H ATOM 23 N LEU 2 -4.526 -9.957 15.057 1.00 -0.42 N ATOM 24 H LEU 2 -4.652 -10.619 14.304 1.00 0.27 H ATOM 25 CA LEU 2 -5.036 -8.598 14.866 1.00 -0.05 C ATOM 26 HA LEU 2 -4.271 -7.857 15.109 1.00 0.09 H ATOM 27 C LEU 2 -6.213 -8.481 15.831 1.00 0.60 C ATOM 28 O LEU 2 -6.784 -9.527 16.176 1.00 -0.57 O ATOM 29 CB LEU 2 -5.532 -8.423 13.423 1.00 -0.11 C ATOM 30 1HB LEU 2 -6.295 -9.178 13.250 1.00 0.05 H ATOM 31 2HB LEU 2 -6.011 -7.449 13.343 1.00 0.05 H ATOM 32 CG LEU 2 -4.508 -8.527 12.284 1.00 0.35 C ATOM 33 HG LEU 2 -3.986 -9.474 12.377 1.00 -0.04 H ATOM 34 CD1 LEU 2 -5.234 -8.518 10.944 1.00 -0.41 C ATOM 35 1HD1 LEU 2 -5.773 -7.580 10.804 1.00 0.10 H ATOM 36 2HD1 LEU 2 -4.510 -8.626 10.134 1.00 0.10 H ATOM 37 3HD1 LEU 2 -5.935 -9.350 10.887 1.00 0.10 H ATOM 38 CD2 LEU 2 -3.474 -7.406 12.321 1.00 -0.41 C ATOM 39 1HD2 LEU 2 -2.782 -7.512 11.482 1.00 0.10 H ATOM 40 2HD2 LEU 2 -3.962 -6.433 12.255 1.00 0.10 H ATOM 41 3HD2 LEU 2 -2.894 -7.458 13.242 1.00 0.10 H ATOM 42 N PRO 3 -6.622 -7.262 16.233 1.00 -0.25 N ATOM 43 CA PRO 3 -7.759 -7.244 17.164 1.00 -0.03 C ATOM 44 HA PRO 3 -7.506 -7.801 18.060 1.00 0.06 H ATOM 45 C PRO 3 -9.049 -7.814 16.575 1.00 0.59 C ATOM 46 O PRO 3 -9.810 -8.481 17.260 1.00 -0.57 O ATOM 47 CB PRO 3 -7.889 -5.758 17.520 1.00 -0.01 C ATOM 48 1HB PRO 3 -8.929 -5.488 17.707 1.00 0.03 H ATOM 49 2HB PRO 3 -7.275 -5.529 18.389 1.00 0.03 H ATOM 50 CG PRO 3 -7.339 -5.041 16.343 1.00 0.02 C ATOM 51 1HG PRO 3 -8.072 -5.017 15.536 1.00 0.02 H ATOM 52 2HG PRO 3 -7.027 -4.030 16.611 1.00 0.02 H ATOM 53 CD PRO 3 -6.149 -5.889 15.955 1.00 0.02 C ATOM 54 1HD PRO 3 -5.913 -5.749 14.900 1.00 0.04 H ATOM 55 2HD PRO 3 -5.287 -5.652 16.581 1.00 0.04 H ATOM 56 N ILE 4 -9.266 -7.612 15.284 1.00 -0.42 N ATOM 57 H ILE 4 -8.609 -7.065 14.755 1.00 0.27 H ATOM 58 CA ILE 4 -10.465 -8.109 14.606 1.00 -0.06 C ATOM 59 HA ILE 4 -11.347 -7.748 15.138 1.00 0.09 H ATOM 60 C ILE 4 -10.500 -9.640 14.619 1.00 0.60 C ATOM 61 O ILE 4 -11.555 -10.262 14.730 1.00 -0.57 O ATOM 62 CB ILE 4 -10.499 -7.572 13.135 1.00 0.13 C ATOM 63 HB ILE 4 -9.640 -7.984 12.605 1.00 0.02 H ATOM 64 CG1 ILE 4 -10.364 -6.031 13.096 1.00 -0.04 C ATOM 65 1HG1 ILE 4 -9.390 -5.749 13.493 1.00 0.02 H ATOM 66 2HG1 ILE 4 -10.379 -5.725 12.050 1.00 0.02 H ATOM 67 CG2 ILE 4 -11.776 -8.025 12.393 1.00 -0.32 C ATOM 68 1HG2 ILE 4 -11.778 -9.109 12.269 1.00 0.09 H ATOM 69 2HG2 ILE 4 -12.668 -7.738 12.951 1.00 0.09 H ATOM 70 3HG2 ILE 4 -11.812 -7.571 11.401 1.00 0.09 H ATOM 71 CD1 ILE 4 -11.439 -5.202 13.843 1.00 -0.07 C ATOM 72 1HD1 ILE 4 -11.407 -5.413 14.911 1.00 0.02 H ATOM 73 2HD1 ILE 4 -11.241 -4.140 13.687 1.00 0.02 H ATOM 74 3HD1 ILE 4 -12.432 -5.428 13.453 1.00 0.02 H ATOM 75 N VAL 5 -9.331 -10.260 14.548 1.00 -0.42 N ATOM 76 H VAL 5 -8.481 -9.723 14.549 1.00 0.27 H ATOM 77 CA VAL 5 -9.244 -11.719 14.513 1.00 -0.09 C ATOM 78 HA VAL 5 -10.114 -12.086 13.968 1.00 0.10 H ATOM 79 C VAL 5 -9.325 -12.260 15.944 1.00 0.60 C ATOM 80 O VAL 5 -8.313 -12.469 16.627 1.00 -0.57 O ATOM 81 CB VAL 5 -7.975 -12.215 13.759 1.00 0.30 C ATOM 82 HB VAL 5 -7.087 -11.911 14.312 1.00 -0.03 H ATOM 83 CG1 VAL 5 -7.982 -13.747 13.621 1.00 -0.32 C ATOM 84 1HG1 VAL 5 -8.879 -14.072 13.086 1.00 0.08 H ATOM 85 2HG1 VAL 5 -7.110 -14.080 13.063 1.00 0.08 H ATOM 86 3HG1 VAL 5 -7.966 -14.220 14.604 1.00 0.08 H ATOM 87 CG2 VAL 5 -7.905 -11.589 12.355 1.00 -0.32 C ATOM 88 1HG2 VAL 5 -7.848 -10.506 12.414 1.00 0.08 H ATOM 89 2HG2 VAL 5 -7.019 -11.951 11.831 1.00 0.08 H ATOM 90 3HG2 VAL 5 -8.791 -11.860 11.776 1.00 0.08 H ATOM 91 N GLY 6 -10.557 -12.430 16.401 1.00 -0.42 N ATOM 92 H GLY 6 -11.329 -12.087 15.831 1.00 0.27 H ATOM 93 CA GLY 6 -10.871 -13.090 17.661 1.00 -0.03 C ATOM 94 1HA GLY 6 -11.907 -13.428 17.619 1.00 0.07 H ATOM 95 2HA GLY 6 -10.237 -13.974 17.750 1.00 0.07 H ATOM 96 C GLY 6 -10.705 -12.281 18.932 1.00 0.60 C ATOM 97 O GLY 6 -11.520 -12.372 19.835 1.00 -0.57 O ATOM 98 N LYS 7 -9.663 -11.469 19.006 1.00 -0.35 N ATOM 99 H LYS 7 -9.050 -11.402 18.202 1.00 0.28 H ATOM 100 CA LYS 7 -9.344 -10.705 20.214 1.00 -0.24 C ATOM 101 HA LYS 7 -9.150 -11.394 21.038 1.00 0.14 H ATOM 102 C LYS 7 -10.482 -9.793 20.675 1.00 0.73 C ATOM 103 O LYS 7 -10.919 -9.860 21.820 1.00 -0.59 O ATOM 104 CB LYS 7 -8.085 -9.885 19.933 1.00 -0.01 C ATOM 105 1HB LYS 7 -8.116 -9.569 18.898 1.00 0.04 H ATOM 106 2HB LYS 7 -8.107 -9.000 20.555 1.00 0.04 H ATOM 107 CG LYS 7 -6.767 -10.605 20.181 1.00 0.02 C ATOM 108 1HG LYS 7 -6.720 -10.925 21.222 1.00 0.01 H ATOM 109 2HG LYS 7 -6.715 -11.483 19.538 1.00 0.01 H ATOM 110 CD LYS 7 -5.574 -9.689 19.877 1.00 -0.05 C ATOM 111 1HD LYS 7 -4.954 -10.181 19.134 1.00 0.06 H ATOM 112 2HD LYS 7 -5.935 -8.753 19.450 1.00 0.06 H ATOM 113 CE LYS 7 -4.698 -9.373 21.099 1.00 -0.01 C ATOM 114 1HE LYS 7 -4.405 -10.309 21.579 1.00 0.11 H ATOM 115 2HE LYS 7 -3.794 -8.876 20.744 1.00 0.11 H ATOM 116 NZ LYS 7 -5.347 -8.481 22.118 1.00 -0.38 N ATOM 117 1HZ LYS 7 -4.716 -8.253 22.866 1.00 0.17 H ATOM 118 2HZ LYS 7 -5.657 -7.610 21.686 1.00 0.17 H ATOM 119 3HZ LYS 7 -6.180 -8.917 22.504 1.00 0.17 H ATOM 120 N LEU 8 -11.006 -8.989 19.765 1.00 -0.42 N ATOM 121 H LEU 8 -10.601 -8.971 18.830 1.00 0.27 H ATOM 122 CA LEU 8 -12.115 -8.077 20.046 1.00 -0.05 C ATOM 123 HA LEU 8 -11.835 -7.412 20.861 1.00 0.09 H ATOM 124 C LEU 8 -13.380 -8.821 20.459 1.00 0.60 C ATOM 125 O LEU 8 -14.094 -8.390 21.358 1.00 -0.57 O ATOM 126 CB LEU 8 -12.382 -7.253 18.781 1.00 -0.11 C ATOM 127 1HB LEU 8 -11.453 -6.742 18.531 1.00 0.05 H ATOM 128 2HB LEU 8 -12.591 -7.961 17.979 1.00 0.05 H ATOM 129 CG LEU 8 -13.506 -6.208 18.752 1.00 0.35 C ATOM 130 HG LEU 8 -14.455 -6.712 18.937 1.00 -0.04 H ATOM 131 CD1 LEU 8 -13.344 -5.099 19.784 1.00 -0.41 C ATOM 132 1HD1 LEU 8 -12.367 -4.626 19.691 1.00 0.10 H ATOM 133 2HD1 LEU 8 -14.121 -4.348 19.646 1.00 0.10 H ATOM 134 3HD1 LEU 8 -13.456 -5.520 20.782 1.00 0.10 H ATOM 135 CD2 LEU 8 -13.558 -5.597 17.352 1.00 -0.41 C ATOM 136 1HD2 LEU 8 -14.399 -4.906 17.286 1.00 0.10 H ATOM 137 2HD2 LEU 8 -12.633 -5.056 17.142 1.00 0.10 H ATOM 138 3HD2 LEU 8 -13.699 -6.380 16.606 1.00 0.10 H ATOM 139 N LEU 9 -13.631 -9.958 19.827 1.00 -0.42 N ATOM 140 H LEU 9 -12.983 -10.286 19.132 1.00 0.27 H ATOM 141 CA LEU 9 -14.813 -10.771 20.119 1.00 -0.05 C ATOM 142 HA LEU 9 -15.701 -10.147 20.029 1.00 0.09 H ATOM 143 C LEU 9 -14.764 -11.327 21.542 1.00 0.60 C ATOM 144 O LEU 9 -15.776 -11.399 22.230 1.00 -0.57 O ATOM 145 CB LEU 9 -14.894 -11.918 19.105 1.00 -0.11 C ATOM 146 1HB LEU 9 -14.832 -11.483 18.108 1.00 0.05 H ATOM 147 2HB LEU 9 -14.018 -12.548 19.247 1.00 0.05 H ATOM 148 CG LEU 9 -16.124 -12.838 19.141 1.00 0.35 C ATOM 149 HG LEU 9 -16.193 -13.294 20.127 1.00 -0.04 H ATOM 150 CD1 LEU 9 -17.426 -12.090 18.860 1.00 -0.41 C ATOM 151 1HD1 LEU 9 -18.256 -12.795 18.842 1.00 0.10 H ATOM 152 2HD1 LEU 9 -17.615 -11.369 19.657 1.00 0.10 H ATOM 153 3HD1 LEU 9 -17.370 -11.573 17.903 1.00 0.10 H ATOM 154 CD2 LEU 9 -15.944 -13.954 18.112 1.00 -0.41 C ATOM 155 1HD2 LEU 9 -15.876 -13.538 17.106 1.00 0.10 H ATOM 156 2HD2 LEU 9 -15.034 -14.514 18.335 1.00 0.10 H ATOM 157 3HD2 LEU 9 -16.792 -14.639 18.162 1.00 0.10 H ATOM 158 N SER 10 -13.569 -11.670 21.996 1.00 -0.42 N ATOM 159 H SER 10 -12.764 -11.623 21.379 1.00 0.27 H ATOM 160 CA SER 10 -13.350 -12.142 23.362 1.00 -0.03 C ATOM 161 HA SER 10 -14.147 -12.835 23.630 1.00 0.08 H ATOM 162 C SER 10 -13.307 -11.031 24.409 1.00 0.60 C ATOM 163 O SER 10 -13.143 -11.308 25.594 1.00 -0.57 O ATOM 164 CB SER 10 -12.019 -12.887 23.420 1.00 0.21 C ATOM 165 1HB SER 10 -11.208 -12.194 23.190 1.00 0.04 H ATOM 166 2HB SER 10 -11.873 -13.289 24.423 1.00 0.04 H ATOM 167 OG SER 10 -12.010 -13.949 22.478 1.00 -0.65 O ATOM 168 HG SER 10 -11.172 -14.408 22.547 1.00 0.43 H ATOM 169 N GLY 11 -13.396 -9.777 23.985 1.00 -0.42 N ATOM 170 H GLY 11 -13.556 -9.581 23.002 1.00 0.27 H ATOM 171 CA GLY 11 -13.282 -8.657 24.911 1.00 -0.03 C ATOM 172 1HA GLY 11 -13.650 -7.757 24.424 1.00 0.07 H ATOM 173 2HA GLY 11 -13.894 -8.854 25.791 1.00 0.07 H ATOM 174 C GLY 11 -11.853 -8.426 25.364 1.00 0.60 C ATOM 175 O GLY 11 -11.594 -7.785 26.377 1.00 -0.57 O ATOM 176 N LEU 12 -10.917 -8.973 24.602 1.00 -0.42 N ATOM 177 H LEU 12 -11.196 -9.457 23.753 1.00 0.27 H ATOM 178 CA LEU 12 -9.487 -8.933 24.903 1.00 -0.05 C ATOM 179 HA LEU 12 -9.305 -8.223 25.709 1.00 0.09 H ATOM 180 C LEU 12 -8.813 -8.429 23.632 1.00 0.60 C ATOM 181 O LEU 12 -7.968 -9.095 23.028 1.00 -0.57 O ATOM 182 CB LEU 12 -9.010 -10.333 25.310 1.00 -0.11 C ATOM 183 1HB LEU 12 -9.703 -10.706 26.063 1.00 0.05 H ATOM 184 2HB LEU 12 -9.101 -10.980 24.438 1.00 0.05 H ATOM 185 CG LEU 12 -7.587 -10.491 25.875 1.00 0.35 C ATOM 186 HG LEU 12 -6.870 -10.123 25.144 1.00 -0.04 H ATOM 187 CD1 LEU 12 -7.381 -9.714 27.175 1.00 -0.41 C ATOM 188 1HD1 LEU 12 -8.123 -10.017 27.915 1.00 0.10 H ATOM 189 2HD1 LEU 12 -6.381 -9.898 27.565 1.00 0.10 H ATOM 190 3HD1 LEU 12 -7.487 -8.646 26.988 1.00 0.10 H ATOM 191 CD2 LEU 12 -7.307 -11.975 26.112 1.00 -0.41 C ATOM 192 1HD2 LEU 12 -7.420 -12.525 25.178 1.00 0.10 H ATOM 193 2HD2 LEU 12 -6.286 -12.100 26.473 1.00 0.10 H ATOM 194 3HD2 LEU 12 -8.001 -12.375 26.854 1.00 0.10 H ATOM 195 N PHE 13 -9.314 -7.281 23.204 1.00 -0.42 N ATOM 196 H PHE 13 -9.972 -6.814 23.808 1.00 0.27 H ATOM 197 CA PHE 13 -8.985 -6.627 21.933 1.00 -0.00 C ATOM 198 HA PHE 13 -9.296 -7.270 21.117 1.00 0.10 H ATOM 199 C PHE 13 -7.496 -6.374 21.757 1.00 0.60 C ATOM 200 O PHE 13 -7.003 -6.651 20.643 1.00 -0.57 O ATOM 201 OXT PHE 13 -6.809 -6.032 22.736 1.00 -0.57 O ATOM 202 CB PHE 13 -9.759 -5.309 21.829 1.00 -0.03 C ATOM 203 1HB PHE 13 -9.063 -4.515 21.559 1.00 0.03 H ATOM 204 2HB PHE 13 -10.493 -5.398 21.033 1.00 0.03 H ATOM 205 CG PHE 13 -10.468 -4.928 23.101 1.00 0.01 C ATOM 206 CD1 PHE 13 -11.806 -5.314 23.319 1.00 -0.13 C ATOM 207 HD1 PHE 13 -12.334 -5.870 22.560 1.00 0.13 H ATOM 208 CD2 PHE 13 -9.786 -4.223 24.109 1.00 -0.13 C ATOM 209 HD2 PHE 13 -8.755 -3.932 23.958 1.00 0.13 H ATOM 210 CE1 PHE 13 -12.462 -5.001 24.533 1.00 -0.17 C ATOM 211 HE1 PHE 13 -13.485 -5.306 24.690 1.00 0.14 H ATOM 212 CE2 PHE 13 -10.426 -3.913 25.334 1.00 -0.17 C ATOM 213 HE2 PHE 13 -9.888 -3.384 26.108 1.00 0.14 H ATOM 214 CZ PHE 13 -11.766 -4.305 25.547 1.00 -0.11 C ATOM 215 HZ PHE 13 -12.254 -4.082 26.485 1.00 0.13 H TER 216 PHE 13 END
SEQUENCE	FLPIVGKLLSGLF
HELICITY	92.30	INSTAB. INDEX	-2.08	FLEXIBILITY	12.85
a HYD. MOM.	52.67	b HYD. MOM.	22.48	c HYD. MOM	3.61
a MEAN HYD. MOM.	4.05	b MEAN HYD. MOM.	1.73	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	-0,42	MLP	2
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	150	MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER	Slime mold 090223= 150.
MIC OTHER gram+	Rhodococcus rhodochrous X15= 9; Bacillus licheniformis X39= 19; Enterococcus faecalis 981= 37.5; Staphylococcus carnosus KHS= 19.
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Amolops	SPECIES	Amolops chunganensis
DATE	2012
TITLE PAPER	Characterization of diverse antimicrobial peptides in skin secretions of Chungan torrent frog Amolops chunganensis