Back to Resultset

ID	335	NAME	Temporin-1SPb   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\FLSAITSLLGKLL.pdb REMARK YASARA Written on: Wed May 14 16:53:24 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 212 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 PHE LEU SER ALA ILE THR SER LEU LEU GLY LYS LEU LEU ATOM 1 N PHE 1 -14.977 -6.710 13.089 1.00 -0.42 N ATOM 2 1H PHE 1 -15.177 -6.239 12.218 1.00 -0.42 H ATOM 3 2H PHE 1 -15.255 -6.123 13.864 1.00 -0.42 H ATOM 4 3H PHE 1 -13.986 -6.893 13.155 1.00 0.27 H ATOM 5 CA PHE 1 -15.725 -7.999 13.146 1.00 -0.00 C ATOM 6 HA PHE 1 -16.793 -7.791 13.104 1.00 0.10 H ATOM 7 C PHE 1 -15.404 -8.710 14.443 1.00 0.60 C ATOM 8 O PHE 1 -14.487 -8.277 15.125 1.00 -0.57 O ATOM 9 CB PHE 1 -15.334 -8.886 11.961 1.00 -0.03 C ATOM 10 1HB PHE 1 -14.284 -9.157 12.060 1.00 0.03 H ATOM 11 2HB PHE 1 -15.931 -9.797 11.987 1.00 0.03 H ATOM 12 CG PHE 1 -15.531 -8.221 10.630 1.00 0.01 C ATOM 13 CD1 PHE 1 -16.823 -8.076 10.090 1.00 -0.13 C ATOM 14 HD1 PHE 1 -17.681 -8.474 10.613 1.00 0.13 H ATOM 15 CD2 PHE 1 -14.427 -7.724 9.910 1.00 -0.13 C ATOM 16 HD2 PHE 1 -13.423 -7.848 10.295 1.00 0.13 H ATOM 17 CE1 PHE 1 -17.019 -7.418 8.851 1.00 -0.17 C ATOM 18 HE1 PHE 1 -18.016 -7.313 8.442 1.00 0.14 H ATOM 19 CE2 PHE 1 -14.609 -7.063 8.670 1.00 -0.17 C ATOM 20 HE2 PHE 1 -13.755 -6.686 8.123 1.00 0.14 H ATOM 21 CZ PHE 1 -15.910 -6.908 8.142 1.00 -0.11 C ATOM 22 HZ PHE 1 -16.054 -6.410 7.192 1.00 0.13 H ATOM 23 N LEU 2 -16.109 -9.783 14.788 1.00 -0.42 N ATOM 24 H LEU 2 -16.822 -10.151 14.173 1.00 0.27 H ATOM 25 CA LEU 2 -15.910 -10.458 16.078 1.00 -0.05 C ATOM 26 HA LEU 2 -16.002 -9.725 16.880 1.00 0.09 H ATOM 27 C LEU 2 -14.529 -11.092 16.207 1.00 0.60 C ATOM 28 O LEU 2 -13.983 -11.201 17.299 1.00 -0.57 O ATOM 29 CB LEU 2 -16.971 -11.547 16.277 1.00 -0.11 C ATOM 30 1HB LEU 2 -16.853 -12.278 15.477 1.00 0.05 H ATOM 31 2HB LEU 2 -16.750 -12.054 17.218 1.00 0.05 H ATOM 32 CG LEU 2 -18.448 -11.121 16.316 1.00 0.35 C ATOM 33 HG LEU 2 -18.678 -10.579 15.399 1.00 -0.04 H ATOM 34 CD1 LEU 2 -19.335 -12.358 16.368 1.00 -0.41 C ATOM 35 1HD1 LEU 2 -19.148 -12.995 15.503 1.00 0.10 H ATOM 36 2HD1 LEU 2 -19.141 -12.928 17.280 1.00 0.10 H ATOM 37 3HD1 LEU 2 -20.386 -12.061 16.356 1.00 0.10 H ATOM 38 CD2 LEU 2 -18.762 -10.213 17.503 1.00 -0.41 C ATOM 39 1HD2 LEU 2 -19.827 -9.969 17.510 1.00 0.10 H ATOM 40 2HD2 LEU 2 -18.514 -10.717 18.441 1.00 0.10 H ATOM 41 3HD2 LEU 2 -18.200 -9.284 17.435 1.00 0.10 H ATOM 42 N SER 3 -13.919 -11.407 15.073 1.00 -0.42 N ATOM 43 H SER 3 -14.392 -11.284 14.192 1.00 0.27 H ATOM 44 CA SER 3 -12.558 -11.933 15.005 1.00 -0.03 C ATOM 45 HA SER 3 -12.512 -12.876 15.551 1.00 0.08 H ATOM 46 C SER 3 -11.481 -11.011 15.577 1.00 0.60 C ATOM 47 O SER 3 -10.353 -11.438 15.784 1.00 -0.57 O ATOM 48 CB SER 3 -12.259 -12.202 13.534 1.00 0.21 C ATOM 49 1HB SER 3 -11.275 -11.807 13.277 1.00 0.04 H ATOM 50 2HB SER 3 -12.275 -13.278 13.356 1.00 0.04 H ATOM 51 OG SER 3 -13.262 -11.574 12.741 1.00 -0.65 O ATOM 52 HG SER 3 -13.114 -11.840 11.824 1.00 0.43 H ATOM 53 N ALA 4 -11.825 -9.773 15.908 1.00 -0.42 N ATOM 54 H ALA 4 -12.765 -9.449 15.724 1.00 0.27 H ATOM 55 CA ALA 4 -10.904 -8.880 16.603 1.00 0.03 C ATOM 56 HA ALA 4 -10.017 -8.737 15.984 1.00 0.08 H ATOM 57 C ALA 4 -10.456 -9.481 17.944 1.00 0.60 C ATOM 58 O ALA 4 -9.335 -9.237 18.390 1.00 -0.57 O ATOM 59 CB ALA 4 -11.575 -7.520 16.820 1.00 -0.18 C ATOM 60 1HB ALA 4 -12.472 -7.636 17.431 1.00 0.06 H ATOM 61 2HB ALA 4 -10.879 -6.852 17.334 1.00 0.06 H ATOM 62 3HB ALA 4 -11.841 -7.080 15.860 1.00 0.06 H ATOM 63 N ILE 5 -11.296 -10.295 18.574 1.00 -0.42 N ATOM 64 H ILE 5 -12.214 -10.496 18.185 1.00 0.27 H ATOM 65 CA ILE 5 -10.912 -10.902 19.847 1.00 -0.06 C ATOM 66 HA ILE 5 -10.526 -10.103 20.463 1.00 0.09 H ATOM 67 C ILE 5 -9.750 -11.888 19.681 1.00 0.60 C ATOM 68 O ILE 5 -8.798 -11.853 20.455 1.00 -0.57 O ATOM 69 CB ILE 5 -12.147 -11.488 20.606 1.00 0.13 C ATOM 70 HB ILE 5 -12.949 -10.753 20.528 1.00 0.02 H ATOM 71 CG1 ILE 5 -11.803 -11.640 22.097 1.00 -0.04 C ATOM 72 1HG1 ILE 5 -11.074 -12.444 22.206 1.00 0.02 H ATOM 73 2HG1 ILE 5 -11.338 -10.715 22.434 1.00 0.02 H ATOM 74 CG2 ILE 5 -12.666 -12.813 19.993 1.00 -0.32 C ATOM 75 1HG2 ILE 5 -11.977 -13.630 20.215 1.00 0.09 H ATOM 76 2HG2 ILE 5 -13.641 -13.055 20.416 1.00 0.09 H ATOM 77 3HG2 ILE 5 -12.781 -12.718 18.916 1.00 0.09 H ATOM 78 CD1 ILE 5 -12.984 -11.930 23.027 1.00 -0.07 C ATOM 79 1HD1 ILE 5 -13.745 -11.157 22.915 1.00 0.02 H ATOM 80 2HD1 ILE 5 -13.415 -12.905 22.802 1.00 0.02 H ATOM 81 3HD1 ILE 5 -12.632 -11.933 24.061 1.00 0.02 H ATOM 82 N THR 6 -9.751 -12.695 18.629 1.00 -0.42 N ATOM 83 H THR 6 -10.510 -12.672 17.963 1.00 0.27 H ATOM 84 CA THR 6 -8.670 -13.651 18.402 1.00 -0.04 C ATOM 85 HA THR 6 -8.302 -14.022 19.358 1.00 0.10 H ATOM 86 C THR 6 -7.504 -12.992 17.678 1.00 0.60 C ATOM 87 O THR 6 -6.372 -13.475 17.724 1.00 -0.57 O ATOM 88 CB THR 6 -9.171 -14.840 17.562 1.00 0.37 C ATOM 89 HB THR 6 -8.330 -15.476 17.285 1.00 0.00 H ATOM 90 OG1 THR 6 -9.828 -14.341 16.395 1.00 -0.68 O ATOM 91 HG1 THR 6 -9.953 -15.076 15.787 1.00 0.41 H ATOM 92 CG2 THR 6 -10.202 -15.663 18.317 1.00 -0.24 C ATOM 93 1HG2 THR 6 -9.799 -15.974 19.283 1.00 0.06 H ATOM 94 2HG2 THR 6 -11.112 -15.084 18.472 1.00 0.06 H ATOM 95 3HG2 THR 6 -10.446 -16.554 17.738 1.00 0.06 H ATOM 96 N SER 7 -7.761 -11.862 17.037 1.00 -0.42 N ATOM 97 H SER 7 -8.719 -11.547 16.947 1.00 0.27 H ATOM 98 CA SER 7 -6.690 -11.083 16.426 1.00 -0.03 C ATOM 99 HA SER 7 -6.051 -11.755 15.853 1.00 0.08 H ATOM 100 C SER 7 -5.851 -10.406 17.502 1.00 0.60 C ATOM 101 O SER 7 -4.625 -10.402 17.416 1.00 -0.57 O ATOM 102 CB SER 7 -7.253 -10.017 15.487 1.00 0.21 C ATOM 103 1HB SER 7 -7.860 -9.317 16.060 1.00 0.04 H ATOM 104 2HB SER 7 -6.429 -9.475 15.022 1.00 0.04 H ATOM 105 OG SER 7 -8.056 -10.614 14.482 1.00 -0.65 O ATOM 106 HG SER 7 -8.796 -11.074 14.905 1.00 0.43 H ATOM 107 N LEU 8 -6.499 -9.866 18.528 1.00 -0.42 N ATOM 108 H LEU 8 -7.513 -9.928 18.566 1.00 0.27 H ATOM 109 CA LEU 8 -5.793 -9.149 19.593 1.00 -0.05 C ATOM 110 HA LEU 8 -4.857 -9.670 19.794 1.00 0.09 H ATOM 111 C LEU 8 -6.516 -8.993 20.929 1.00 0.60 C ATOM 112 O LEU 8 -5.882 -9.059 21.965 1.00 -0.57 O ATOM 113 CB LEU 8 -5.459 -7.733 19.098 1.00 -0.11 C ATOM 114 1HB LEU 8 -5.720 -7.680 18.042 1.00 0.05 H ATOM 115 2HB LEU 8 -6.093 -7.021 19.626 1.00 0.05 H ATOM 116 CG LEU 8 -3.998 -7.269 19.237 1.00 0.35 C ATOM 117 HG LEU 8 -3.359 -8.000 18.744 1.00 -0.04 H ATOM 118 CD1 LEU 8 -3.833 -5.930 18.520 1.00 -0.41 C ATOM 119 1HD1 LEU 8 -2.790 -5.614 18.568 1.00 0.10 H ATOM 120 2HD1 LEU 8 -4.111 -6.036 17.471 1.00 0.10 H ATOM 121 3HD1 LEU 8 -4.461 -5.169 18.986 1.00 0.10 H ATOM 122 CD2 LEU 8 -3.528 -7.121 20.683 1.00 -0.41 C ATOM 123 1HD2 LEU 8 -2.504 -6.751 20.708 1.00 0.10 H ATOM 124 2HD2 LEU 8 -4.174 -6.429 21.223 1.00 0.10 H ATOM 125 3HD2 LEU 8 -3.552 -8.088 21.189 1.00 0.10 H ATOM 126 N LEU 9 -7.814 -8.727 20.939 1.00 -0.42 N ATOM 127 H LEU 9 -8.362 -8.777 20.086 1.00 0.27 H ATOM 128 CA LEU 9 -8.437 -8.234 22.174 1.00 -0.05 C ATOM 129 HA LEU 9 -7.823 -7.409 22.534 1.00 0.09 H ATOM 130 C LEU 9 -8.496 -9.243 23.321 1.00 0.60 C ATOM 131 O LEU 9 -8.449 -8.842 24.469 1.00 -0.57 O ATOM 132 CB LEU 9 -9.841 -7.682 21.910 1.00 -0.11 C ATOM 133 1HB LEU 9 -10.483 -8.506 21.627 1.00 0.05 H ATOM 134 2HB LEU 9 -10.223 -7.290 22.854 1.00 0.05 H ATOM 135 CG LEU 9 -9.986 -6.580 20.849 1.00 0.35 C ATOM 136 HG LEU 9 -9.573 -6.940 19.908 1.00 -0.04 H ATOM 137 CD1 LEU 9 -11.467 -6.286 20.627 1.00 -0.41 C ATOM 138 1HD1 LEU 9 -11.921 -5.918 21.550 1.00 0.10 H ATOM 139 2HD1 LEU 9 -11.579 -5.529 19.850 1.00 0.10 H ATOM 140 3HD1 LEU 9 -11.982 -7.193 20.311 1.00 0.10 H ATOM 141 CD2 LEU 9 -9.254 -5.293 21.232 1.00 -0.41 C ATOM 142 1HD2 LEU 9 -9.618 -4.925 22.194 1.00 0.10 H ATOM 143 2HD2 LEU 9 -8.182 -5.481 21.304 1.00 0.10 H ATOM 144 3HD2 LEU 9 -9.420 -4.532 20.469 1.00 0.10 H ATOM 145 N GLY 10 -8.530 -10.533 23.014 1.00 -0.42 N ATOM 146 H GLY 10 -8.542 -10.822 22.041 1.00 0.27 H ATOM 147 CA GLY 10 -8.525 -11.581 24.030 1.00 -0.03 C ATOM 148 1HA GLY 10 -8.913 -11.190 24.972 1.00 0.07 H ATOM 149 2HA GLY 10 -9.161 -12.401 23.704 1.00 0.07 H ATOM 150 C GLY 10 -7.129 -12.123 24.266 1.00 0.60 C ATOM 151 O GLY 10 -6.928 -13.282 24.626 1.00 -0.57 O ATOM 152 N LYS 11 -6.154 -11.288 23.932 1.00 -0.35 N ATOM 153 H LYS 11 -6.409 -10.369 23.590 1.00 0.28 H ATOM 154 CA LYS 11 -4.721 -11.579 24.043 1.00 -0.24 C ATOM 155 HA LYS 11 -4.549 -12.399 24.741 1.00 0.14 H ATOM 156 C LYS 11 -4.124 -10.287 24.594 1.00 0.73 C ATOM 157 O LYS 11 -3.002 -9.906 24.258 1.00 -0.59 O ATOM 158 CB LYS 11 -4.127 -11.896 22.663 1.00 -0.01 C ATOM 159 1HB LYS 11 -4.325 -11.048 22.013 1.00 0.04 H ATOM 160 2HB LYS 11 -3.046 -12.001 22.756 1.00 0.04 H ATOM 161 CG LYS 11 -4.679 -13.158 21.999 1.00 0.02 C ATOM 162 1HG LYS 11 -4.066 -14.014 22.284 1.00 0.01 H ATOM 163 2HG LYS 11 -5.693 -13.338 22.340 1.00 0.01 H ATOM 164 CD LYS 11 -4.729 -13.043 20.485 1.00 -0.05 C ATOM 165 1HD LYS 11 -5.276 -13.904 20.101 1.00 0.06 H ATOM 166 2HD LYS 11 -5.282 -12.143 20.218 1.00 0.06 H ATOM 167 CE LYS 11 -3.356 -13.008 19.824 1.00 -0.01 C ATOM 168 1HE LYS 11 -2.785 -12.157 20.203 1.00 0.11 H ATOM 169 2HE LYS 11 -2.825 -13.931 20.065 1.00 0.11 H ATOM 170 NZ LYS 11 -3.512 -12.887 18.336 1.00 -0.38 N ATOM 171 1HZ LYS 11 -2.634 -13.063 17.872 1.00 0.17 H ATOM 172 2HZ LYS 11 -4.215 -13.541 18.008 1.00 0.17 H ATOM 173 3HZ LYS 11 -3.826 -11.949 18.098 1.00 0.17 H ATOM 174 N LEU 12 -4.953 -9.569 25.338 1.00 -0.42 N ATOM 175 H LEU 12 -5.811 -10.012 25.682 1.00 0.27 H ATOM 176 CA LEU 12 -4.691 -8.187 25.747 1.00 -0.05 C ATOM 177 HA LEU 12 -3.634 -8.048 25.973 1.00 0.09 H ATOM 178 C LEU 12 -5.519 -7.940 26.998 1.00 0.60 C ATOM 179 O LEU 12 -5.033 -7.432 28.008 1.00 -0.57 O ATOM 180 CB LEU 12 -5.140 -7.219 24.644 1.00 -0.11 C ATOM 181 1HB LEU 12 -4.557 -7.435 23.749 1.00 0.05 H ATOM 182 2HB LEU 12 -6.180 -7.439 24.415 1.00 0.05 H ATOM 183 CG LEU 12 -5.046 -5.712 24.926 1.00 0.35 C ATOM 184 HG LEU 12 -5.594 -5.490 25.840 1.00 -0.04 H ATOM 185 CD1 LEU 12 -3.602 -5.242 25.101 1.00 -0.41 C ATOM 186 1HD1 LEU 12 -3.012 -5.499 24.221 1.00 0.10 H ATOM 187 2HD1 LEU 12 -3.581 -4.164 25.256 1.00 0.10 H ATOM 188 3HD1 LEU 12 -3.168 -5.723 25.979 1.00 0.10 H ATOM 189 CD2 LEU 12 -5.707 -4.936 23.785 1.00 -0.41 C ATOM 190 1HD2 LEU 12 -5.186 -5.127 22.848 1.00 0.10 H ATOM 191 2HD2 LEU 12 -6.749 -5.246 23.693 1.00 0.10 H ATOM 192 3HD2 LEU 12 -5.680 -3.870 24.006 1.00 0.10 H ATOM 193 N LEU 13 -6.766 -8.374 26.900 1.00 -0.42 N ATOM 194 H LEU 13 -7.128 -8.674 26.002 1.00 0.27 H ATOM 195 CA LEU 13 -7.644 -8.626 28.031 1.00 -0.05 C ATOM 196 HA LEU 13 -7.154 -8.383 28.972 1.00 0.09 H ATOM 197 C LEU 13 -7.866 -10.130 27.926 1.00 0.60 C ATOM 198 O LEU 13 -8.654 -10.710 28.696 1.00 -0.57 O ATOM 199 OXT LEU 13 -7.236 -10.691 26.993 1.00 -0.57 O ATOM 200 CB LEU 13 -8.962 -7.857 27.870 1.00 -0.11 C ATOM 201 1HB LEU 13 -9.431 -8.209 26.952 1.00 0.05 H ATOM 202 2HB LEU 13 -9.613 -8.135 28.698 1.00 0.05 H ATOM 203 CG LEU 13 -8.881 -6.326 27.802 1.00 0.35 C ATOM 204 HG LEU 13 -8.229 -6.042 26.976 1.00 -0.04 H ATOM 205 CD1 LEU 13 -10.270 -5.763 27.519 1.00 -0.41 C ATOM 206 1HD1 LEU 13 -10.640 -6.173 26.580 1.00 0.10 H ATOM 207 2HD1 LEU 13 -10.953 -6.033 28.325 1.00 0.10 H ATOM 208 3HD1 LEU 13 -10.215 -4.678 27.434 1.00 0.10 H ATOM 209 CD2 LEU 13 -8.326 -5.716 29.085 1.00 -0.41 C ATOM 210 1HD2 LEU 13 -8.922 -6.034 29.940 1.00 0.10 H ATOM 211 2HD2 LEU 13 -7.295 -6.051 29.222 1.00 0.10 H ATOM 212 3HD2 LEU 13 -8.329 -4.631 29.012 1.00 0.10 H TER 213 LEU 13 END
SEQUENCE	FLSAITSLLGKLL
HELICITY	92.30	INSTAB. INDEX	-3.83	FLEXIBILITY	13.95
a HYD. MOM.	60.91	b HYD. MOM.	21.49	c HYD. MOM	3.74
a MEAN HYD. MOM.	4.69	b MEAN HYD. MOM.	1.65	c MEAN HYD. MOM.	0.29
CHARGE pH5	1.00	CHARGE pH7	1.00	CHARGE pH9	0.80
Δ CHARGE pH5-pH9	0.20	ISOELECTRIC POINT	8.75	BOMAN INDEX	-1.56
ΔG	-3,46	CPP	-0,15	MLP	-0,67
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 septentrionalis
DATE	2004
TITLE PAPER	Purification and characterization of antimicrobial peptides from the skin secretions of the mink frog (Rana septentrionalis)