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ID	360	NAME	Uperin 7.1KRF   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\GWFDVVKHIAKRF.pdb REMARK YASARA Written on: Wed May 14 17:02:31 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 233 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 GLY TRP PHE ASP VAL VAL LYS HIS ILE ALA LYS ARG PHE ATOM 1 N GLY 1 -1.884 -3.013 13.761 1.00 -0.42 N ATOM 2 1H GLY 1 -1.019 -2.807 13.283 1.00 -0.42 H ATOM 3 2H GLY 1 -2.256 -2.165 14.166 1.00 -0.42 H ATOM 4 3H GLY 1 -1.712 -3.682 14.498 1.00 0.27 H ATOM 5 CA GLY 1 -2.865 -3.575 12.803 1.00 -0.03 C ATOM 6 1HA GLY 1 -3.040 -2.855 12.004 1.00 0.07 H ATOM 7 2HA GLY 1 -2.471 -4.498 12.380 1.00 0.07 H ATOM 8 C GLY 1 -4.169 -3.866 13.494 1.00 0.60 C ATOM 9 O GLY 1 -4.253 -3.578 14.675 1.00 -0.57 O ATOM 10 N TRP 2 -5.151 -4.429 12.805 1.00 -0.42 N ATOM 11 H TRP 2 -4.994 -4.697 11.841 1.00 0.27 H ATOM 12 CA TRP 2 -6.507 -4.701 13.316 1.00 -0.03 C ATOM 13 HA TRP 2 -6.925 -3.782 13.731 1.00 0.11 H ATOM 14 C TRP 2 -6.638 -5.786 14.400 1.00 0.60 C ATOM 15 O TRP 2 -7.712 -6.322 14.638 1.00 -0.57 O ATOM 16 CB TRP 2 -7.339 -5.099 12.087 1.00 -0.00 C ATOM 17 1HB TRP 2 -8.263 -5.592 12.389 1.00 0.03 H ATOM 18 2HB TRP 2 -7.606 -4.191 11.547 1.00 0.03 H ATOM 19 CG TRP 2 -6.567 -5.991 11.134 1.00 -0.14 C ATOM 20 CD1 TRP 2 -6.030 -5.632 9.931 1.00 -0.16 C ATOM 21 HD1 TRP 2 -6.139 -4.651 9.485 1.00 0.21 H ATOM 22 CD2 TRP 2 -6.239 -7.387 11.292 1.00 0.12 C ATOM 23 NE1 TRP 2 -5.349 -6.670 9.357 1.00 -0.34 N ATOM 24 HE1 TRP 2 -4.893 -6.631 8.453 1.00 0.34 H ATOM 25 CE2 TRP 2 -5.425 -7.757 10.182 1.00 0.14 C ATOM 26 CE3 TRP 2 -6.551 -8.367 12.256 1.00 -0.24 C ATOM 27 HE3 TRP 2 -7.200 -8.132 13.080 1.00 0.17 H ATOM 28 CZ2 TRP 2 -4.880 -9.050 10.045 1.00 -0.26 C ATOM 29 HZ2 TRP 2 -4.264 -9.307 9.195 1.00 0.16 H ATOM 30 CZ3 TRP 2 -6.011 -9.671 12.121 1.00 -0.20 C ATOM 31 HZ3 TRP 2 -6.242 -10.429 12.856 1.00 0.14 H ATOM 32 CH2 TRP 2 -5.169 -9.992 11.017 1.00 -0.11 C ATOM 33 HH2 TRP 2 -4.763 -10.990 10.931 1.00 0.14 H ATOM 34 N PHE 3 -5.540 -6.139 15.049 1.00 -0.42 N ATOM 35 H PHE 3 -4.754 -5.507 15.048 1.00 0.27 H ATOM 36 CA PHE 3 -5.387 -7.437 15.706 1.00 -0.00 C ATOM 37 HA PHE 3 -5.649 -8.209 14.983 1.00 0.10 H ATOM 38 C PHE 3 -6.254 -7.671 16.942 1.00 0.60 C ATOM 39 O PHE 3 -6.381 -8.796 17.407 1.00 -0.57 O ATOM 40 CB PHE 3 -3.916 -7.620 16.084 1.00 -0.03 C ATOM 41 1HB PHE 3 -3.681 -6.938 16.901 1.00 0.03 H ATOM 42 2HB PHE 3 -3.769 -8.641 16.438 1.00 0.03 H ATOM 43 CG PHE 3 -2.955 -7.350 14.949 1.00 0.01 C ATOM 44 CD1 PHE 3 -1.825 -6.538 15.161 1.00 -0.13 C ATOM 45 HD1 PHE 3 -1.645 -6.115 16.140 1.00 0.13 H ATOM 46 CD2 PHE 3 -3.158 -7.914 13.673 1.00 -0.13 C ATOM 47 HD2 PHE 3 -4.002 -8.563 13.497 1.00 0.13 H ATOM 48 CE1 PHE 3 -0.897 -6.294 14.115 1.00 -0.17 C ATOM 49 HE1 PHE 3 -0.010 -5.705 14.302 1.00 0.14 H ATOM 50 CE2 PHE 3 -2.261 -7.653 12.610 1.00 -0.17 C ATOM 51 HE2 PHE 3 -2.436 -8.092 11.637 1.00 0.14 H ATOM 52 CZ PHE 3 -1.122 -6.849 12.833 1.00 -0.11 C ATOM 53 HZ PHE 3 -0.416 -6.675 12.032 1.00 0.13 H ATOM 54 N ASP 4 -6.896 -6.629 17.450 1.00 -0.52 N ATOM 55 H ASP 4 -6.809 -5.732 17.002 1.00 0.29 H ATOM 56 CA ASP 4 -7.769 -6.745 18.622 1.00 0.04 C ATOM 57 HA ASP 4 -7.197 -7.171 19.446 1.00 0.09 H ATOM 58 C ASP 4 -8.968 -7.659 18.359 1.00 0.54 C ATOM 59 O ASP 4 -9.532 -8.236 19.281 1.00 -0.58 O ATOM 60 CB ASP 4 -8.265 -5.360 19.045 1.00 -0.03 C ATOM 61 1HB ASP 4 -7.416 -4.677 19.065 1.00 -0.01 H ATOM 62 2HB ASP 4 -8.985 -5.000 18.309 1.00 -0.01 H ATOM 63 CG ASP 4 -8.914 -5.371 20.421 1.00 0.80 C ATOM 64 OD1 ASP 4 -10.160 -5.375 20.521 1.00 -0.55 O ATOM 65 OD2 ASP 4 -8.169 -5.385 21.428 1.00 -0.55 O ATOM 66 N VAL 5 -9.305 -7.888 17.096 1.00 -0.42 N ATOM 67 H VAL 5 -8.786 -7.439 16.347 1.00 0.27 H ATOM 68 CA VAL 5 -10.413 -8.781 16.742 1.00 -0.09 C ATOM 69 HA VAL 5 -11.292 -8.435 17.286 1.00 0.10 H ATOM 70 C VAL 5 -10.206 -10.246 17.133 1.00 0.60 C ATOM 71 O VAL 5 -11.169 -11.021 17.154 1.00 -0.57 O ATOM 72 CB VAL 5 -10.746 -8.721 15.223 1.00 0.30 C ATOM 73 HB VAL 5 -11.616 -9.352 15.041 1.00 -0.03 H ATOM 74 CG1 VAL 5 -11.113 -7.289 14.808 1.00 -0.32 C ATOM 75 1HG1 VAL 5 -11.445 -7.286 13.769 1.00 0.08 H ATOM 76 2HG1 VAL 5 -11.927 -6.919 15.432 1.00 0.08 H ATOM 77 3HG1 VAL 5 -10.257 -6.623 14.903 1.00 0.08 H ATOM 78 CG2 VAL 5 -9.586 -9.250 14.364 1.00 -0.32 C ATOM 79 1HG2 VAL 5 -9.428 -10.310 14.556 1.00 0.08 H ATOM 80 2HG2 VAL 5 -9.826 -9.126 13.307 1.00 0.08 H ATOM 81 3HG2 VAL 5 -8.670 -8.706 14.582 1.00 0.08 H ATOM 82 N VAL 6 -9.006 -10.659 17.528 1.00 -0.42 N ATOM 83 H VAL 6 -8.207 -10.026 17.502 1.00 0.27 H ATOM 84 CA VAL 6 -8.833 -12.026 18.035 1.00 -0.09 C ATOM 85 HA VAL 6 -9.303 -12.707 17.327 1.00 0.10 H ATOM 86 C VAL 6 -9.562 -12.168 19.371 1.00 0.60 C ATOM 87 O VAL 6 -10.038 -13.243 19.739 1.00 -0.57 O ATOM 88 CB VAL 6 -7.342 -12.455 18.177 1.00 0.30 C ATOM 89 HB VAL 6 -7.323 -13.505 18.467 1.00 -0.03 H ATOM 90 CG1 VAL 6 -6.622 -12.326 16.826 1.00 -0.32 C ATOM 91 1HG1 VAL 6 -6.546 -11.280 16.526 1.00 0.08 H ATOM 92 2HG1 VAL 6 -5.615 -12.737 16.910 1.00 0.08 H ATOM 93 3HG1 VAL 6 -7.159 -12.884 16.059 1.00 0.08 H ATOM 94 CG2 VAL 6 -6.595 -11.658 19.262 1.00 -0.32 C ATOM 95 1HG2 VAL 6 -7.009 -11.882 20.244 1.00 0.08 H ATOM 96 2HG2 VAL 6 -5.542 -11.945 19.264 1.00 0.08 H ATOM 97 3HG2 VAL 6 -6.662 -10.588 19.075 1.00 0.08 H ATOM 98 N LYS 7 -9.781 -11.044 20.042 1.00 -0.35 N ATOM 99 H LYS 7 -9.452 -10.157 19.651 1.00 0.28 H ATOM 100 CA LYS 7 -10.464 -10.998 21.333 1.00 -0.24 C ATOM 101 HA LYS 7 -10.171 -11.872 21.911 1.00 0.14 H ATOM 102 C LYS 7 -11.982 -11.002 21.187 1.00 0.73 C ATOM 103 O LYS 7 -12.712 -10.680 22.115 1.00 -0.59 O ATOM 104 CB LYS 7 -10.037 -9.754 22.103 1.00 -0.01 C ATOM 105 1HB LYS 7 -10.398 -8.883 21.563 1.00 0.04 H ATOM 106 2HB LYS 7 -10.511 -9.773 23.076 1.00 0.04 H ATOM 107 CG LYS 7 -8.545 -9.597 22.315 1.00 0.02 C ATOM 108 1HG LYS 7 -8.151 -10.437 22.885 1.00 0.01 H ATOM 109 2HG LYS 7 -8.042 -9.535 21.351 1.00 0.01 H ATOM 110 CD LYS 7 -8.321 -8.306 23.066 1.00 -0.05 C ATOM 111 1HD LYS 7 -8.852 -7.517 22.537 1.00 0.06 H ATOM 112 2HD LYS 7 -8.730 -8.388 24.075 1.00 0.06 H ATOM 113 CE LYS 7 -6.849 -7.937 23.130 1.00 -0.01 C ATOM 114 1HE LYS 7 -6.325 -8.618 23.804 1.00 0.11 H ATOM 115 2HE LYS 7 -6.421 -8.014 22.128 1.00 0.11 H ATOM 116 NZ LYS 7 -6.728 -6.518 23.599 1.00 -0.38 N ATOM 117 1HZ LYS 7 -7.148 -6.415 24.511 1.00 0.17 H ATOM 118 2HZ LYS 7 -5.758 -6.242 23.634 1.00 0.17 H ATOM 119 3HZ LYS 7 -7.220 -5.913 22.936 1.00 0.17 H ATOM 120 N HIS 8 -12.475 -11.471 20.048 1.00 -0.35 N ATOM 121 H HIS 8 -11.843 -11.656 19.282 1.00 0.28 H ATOM 122 CA HIS 8 -13.899 -11.789 19.908 1.00 -0.14 C ATOM 123 HA HIS 8 -14.479 -10.898 20.153 1.00 0.12 H ATOM 124 C HIS 8 -14.289 -12.877 20.912 1.00 0.73 C ATOM 125 O HIS 8 -15.459 -13.010 21.265 1.00 -0.59 O ATOM 126 CB HIS 8 -14.248 -12.232 18.481 1.00 -0.04 C ATOM 127 1HB HIS 8 -15.330 -12.368 18.419 1.00 0.08 H ATOM 128 2HB HIS 8 -13.968 -11.441 17.783 1.00 0.08 H ATOM 129 CG HIS 8 -13.583 -13.508 18.060 1.00 -0.00 C ATOM 130 ND1 HIS 8 -12.362 -13.551 17.401 1.00 -0.15 N ATOM 131 HD1 HIS 8 -11.823 -12.723 17.115 1.00 0.14 H ATOM 132 CD2 HIS 8 -13.957 -14.809 18.182 1.00 -0.11 C ATOM 133 HD2 HIS 8 -14.880 -15.160 18.629 1.00 0.23 H ATOM 134 CE1 HIS 8 -12.020 -14.814 17.191 1.00 -0.02 C ATOM 135 HE1 HIS 8 -11.104 -15.146 16.711 1.00 0.27 H ATOM 136 NE2 HIS 8 -12.973 -15.594 17.647 1.00 -0.17 N ATOM 137 HE2 HIS 8 -12.981 -16.609 17.601 1.00 0.14 H ATOM 138 N ILE 9 -13.302 -13.616 21.403 1.00 -0.42 N ATOM 139 H ILE 9 -12.390 -13.565 20.974 1.00 0.27 H ATOM 140 CA ILE 9 -13.456 -14.413 22.619 1.00 -0.06 C ATOM 141 HA ILE 9 -14.516 -14.563 22.806 1.00 0.09 H ATOM 142 C ILE 9 -12.912 -13.670 23.848 1.00 0.60 C ATOM 143 O ILE 9 -13.671 -13.400 24.772 1.00 -0.57 O ATOM 144 CB ILE 9 -12.810 -15.825 22.482 1.00 0.13 C ATOM 145 HB ILE 9 -12.541 -16.172 23.480 1.00 0.02 H ATOM 146 CG1 ILE 9 -11.534 -15.792 21.608 1.00 -0.04 C ATOM 147 1HG1 ILE 9 -11.820 -15.634 20.567 1.00 0.02 H ATOM 148 2HG1 ILE 9 -10.914 -14.954 21.918 1.00 0.02 H ATOM 149 CG2 ILE 9 -13.851 -16.806 21.894 1.00 -0.32 C ATOM 150 1HG2 ILE 9 -14.736 -16.827 22.533 1.00 0.09 H ATOM 151 2HG2 ILE 9 -14.138 -16.506 20.888 1.00 0.09 H ATOM 152 3HG2 ILE 9 -13.439 -17.817 21.869 1.00 0.09 H ATOM 153 CD1 ILE 9 -10.663 -17.047 21.674 1.00 -0.07 C ATOM 154 1HD1 ILE 9 -11.200 -17.907 21.274 1.00 0.02 H ATOM 155 2HD1 ILE 9 -9.759 -16.890 21.085 1.00 0.02 H ATOM 156 3HD1 ILE 9 -10.379 -17.246 22.708 1.00 0.02 H ATOM 157 N ALA 10 -11.633 -13.315 23.840 1.00 -0.42 N ATOM 158 H ALA 10 -11.082 -13.492 23.022 1.00 0.27 H ATOM 159 CA ALA 10 -10.922 -12.785 25.006 1.00 0.03 C ATOM 160 HA ALA 10 -11.209 -13.420 25.842 1.00 0.08 H ATOM 161 C ALA 10 -11.197 -11.340 25.480 1.00 0.60 C ATOM 162 O ALA 10 -10.299 -10.492 25.499 1.00 -0.57 O ATOM 163 CB ALA 10 -9.416 -13.004 24.800 1.00 -0.18 C ATOM 164 1HB ALA 10 -8.896 -12.758 25.731 1.00 0.06 H ATOM 165 2HB ALA 10 -9.219 -14.050 24.569 1.00 0.06 H ATOM 166 3HB ALA 10 -9.042 -12.365 24.003 1.00 0.06 H ATOM 167 N LYS 11 -12.442 -11.060 25.847 1.00 -0.35 N ATOM 168 H LYS 11 -13.152 -11.761 25.648 1.00 0.28 H ATOM 169 CA LYS 11 -12.818 -9.836 26.582 1.00 -0.24 C ATOM 170 HA LYS 11 -11.914 -9.383 26.991 1.00 0.14 H ATOM 171 C LYS 11 -13.730 -10.176 27.759 1.00 0.73 C ATOM 172 O LYS 11 -14.450 -9.323 28.264 1.00 -0.59 O ATOM 173 CB LYS 11 -13.506 -8.806 25.669 1.00 -0.01 C ATOM 174 1HB LYS 11 -14.368 -9.271 25.190 1.00 0.04 H ATOM 175 2HB LYS 11 -13.854 -7.974 26.281 1.00 0.04 H ATOM 176 CG LYS 11 -12.583 -8.235 24.609 1.00 0.02 C ATOM 177 1HG LYS 11 -11.693 -7.841 25.099 1.00 0.01 H ATOM 178 2HG LYS 11 -12.289 -9.036 23.947 1.00 0.01 H ATOM 179 CD LYS 11 -13.209 -7.127 23.777 1.00 -0.05 C ATOM 180 1HD LYS 11 -14.114 -7.497 23.295 1.00 0.06 H ATOM 181 2HD LYS 11 -13.457 -6.284 24.424 1.00 0.06 H ATOM 182 CE LYS 11 -12.201 -6.687 22.718 1.00 -0.01 C ATOM 183 1HE LYS 11 -11.269 -6.418 23.219 1.00 0.11 H ATOM 184 2HE LYS 11 -11.992 -7.538 22.069 1.00 0.11 H ATOM 185 NZ LYS 11 -12.618 -5.532 21.859 1.00 -0.38 N ATOM 186 1HZ LYS 11 -11.848 -5.312 21.221 1.00 0.17 H ATOM 187 2HZ LYS 11 -13.434 -5.771 21.317 1.00 0.17 H ATOM 188 3HZ LYS 11 -12.805 -4.720 22.429 1.00 0.17 H ATOM 189 N ARG 12 -13.762 -11.449 28.125 1.00 -0.35 N ATOM 190 H ARG 12 -13.097 -12.091 27.697 1.00 0.28 H ATOM 191 CA ARG 12 -14.692 -11.991 29.136 1.00 -0.26 C ATOM 192 HA ARG 12 -14.741 -11.316 29.991 1.00 0.16 H ATOM 193 C ARG 12 -14.145 -13.339 29.595 1.00 0.73 C ATOM 194 O ARG 12 -14.869 -14.221 30.056 1.00 -0.59 O ATOM 195 CB ARG 12 -16.094 -12.156 28.529 1.00 -0.00 C ATOM 196 1HB ARG 12 -16.769 -12.549 29.289 1.00 0.03 H ATOM 197 2HB ARG 12 -16.452 -11.168 28.241 1.00 0.03 H ATOM 198 CG ARG 12 -16.151 -13.054 27.296 1.00 0.04 C ATOM 199 1HG ARG 12 -15.423 -12.706 26.568 1.00 0.03 H ATOM 200 2HG ARG 12 -15.912 -14.079 27.574 1.00 0.03 H ATOM 201 CD ARG 12 -17.522 -13.020 26.649 1.00 0.05 C ATOM 202 1HD ARG 12 -18.260 -13.379 27.367 1.00 0.07 H ATOM 203 2HD ARG 12 -17.766 -11.992 26.378 1.00 0.07 H ATOM 204 NE ARG 12 -17.554 -13.868 25.447 1.00 -0.53 N ATOM 205 HE ARG 12 -17.927 -14.795 25.570 1.00 0.35 H ATOM 206 CZ ARG 12 -17.130 -13.532 24.235 1.00 0.81 C ATOM 207 NH1 ARG 12 -17.241 -14.394 23.266 1.00 -0.86 N ATOM 208 1HH1 ARG 12 -17.666 -15.290 23.423 1.00 0.32 H ATOM 209 2HH1 ARG 12 -16.887 -14.142 22.350 1.00 0.32 H ATOM 210 NH2 ARG 12 -16.603 -12.374 23.935 1.00 -0.86 N ATOM 211 1HH2 ARG 12 -16.488 -11.678 24.649 1.00 0.32 H ATOM 212 2HH2 ARG 12 -16.276 -12.206 22.992 1.00 0.32 H ATOM 213 N PHE 13 -12.874 -13.493 29.278 1.00 -0.42 N ATOM 214 H PHE 13 -12.277 -12.672 29.223 1.00 0.27 H ATOM 215 CA PHE 13 -12.220 -14.726 28.841 1.00 -0.00 C ATOM 216 HA PHE 13 -12.074 -15.430 29.659 1.00 0.10 H ATOM 217 C PHE 13 -10.903 -14.095 28.397 1.00 0.60 C ATOM 218 O PHE 13 -9.866 -14.749 28.223 1.00 -0.57 O ATOM 219 OXT PHE 13 -10.996 -12.853 28.208 1.00 -0.57 O ATOM 220 CB PHE 13 -12.967 -15.348 27.650 1.00 -0.03 C ATOM 221 1HB PHE 13 -13.991 -15.562 27.949 1.00 0.03 H ATOM 222 2HB PHE 13 -12.989 -14.622 26.845 1.00 0.03 H ATOM 223 CG PHE 13 -12.361 -16.624 27.132 1.00 0.01 C ATOM 224 CD1 PHE 13 -11.334 -16.597 26.171 1.00 -0.13 C ATOM 225 HD1 PHE 13 -10.934 -15.650 25.844 1.00 0.13 H ATOM 226 CD2 PHE 13 -12.844 -17.866 27.579 1.00 -0.13 C ATOM 227 HD2 PHE 13 -13.623 -17.900 28.327 1.00 0.13 H ATOM 228 CE1 PHE 13 -10.794 -17.798 25.648 1.00 -0.17 C ATOM 229 HE1 PHE 13 -9.991 -17.761 24.928 1.00 0.14 H ATOM 230 CE2 PHE 13 -12.322 -19.080 27.058 1.00 -0.17 C ATOM 231 HE2 PHE 13 -12.703 -20.028 27.410 1.00 0.14 H ATOM 232 CZ PHE 13 -11.295 -19.043 26.089 1.00 -0.11 C ATOM 233 HZ PHE 13 -10.886 -19.963 25.695 1.00 0.13 H TER 234 PHE 13 END
SEQUENCE	GWFDVVKHIAKRF
HELICITY	84.60	INSTAB. INDEX	84.88	FLEXIBILITY	9.59
a HYD. MOM.	59.93	b HYD. MOM.	24.04	c HYD. MOM	5.20
a MEAN HYD. MOM.	4.61	b MEAN HYD. MOM.	1.85	c MEAN HYD. MOM.	0.40
CHARGE pH5	2.98	CHARGE pH7	2.09	CHARGE pH9	1.77
Δ CHARGE pH5-pH9	1.21	ISOELECTRIC POINT	9.99	BOMAN INDEX	1.18
ΔG	7	CPP	-0,26	MLP	-5,54
MOLECULAR VOLUME		POLARITY
MIC E. coli	12	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	50	MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	2012
TITLE PAPER	Database screening and in vivo efficacy of antimicrobial peptides against methicillin-resistant Staphylococcus aureus USA300