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ID	326	NAME	Temporin-1Od   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\FLPLLASLFSGLF.pdb REMARK YASARA Written on: Wed May 14 16:28:16 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 211 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 PHE LEU PRO LEU LEU ALA SER LEU PHE SER GLY LEU PHE ATOM 1 N PHE 1 -2.723 -3.717 18.525 1.00 -0.42 N ATOM 2 1H PHE 1 -2.624 -2.743 18.775 1.00 -0.42 H ATOM 3 2H PHE 1 -3.047 -3.787 17.570 1.00 -0.42 H ATOM 4 3H PHE 1 -3.396 -4.156 19.138 1.00 0.27 H ATOM 5 CA PHE 1 -1.409 -4.403 18.651 1.00 -0.00 C ATOM 6 HA PHE 1 -0.723 -3.902 17.967 1.00 0.10 H ATOM 7 C PHE 1 -1.528 -5.833 18.132 1.00 0.60 C ATOM 8 O PHE 1 -1.330 -6.035 16.947 1.00 -0.57 O ATOM 9 CB PHE 1 -0.804 -4.245 20.068 1.00 -0.03 C ATOM 10 1HB PHE 1 0.187 -4.698 20.075 1.00 0.03 H ATOM 11 2HB PHE 1 -0.689 -3.180 20.267 1.00 0.03 H ATOM 12 CG PHE 1 -1.623 -4.847 21.193 1.00 0.01 C ATOM 13 CD1 PHE 1 -1.206 -6.048 21.803 1.00 -0.13 C ATOM 14 HD1 PHE 1 -0.277 -6.516 21.502 1.00 0.13 H ATOM 15 CD2 PHE 1 -2.795 -4.220 21.663 1.00 -0.13 C ATOM 16 HD2 PHE 1 -3.100 -3.262 21.269 1.00 0.13 H ATOM 17 CE1 PHE 1 -1.990 -6.666 22.806 1.00 -0.17 C ATOM 18 HE1 PHE 1 -1.666 -7.596 23.254 1.00 0.14 H ATOM 19 CE2 PHE 1 -3.586 -4.826 22.673 1.00 -0.17 C ATOM 20 HE2 PHE 1 -4.488 -4.342 23.022 1.00 0.14 H ATOM 21 CZ PHE 1 -3.190 -6.058 23.232 1.00 -0.11 C ATOM 22 HZ PHE 1 -3.794 -6.527 23.997 1.00 0.13 H ATOM 23 N LEU 2 -1.940 -6.803 18.938 1.00 -0.42 N ATOM 24 H LEU 2 -2.068 -6.628 19.925 1.00 0.27 H ATOM 25 CA LEU 2 -2.297 -8.130 18.446 1.00 -0.05 C ATOM 26 HA LEU 2 -1.464 -8.564 17.893 1.00 0.09 H ATOM 27 C LEU 2 -3.517 -7.924 17.541 1.00 0.60 C ATOM 28 O LEU 2 -4.408 -7.155 17.921 1.00 -0.57 O ATOM 29 CB LEU 2 -2.660 -8.995 19.660 1.00 -0.11 C ATOM 30 1HB LEU 2 -1.829 -8.945 20.363 1.00 0.05 H ATOM 31 2HB LEU 2 -3.518 -8.524 20.142 1.00 0.05 H ATOM 32 CG LEU 2 -3.005 -10.478 19.467 1.00 0.35 C ATOM 33 HG LEU 2 -3.773 -10.561 18.701 1.00 -0.04 H ATOM 34 CD1 LEU 2 -1.797 -11.309 19.045 1.00 -0.41 C ATOM 35 1HD1 LEU 2 -1.032 -11.289 19.824 1.00 0.10 H ATOM 36 2HD1 LEU 2 -2.105 -12.345 18.885 1.00 0.10 H ATOM 37 3HD1 LEU 2 -1.369 -10.931 18.120 1.00 0.10 H ATOM 38 CD2 LEU 2 -3.562 -11.026 20.775 1.00 -0.41 C ATOM 39 1HD2 LEU 2 -3.828 -12.078 20.654 1.00 0.10 H ATOM 40 2HD2 LEU 2 -2.824 -10.944 21.575 1.00 0.10 H ATOM 41 3HD2 LEU 2 -4.464 -10.483 21.061 1.00 0.10 H ATOM 42 N PRO 3 -3.587 -8.568 16.359 1.00 -0.25 N ATOM 43 CA PRO 3 -4.765 -8.261 15.534 1.00 -0.03 C ATOM 44 HA PRO 3 -4.875 -7.183 15.416 1.00 0.06 H ATOM 45 C PRO 3 -6.072 -8.827 16.084 1.00 0.59 C ATOM 46 O PRO 3 -7.151 -8.326 15.779 1.00 -0.57 O ATOM 47 CB PRO 3 -4.407 -8.889 14.185 1.00 -0.01 C ATOM 48 1HB PRO 3 -5.302 -9.207 13.650 1.00 0.03 H ATOM 49 2HB PRO 3 -3.834 -8.183 13.583 1.00 0.03 H ATOM 50 CG PRO 3 -3.554 -10.047 14.546 1.00 0.02 C ATOM 51 1HG PRO 3 -4.172 -10.873 14.902 1.00 0.02 H ATOM 52 2HG PRO 3 -2.945 -10.363 13.698 1.00 0.02 H ATOM 53 CD PRO 3 -2.690 -9.512 15.663 1.00 0.02 C ATOM 54 1HD PRO 3 -2.377 -10.321 16.318 1.00 0.04 H ATOM 55 2HD PRO 3 -1.826 -8.980 15.258 1.00 0.04 H ATOM 56 N LEU 4 -5.974 -9.807 16.974 1.00 -0.42 N ATOM 57 H LEU 4 -5.069 -10.181 17.206 1.00 0.27 H ATOM 58 CA LEU 4 -7.143 -10.385 17.631 1.00 -0.05 C ATOM 59 HA LEU 4 -7.868 -10.654 16.866 1.00 0.09 H ATOM 60 C LEU 4 -7.832 -9.403 18.570 1.00 0.60 C ATOM 61 O LEU 4 -8.950 -9.637 18.986 1.00 -0.57 O ATOM 62 CB LEU 4 -6.764 -11.655 18.401 1.00 -0.11 C ATOM 63 1HB LEU 4 -6.026 -11.384 19.152 1.00 0.05 H ATOM 64 2HB LEU 4 -7.652 -12.006 18.927 1.00 0.05 H ATOM 65 CG LEU 4 -6.215 -12.830 17.576 1.00 0.35 C ATOM 66 HG LEU 4 -5.382 -12.470 16.972 1.00 -0.04 H ATOM 67 CD1 LEU 4 -5.684 -13.915 18.498 1.00 -0.41 C ATOM 68 1HD1 LEU 4 -6.487 -14.303 19.133 1.00 0.10 H ATOM 69 2HD1 LEU 4 -5.282 -14.741 17.912 1.00 0.10 H ATOM 70 3HD1 LEU 4 -4.895 -13.523 19.134 1.00 0.10 H ATOM 71 CD2 LEU 4 -7.272 -13.420 16.640 1.00 -0.41 C ATOM 72 1HD2 LEU 4 -7.586 -12.679 15.905 1.00 0.10 H ATOM 73 2HD2 LEU 4 -6.860 -14.280 16.112 1.00 0.10 H ATOM 74 3HD2 LEU 4 -8.142 -13.746 17.216 1.00 0.10 H ATOM 75 N LEU 5 -7.227 -8.250 18.826 1.00 -0.42 N ATOM 76 H LEU 5 -6.296 -8.078 18.477 1.00 0.27 H ATOM 77 CA LEU 5 -7.922 -7.187 19.549 1.00 -0.05 C ATOM 78 HA LEU 5 -8.236 -7.562 20.523 1.00 0.09 H ATOM 79 C LEU 5 -9.172 -6.754 18.777 1.00 0.60 C ATOM 80 O LEU 5 -10.204 -6.479 19.368 1.00 -0.57 O ATOM 81 CB LEU 5 -6.986 -5.987 19.731 1.00 -0.11 C ATOM 82 1HB LEU 5 -6.072 -6.338 20.209 1.00 0.05 H ATOM 83 2HB LEU 5 -6.726 -5.621 18.738 1.00 0.05 H ATOM 84 CG LEU 5 -7.525 -4.795 20.541 1.00 0.35 C ATOM 85 HG LEU 5 -8.464 -4.467 20.102 1.00 -0.04 H ATOM 86 CD1 LEU 5 -7.770 -5.150 22.007 1.00 -0.41 C ATOM 87 1HD1 LEU 5 -8.107 -4.265 22.549 1.00 0.10 H ATOM 88 2HD1 LEU 5 -8.557 -5.903 22.076 1.00 0.10 H ATOM 89 3HD1 LEU 5 -6.861 -5.533 22.469 1.00 0.10 H ATOM 90 CD2 LEU 5 -6.534 -3.636 20.447 1.00 -0.41 C ATOM 91 1HD2 LEU 5 -5.576 -3.925 20.868 1.00 0.10 H ATOM 92 2HD2 LEU 5 -6.418 -3.340 19.405 1.00 0.10 H ATOM 93 3HD2 LEU 5 -6.929 -2.783 21.003 1.00 0.10 H ATOM 94 N ALA 6 -9.095 -6.728 17.452 1.00 -0.42 N ATOM 95 H ALA 6 -8.236 -6.991 16.986 1.00 0.27 H ATOM 96 CA ALA 6 -10.255 -6.366 16.641 1.00 0.03 C ATOM 97 HA ALA 6 -10.771 -5.528 17.110 1.00 0.08 H ATOM 98 C ALA 6 -11.224 -7.550 16.560 1.00 0.60 C ATOM 99 O ALA 6 -12.443 -7.393 16.561 1.00 -0.57 O ATOM 100 CB ALA 6 -9.794 -5.949 15.240 1.00 -0.18 C ATOM 101 1HB ALA 6 -10.665 -5.683 14.638 1.00 0.06 H ATOM 102 2HB ALA 6 -9.135 -5.084 15.312 1.00 0.06 H ATOM 103 3HB ALA 6 -9.263 -6.772 14.756 1.00 0.06 H ATOM 104 N SER 7 -10.669 -8.751 16.500 1.00 -0.42 N ATOM 105 H SER 7 -9.664 -8.844 16.516 1.00 0.27 H ATOM 106 CA SER 7 -11.476 -9.964 16.384 1.00 -0.03 C ATOM 107 HA SER 7 -12.187 -9.829 15.569 1.00 0.08 H ATOM 108 C SER 7 -12.265 -10.257 17.658 1.00 0.60 C ATOM 109 O SER 7 -13.317 -10.892 17.611 1.00 -0.57 O ATOM 110 CB SER 7 -10.563 -11.137 16.049 1.00 0.21 C ATOM 111 1HB SER 7 -9.938 -11.359 16.914 1.00 0.04 H ATOM 112 2HB SER 7 -11.165 -12.013 15.811 1.00 0.04 H ATOM 113 OG SER 7 -9.734 -10.797 14.948 1.00 -0.65 O ATOM 114 HG SER 7 -10.283 -10.746 14.161 1.00 0.43 H ATOM 115 N LEU 8 -11.817 -9.712 18.779 1.00 -0.42 N ATOM 116 H LEU 8 -10.937 -9.210 18.762 1.00 0.27 H ATOM 117 CA LEU 8 -12.498 -9.841 20.063 1.00 -0.05 C ATOM 118 HA LEU 8 -12.547 -10.895 20.338 1.00 0.09 H ATOM 119 C LEU 8 -13.917 -9.295 19.993 1.00 0.60 C ATOM 120 O LEU 8 -14.835 -9.853 20.587 1.00 -0.57 O ATOM 121 CB LEU 8 -11.695 -9.070 21.116 1.00 -0.11 C ATOM 122 1HB LEU 8 -10.680 -9.465 21.108 1.00 0.05 H ATOM 123 2HB LEU 8 -11.647 -8.033 20.790 1.00 0.05 H ATOM 124 CG LEU 8 -12.181 -9.058 22.573 1.00 0.35 C ATOM 125 HG LEU 8 -13.182 -8.632 22.604 1.00 -0.04 H ATOM 126 CD1 LEU 8 -12.233 -10.445 23.199 1.00 -0.41 C ATOM 127 1HD1 LEU 8 -11.262 -10.938 23.113 1.00 0.10 H ATOM 128 2HD1 LEU 8 -12.509 -10.370 24.250 1.00 0.10 H ATOM 129 3HD1 LEU 8 -12.986 -11.046 22.690 1.00 0.10 H ATOM 130 CD2 LEU 8 -11.257 -8.156 23.392 1.00 -0.41 C ATOM 131 1HD2 LEU 8 -11.624 -8.087 24.416 1.00 0.10 H ATOM 132 2HD2 LEU 8 -10.243 -8.559 23.396 1.00 0.10 H ATOM 133 3HD2 LEU 8 -11.245 -7.154 22.958 1.00 0.10 H ATOM 134 N PHE 9 -14.127 -8.246 19.210 1.00 -0.42 N ATOM 135 H PHE 9 -13.351 -7.822 18.716 1.00 0.27 H ATOM 136 CA PHE 9 -15.462 -7.671 19.050 1.00 -0.00 C ATOM 137 HA PHE 9 -15.898 -7.544 20.041 1.00 0.10 H ATOM 138 C PHE 9 -16.406 -8.566 18.245 1.00 0.60 C ATOM 139 O PHE 9 -17.620 -8.412 18.309 1.00 -0.57 O ATOM 140 CB PHE 9 -15.341 -6.292 18.403 1.00 -0.03 C ATOM 141 1HB PHE 9 -14.971 -6.411 17.385 1.00 0.03 H ATOM 142 2HB PHE 9 -16.332 -5.841 18.360 1.00 0.03 H ATOM 143 CG PHE 9 -14.417 -5.365 19.149 1.00 0.01 C ATOM 144 CD1 PHE 9 -13.256 -4.867 18.533 1.00 -0.13 C ATOM 145 HD1 PHE 9 -13.043 -5.119 17.505 1.00 0.13 H ATOM 146 CD2 PHE 9 -14.689 -5.007 20.484 1.00 -0.13 C ATOM 147 HD2 PHE 9 -15.585 -5.368 20.968 1.00 0.13 H ATOM 148 CE1 PHE 9 -12.348 -4.046 19.248 1.00 -0.17 C ATOM 149 HE1 PHE 9 -11.450 -3.686 18.769 1.00 0.14 H ATOM 150 CE2 PHE 9 -13.791 -4.187 21.213 1.00 -0.17 C ATOM 151 HE2 PHE 9 -14.006 -3.928 22.239 1.00 0.14 H ATOM 152 CZ PHE 9 -12.615 -3.711 20.593 1.00 -0.11 C ATOM 153 HZ PHE 9 -11.921 -3.095 21.146 1.00 0.13 H ATOM 154 N SER 10 -15.847 -9.531 17.526 1.00 -0.42 N ATOM 155 H SER 10 -14.837 -9.597 17.492 1.00 0.27 H ATOM 156 CA SER 10 -16.630 -10.553 16.823 1.00 -0.03 C ATOM 157 HA SER 10 -17.658 -10.205 16.725 1.00 0.08 H ATOM 158 C SER 10 -16.659 -11.864 17.611 1.00 0.60 C ATOM 159 O SER 10 -17.205 -12.859 17.148 1.00 -0.57 O ATOM 160 CB SER 10 -16.082 -10.787 15.409 1.00 0.21 C ATOM 161 1HB SER 10 -16.739 -11.486 14.889 1.00 0.04 H ATOM 162 2HB SER 10 -16.095 -9.838 14.873 1.00 0.04 H ATOM 163 OG SER 10 -14.759 -11.303 15.386 1.00 -0.65 O ATOM 164 HG SER 10 -14.349 -11.189 16.258 1.00 0.43 H ATOM 165 N GLY 11 -16.081 -11.861 18.806 1.00 -0.42 N ATOM 166 H GLY 11 -15.656 -11.013 19.166 1.00 0.27 H ATOM 167 CA GLY 11 -16.070 -13.044 19.655 1.00 -0.03 C ATOM 168 1HA GLY 11 -15.960 -12.722 20.690 1.00 0.07 H ATOM 169 2HA GLY 11 -17.028 -13.554 19.558 1.00 0.07 H ATOM 170 C GLY 11 -14.977 -14.051 19.358 1.00 0.60 C ATOM 171 O GLY 11 -15.096 -15.207 19.751 1.00 -0.57 O ATOM 172 N LEU 12 -13.929 -13.635 18.659 1.00 -0.42 N ATOM 173 H LEU 12 -13.860 -12.664 18.376 1.00 0.27 H ATOM 174 CA LEU 12 -12.838 -14.529 18.265 1.00 -0.05 C ATOM 175 HA LEU 12 -13.008 -15.527 18.666 1.00 0.09 H ATOM 176 C LEU 12 -11.527 -13.991 18.819 1.00 0.60 C ATOM 177 O LEU 12 -11.241 -12.810 18.669 1.00 -0.57 O ATOM 178 CB LEU 12 -12.759 -14.592 16.736 1.00 -0.11 C ATOM 179 1HB LEU 12 -12.556 -13.584 16.380 1.00 0.05 H ATOM 180 2HB LEU 12 -11.909 -15.219 16.468 1.00 0.05 H ATOM 181 CG LEU 12 -13.995 -15.104 15.977 1.00 0.35 C ATOM 182 HG LEU 12 -14.858 -14.508 16.267 1.00 -0.04 H ATOM 183 CD1 LEU 12 -13.781 -14.917 14.476 1.00 -0.41 C ATOM 184 1HD1 LEU 12 -14.668 -15.252 13.938 1.00 0.10 H ATOM 185 2HD1 LEU 12 -13.628 -13.859 14.261 1.00 0.10 H ATOM 186 3HD1 LEU 12 -12.914 -15.488 14.143 1.00 0.10 H ATOM 187 CD2 LEU 12 -14.302 -16.572 16.275 1.00 -0.41 C ATOM 188 1HD2 LEU 12 -15.164 -16.893 15.692 1.00 0.10 H ATOM 189 2HD2 LEU 12 -13.441 -17.197 16.034 1.00 0.10 H ATOM 190 3HD2 LEU 12 -14.545 -16.685 17.334 1.00 0.10 H ATOM 191 N PHE 13 -10.745 -14.827 19.480 1.00 -0.42 N ATOM 192 H PHE 13 -10.975 -15.813 19.575 1.00 0.27 H ATOM 193 CA PHE 13 -9.511 -14.424 20.145 1.00 -0.00 C ATOM 194 HA PHE 13 -8.890 -13.817 19.493 1.00 0.10 H ATOM 195 C PHE 13 -8.844 -15.765 20.401 1.00 0.60 C ATOM 196 O PHE 13 -7.701 -15.820 20.892 1.00 -0.57 O ATOM 197 OXT PHE 13 -9.530 -16.761 20.072 1.00 -0.57 O ATOM 198 CB PHE 13 -9.810 -13.679 21.455 1.00 -0.03 C ATOM 199 1HB PHE 13 -8.902 -13.641 22.056 1.00 0.03 H ATOM 200 2HB PHE 13 -10.101 -12.658 21.209 1.00 0.03 H ATOM 201 CG PHE 13 -10.921 -14.298 22.264 1.00 0.01 C ATOM 202 CD1 PHE 13 -12.245 -13.841 22.117 1.00 -0.13 C ATOM 203 HD1 PHE 13 -12.459 -13.044 21.420 1.00 0.13 H ATOM 204 CD2 PHE 13 -10.657 -15.346 23.162 1.00 -0.13 C ATOM 205 HD2 PHE 13 -9.646 -15.716 23.269 1.00 0.13 H ATOM 206 CE1 PHE 13 -13.304 -14.422 22.855 1.00 -0.17 C ATOM 207 HE1 PHE 13 -14.316 -14.070 22.719 1.00 0.14 H ATOM 208 CE2 PHE 13 -11.704 -15.937 23.916 1.00 -0.17 C ATOM 209 HE2 PHE 13 -11.487 -16.746 24.597 1.00 0.14 H ATOM 210 CZ PHE 13 -13.032 -15.473 23.759 1.00 -0.11 C ATOM 211 HZ PHE 13 -13.834 -15.925 24.322 1.00 0.13 H TER 212 PHE 13 END
SEQUENCE	FLPLLASLFSGLF
HELICITY	92.30	INSTAB. INDEX	24.05	FLEXIBILITY	13.84
a HYD. MOM.	52.91	b HYD. MOM.	18.07	c HYD. MOM	2.89
a MEAN HYD. MOM.	4.07	b MEAN HYD. MOM.	1.39	c MEAN HYD. MOM.	0.22
CHARGE pH5	0.00	CHARGE pH7	0.00	CHARGE pH9	-0.17
Δ CHARGE pH5-pH9	0.17	ISOELECTRIC POINT	5.52	BOMAN INDEX	-2.27
ΔG	-8,67	CPP	-0,51	MLP	3
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	13	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 ornativentris
DATE	2001
TITLE PAPER	Antimicrobial peptides from the skin of the Japanese mountain brown frog, Rana ornativentris