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ID	390	NAME	Temporin D   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\LLPIVGNLLNSLL.pdb REMARK YASARA Written on: Wed May 14 16:35:31 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 LEU LEU PRO ILE VAL GLY ASN LEU LEU ASN SER LEU LEU ATOM 1 N LEU 1 -10.883 -9.805 29.150 1.00 -0.42 N ATOM 2 1H LEU 1 -11.189 -10.729 29.419 1.00 -0.42 H ATOM 3 2H LEU 1 -10.724 -9.245 29.976 1.00 -0.42 H ATOM 4 3H LEU 1 -11.597 -9.360 28.590 1.00 0.27 H ATOM 5 CA LEU 1 -9.621 -9.895 28.358 1.00 -0.05 C ATOM 6 HA LEU 1 -8.835 -10.334 28.971 1.00 0.09 H ATOM 7 C LEU 1 -9.205 -8.504 27.945 1.00 0.60 C ATOM 8 O LEU 1 -10.006 -7.598 28.112 1.00 -0.57 O ATOM 9 CB LEU 1 -9.838 -10.751 27.100 1.00 -0.11 C ATOM 10 1HB LEU 1 -10.631 -10.283 26.515 1.00 0.05 H ATOM 11 2HB LEU 1 -8.927 -10.725 26.503 1.00 0.05 H ATOM 12 CG LEU 1 -10.216 -12.225 27.321 1.00 0.35 C ATOM 13 HG LEU 1 -11.088 -12.263 27.973 1.00 -0.04 H ATOM 14 CD1 LEU 1 -10.589 -12.882 25.999 1.00 -0.41 C ATOM 15 1HD1 LEU 1 -9.738 -12.889 25.317 1.00 0.10 H ATOM 16 2HD1 LEU 1 -10.903 -13.914 26.175 1.00 0.10 H ATOM 17 3HD1 LEU 1 -11.421 -12.351 25.533 1.00 0.10 H ATOM 18 CD2 LEU 1 -9.087 -13.019 27.984 1.00 -0.41 C ATOM 19 1HD2 LEU 1 -9.391 -14.064 28.089 1.00 0.10 H ATOM 20 2HD2 LEU 1 -8.183 -12.985 27.371 1.00 0.10 H ATOM 21 3HD2 LEU 1 -8.868 -12.636 28.979 1.00 0.10 H ATOM 22 N LEU 2 -8.001 -8.312 27.421 1.00 -0.42 N ATOM 23 H LEU 2 -7.352 -9.078 27.321 1.00 0.27 H ATOM 24 CA LEU 2 -7.614 -7.003 26.895 1.00 -0.05 C ATOM 25 HA LEU 2 -7.803 -6.231 27.641 1.00 0.09 H ATOM 26 C LEU 2 -8.480 -6.755 25.658 1.00 0.60 C ATOM 27 O LEU 2 -8.808 -7.714 24.959 1.00 -0.57 O ATOM 28 CB LEU 2 -6.135 -7.003 26.490 1.00 -0.11 C ATOM 29 1HB LEU 2 -5.993 -7.811 25.774 1.00 0.05 H ATOM 30 2HB LEU 2 -5.928 -6.065 25.975 1.00 0.05 H ATOM 31 CG LEU 2 -5.079 -7.165 27.593 1.00 0.35 C ATOM 32 HG LEU 2 -5.291 -8.079 28.147 1.00 -0.04 H ATOM 33 CD1 LEU 2 -3.702 -7.300 26.955 1.00 -0.41 C ATOM 34 1HD1 LEU 2 -3.447 -6.397 26.397 1.00 0.10 H ATOM 35 2HD1 LEU 2 -2.951 -7.457 27.732 1.00 0.10 H ATOM 36 3HD1 LEU 2 -3.680 -8.158 26.281 1.00 0.10 H ATOM 37 CD2 LEU 2 -5.081 -5.992 28.573 1.00 -0.41 C ATOM 38 1HD2 LEU 2 -4.295 -6.136 29.317 1.00 0.10 H ATOM 39 2HD2 LEU 2 -4.897 -5.054 28.046 1.00 0.10 H ATOM 40 3HD2 LEU 2 -6.035 -5.934 29.095 1.00 0.10 H ATOM 41 N PRO 3 -8.827 -5.494 25.341 1.00 -0.25 N ATOM 42 CA PRO 3 -9.711 -5.312 24.178 1.00 -0.03 C ATOM 43 HA PRO 3 -10.595 -5.943 24.272 1.00 0.06 H ATOM 44 C PRO 3 -9.051 -5.600 22.830 1.00 0.59 C ATOM 45 O PRO 3 -9.725 -5.766 21.816 1.00 -0.57 O ATOM 46 CB PRO 3 -10.117 -3.841 24.294 1.00 -0.01 C ATOM 47 1HB PRO 3 -10.325 -3.412 23.314 1.00 0.03 H ATOM 48 2HB PRO 3 -10.985 -3.741 24.946 1.00 0.03 H ATOM 49 CG PRO 3 -8.939 -3.196 24.926 1.00 0.02 C ATOM 50 1HG PRO 3 -8.149 -3.052 24.189 1.00 0.02 H ATOM 51 2HG PRO 3 -9.214 -2.246 25.384 1.00 0.02 H ATOM 52 CD PRO 3 -8.514 -4.197 25.974 1.00 0.02 C ATOM 53 1HD PRO 3 -7.448 -4.103 26.183 1.00 0.04 H ATOM 54 2HD PRO 3 -9.103 -4.071 26.885 1.00 0.04 H ATOM 55 N ILE 4 -7.732 -5.743 22.830 1.00 -0.42 N ATOM 56 H ILE 4 -7.223 -5.618 23.688 1.00 0.27 H ATOM 57 CA ILE 4 -6.971 -6.084 21.630 1.00 -0.06 C ATOM 58 HA ILE 4 -7.194 -5.335 20.871 1.00 0.09 H ATOM 59 C ILE 4 -7.353 -7.439 21.032 1.00 0.60 C ATOM 60 O ILE 4 -7.088 -7.689 19.860 1.00 -0.57 O ATOM 61 CB ILE 4 -5.436 -6.035 21.907 1.00 0.13 C ATOM 62 HB ILE 4 -4.913 -6.174 20.959 1.00 0.02 H ATOM 63 CG1 ILE 4 -4.982 -7.140 22.882 1.00 -0.04 C ATOM 64 1HG1 ILE 4 -4.268 -6.706 23.583 1.00 0.02 H ATOM 65 2HG1 ILE 4 -5.836 -7.493 23.456 1.00 0.02 H ATOM 66 CG2 ILE 4 -5.039 -4.651 22.476 1.00 -0.32 C ATOM 67 1HG2 ILE 4 -5.406 -3.861 21.818 1.00 0.09 H ATOM 68 2HG2 ILE 4 -5.438 -4.500 23.479 1.00 0.09 H ATOM 69 3HG2 ILE 4 -3.950 -4.577 22.518 1.00 0.09 H ATOM 70 CD1 ILE 4 -4.309 -8.346 22.222 1.00 -0.07 C ATOM 71 1HD1 ILE 4 -4.012 -9.062 22.989 1.00 0.02 H ATOM 72 2HD1 ILE 4 -4.999 -8.831 21.531 1.00 0.02 H ATOM 73 3HD1 ILE 4 -3.421 -8.023 21.675 1.00 0.02 H ATOM 74 N VAL 5 -8.049 -8.291 21.776 1.00 -0.42 N ATOM 75 H VAL 5 -8.292 -8.061 22.731 1.00 0.27 H ATOM 76 CA VAL 5 -8.492 -9.568 21.218 1.00 -0.09 C ATOM 77 HA VAL 5 -7.629 -10.031 20.744 1.00 0.10 H ATOM 78 C VAL 5 -9.543 -9.367 20.127 1.00 0.60 C ATOM 79 O VAL 5 -9.728 -10.233 19.281 1.00 -0.57 O ATOM 80 CB VAL 5 -9.011 -10.552 22.304 1.00 0.30 C ATOM 81 HB VAL 5 -9.221 -11.506 21.823 1.00 -0.03 H ATOM 82 CG1 VAL 5 -7.925 -10.785 23.371 1.00 -0.32 C ATOM 83 1HG1 VAL 5 -8.240 -11.586 24.038 1.00 0.08 H ATOM 84 2HG1 VAL 5 -6.994 -11.087 22.889 1.00 0.08 H ATOM 85 3HG1 VAL 5 -7.751 -9.882 23.952 1.00 0.08 H ATOM 86 CG2 VAL 5 -10.311 -10.059 22.965 1.00 -0.32 C ATOM 87 1HG2 VAL 5 -11.111 -10.023 22.224 1.00 0.08 H ATOM 88 2HG2 VAL 5 -10.611 -10.756 23.746 1.00 0.08 H ATOM 89 3HG2 VAL 5 -10.182 -9.070 23.398 1.00 0.08 H ATOM 90 N GLY 6 -10.177 -8.200 20.079 1.00 -0.42 N ATOM 91 H GLY 6 -10.011 -7.491 20.789 1.00 0.27 H ATOM 92 CA GLY 6 -11.098 -7.907 18.994 1.00 -0.03 C ATOM 93 1HA GLY 6 -11.796 -8.737 18.880 1.00 0.07 H ATOM 94 2HA GLY 6 -11.656 -7.000 19.222 1.00 0.07 H ATOM 95 C GLY 6 -10.353 -7.713 17.688 1.00 0.60 C ATOM 96 O GLY 6 -10.847 -8.054 16.623 1.00 -0.57 O ATOM 97 N ASN 7 -9.124 -7.218 17.757 1.00 -0.42 N ATOM 98 H ASN 7 -8.720 -6.991 18.655 1.00 0.27 H ATOM 99 CA ASN 7 -8.310 -7.055 16.555 1.00 0.01 C ATOM 100 HA ASN 7 -8.945 -6.734 15.730 1.00 0.10 H ATOM 101 C ASN 7 -7.688 -8.390 16.169 1.00 0.60 C ATOM 102 O ASN 7 -7.513 -8.669 14.994 1.00 -0.57 O ATOM 103 CB ASN 7 -7.208 -6.016 16.777 1.00 -0.20 C ATOM 104 1HB ASN 7 -7.658 -5.053 17.015 1.00 0.08 H ATOM 105 2HB ASN 7 -6.586 -6.333 17.611 1.00 0.08 H ATOM 106 CG ASN 7 -6.308 -5.860 15.573 1.00 0.71 C ATOM 107 OD1 ASN 7 -5.108 -6.025 15.680 1.00 -0.59 O ATOM 108 ND2 ASN 7 -6.865 -5.534 14.437 1.00 -0.92 N ATOM 109 1HD2 ASN 7 -6.276 -5.459 13.626 1.00 0.42 H ATOM 110 2HD2 ASN 7 -7.857 -5.395 14.369 1.00 0.42 H ATOM 111 N LEU 8 -7.424 -9.247 17.146 1.00 -0.42 N ATOM 112 H LEU 8 -7.538 -8.964 18.110 1.00 0.27 H ATOM 113 CA LEU 8 -6.958 -10.598 16.833 1.00 -0.05 C ATOM 114 HA LEU 8 -6.106 -10.527 16.156 1.00 0.09 H ATOM 115 C LEU 8 -8.065 -11.364 16.114 1.00 0.60 C ATOM 116 O LEU 8 -7.810 -12.064 15.142 1.00 -0.57 O ATOM 117 CB LEU 8 -6.539 -11.366 18.092 1.00 -0.11 C ATOM 118 1HB LEU 8 -7.408 -11.449 18.741 1.00 0.05 H ATOM 119 2HB LEU 8 -6.268 -12.375 17.779 1.00 0.05 H ATOM 120 CG LEU 8 -5.375 -10.813 18.931 1.00 0.35 C ATOM 121 HG LEU 8 -5.643 -9.821 19.285 1.00 -0.04 H ATOM 122 CD1 LEU 8 -5.162 -11.714 20.148 1.00 -0.41 C ATOM 123 1HD1 LEU 8 -4.383 -11.292 20.784 1.00 0.10 H ATOM 124 2HD1 LEU 8 -6.084 -11.790 20.722 1.00 0.10 H ATOM 125 3HD1 LEU 8 -4.858 -12.712 19.828 1.00 0.10 H ATOM 126 CD2 LEU 8 -4.070 -10.701 18.147 1.00 -0.41 C ATOM 127 1HD2 LEU 8 -4.182 -9.977 17.339 1.00 0.10 H ATOM 128 2HD2 LEU 8 -3.271 -10.356 18.804 1.00 0.10 H ATOM 129 3HD2 LEU 8 -3.796 -11.669 17.724 1.00 0.10 H ATOM 130 N LEU 9 -9.307 -11.186 16.544 1.00 -0.42 N ATOM 131 H LEU 9 -9.479 -10.632 17.376 1.00 0.27 H ATOM 132 CA LEU 9 -10.439 -11.789 15.842 1.00 -0.05 C ATOM 133 HA LEU 9 -10.273 -12.861 15.754 1.00 0.09 H ATOM 134 C LEU 9 -10.547 -11.216 14.433 1.00 0.60 C ATOM 135 O LEU 9 -10.757 -11.954 13.487 1.00 -0.57 O ATOM 136 CB LEU 9 -11.740 -11.539 16.613 1.00 -0.11 C ATOM 137 1HB LEU 9 -11.621 -11.941 17.619 1.00 0.05 H ATOM 138 2HB LEU 9 -11.879 -10.463 16.698 1.00 0.05 H ATOM 139 CG LEU 9 -13.029 -12.121 16.004 1.00 0.35 C ATOM 140 HG LEU 9 -13.174 -11.683 15.018 1.00 -0.04 H ATOM 141 CD1 LEU 9 -12.993 -13.643 15.851 1.00 -0.41 C ATOM 142 1HD1 LEU 9 -13.953 -13.997 15.476 1.00 0.10 H ATOM 143 2HD1 LEU 9 -12.228 -13.920 15.122 1.00 0.10 H ATOM 144 3HD1 LEU 9 -12.776 -14.118 16.807 1.00 0.10 H ATOM 145 CD2 LEU 9 -14.220 -11.724 16.874 1.00 -0.41 C ATOM 146 1HD2 LEU 9 -15.141 -12.094 16.420 1.00 0.10 H ATOM 147 2HD2 LEU 9 -14.116 -12.144 17.875 1.00 0.10 H ATOM 148 3HD2 LEU 9 -14.280 -10.637 16.939 1.00 0.10 H ATOM 149 N ASN 10 -10.322 -9.920 14.283 1.00 -0.42 N ATOM 150 H ASN 10 -10.129 -9.355 15.100 1.00 0.27 H ATOM 151 CA ASN 10 -10.357 -9.253 12.977 1.00 0.01 C ATOM 152 HA ASN 10 -11.186 -9.686 12.420 1.00 0.10 H ATOM 153 C ASN 10 -9.071 -9.457 12.152 1.00 0.60 C ATOM 154 O ASN 10 -8.746 -8.665 11.271 1.00 -0.57 O ATOM 155 CB ASN 10 -10.622 -7.758 13.204 1.00 -0.20 C ATOM 156 1HB ASN 10 -11.364 -7.650 13.992 1.00 0.08 H ATOM 157 2HB ASN 10 -9.694 -7.288 13.522 1.00 0.08 H ATOM 158 CG ASN 10 -11.139 -7.015 11.975 1.00 0.71 C ATOM 159 OD1 ASN 10 -11.154 -5.791 11.997 1.00 -0.59 O ATOM 160 ND2 ASN 10 -11.599 -7.688 10.953 1.00 -0.92 N ATOM 161 1HD2 ASN 10 -11.983 -7.187 10.177 1.00 0.42 H ATOM 162 2HD2 ASN 10 -11.543 -8.708 10.903 1.00 0.42 H ATOM 163 N SER 11 -8.309 -10.500 12.456 1.00 -0.42 N ATOM 164 H SER 11 -8.454 -10.982 13.332 1.00 0.27 H ATOM 165 CA SER 11 -7.282 -11.000 11.540 1.00 -0.03 C ATOM 166 HA SER 11 -7.145 -10.289 10.726 1.00 0.08 H ATOM 167 C SER 11 -7.731 -12.333 10.944 1.00 0.60 C ATOM 168 O SER 11 -7.068 -12.897 10.075 1.00 -0.57 O ATOM 169 CB SER 11 -5.935 -11.163 12.251 1.00 0.21 C ATOM 170 1HB SER 11 -5.177 -11.398 11.503 1.00 0.04 H ATOM 171 2HB SER 11 -5.672 -10.220 12.730 1.00 0.04 H ATOM 172 OG SER 11 -5.936 -12.199 13.220 1.00 -0.65 O ATOM 173 HG SER 11 -6.645 -12.045 13.865 1.00 0.43 H ATOM 174 N LEU 12 -8.847 -12.844 11.451 1.00 -0.42 N ATOM 175 H LEU 12 -9.366 -12.322 12.149 1.00 0.27 H ATOM 176 CA LEU 12 -9.367 -14.167 11.100 1.00 -0.05 C ATOM 177 HA LEU 12 -8.737 -14.623 10.338 1.00 0.09 H ATOM 178 C LEU 12 -10.798 -14.082 10.570 1.00 0.60 C ATOM 179 O LEU 12 -11.424 -15.101 10.270 1.00 -0.57 O ATOM 180 CB LEU 12 -9.375 -15.043 12.359 1.00 -0.11 C ATOM 181 1HB LEU 12 -10.073 -14.591 13.063 1.00 0.05 H ATOM 182 2HB LEU 12 -9.768 -16.023 12.089 1.00 0.05 H ATOM 183 CG LEU 12 -8.048 -15.256 13.106 1.00 0.35 C ATOM 184 HG LEU 12 -7.626 -14.285 13.354 1.00 -0.04 H ATOM 185 CD1 LEU 12 -8.310 -15.996 14.417 1.00 -0.41 C ATOM 186 1HD1 LEU 12 -8.995 -15.410 15.031 1.00 0.10 H ATOM 187 2HD1 LEU 12 -8.746 -16.975 14.217 1.00 0.10 H ATOM 188 3HD1 LEU 12 -7.373 -16.117 14.960 1.00 0.10 H ATOM 189 CD2 LEU 12 -7.022 -16.027 12.273 1.00 -0.41 C ATOM 190 1HD2 LEU 12 -7.425 -16.994 11.975 1.00 0.10 H ATOM 191 2HD2 LEU 12 -6.772 -15.448 11.381 1.00 0.10 H ATOM 192 3HD2 LEU 12 -6.111 -16.169 12.853 1.00 0.10 H ATOM 193 N LEU 13 -11.321 -12.865 10.529 1.00 -0.42 N ATOM 194 H LEU 13 -10.751 -12.055 10.741 1.00 0.27 H ATOM 195 CA LEU 13 -12.707 -12.556 10.205 1.00 -0.05 C ATOM 196 HA LEU 13 -13.089 -13.205 9.421 1.00 0.09 H ATOM 197 C LEU 13 -12.598 -11.123 9.712 1.00 0.60 C ATOM 198 O LEU 13 -13.393 -10.649 8.880 1.00 -0.57 O ATOM 199 OXT LEU 13 -11.637 -10.495 10.215 1.00 -0.57 O ATOM 200 CB LEU 13 -13.561 -12.633 11.480 1.00 -0.11 C ATOM 201 1HB LEU 13 -13.482 -13.647 11.868 1.00 0.05 H ATOM 202 2HB LEU 13 -13.108 -11.962 12.209 1.00 0.05 H ATOM 203 CG LEU 13 -15.047 -12.270 11.386 1.00 0.35 C ATOM 204 HG LEU 13 -15.140 -11.242 11.038 1.00 -0.04 H ATOM 205 CD1 LEU 13 -15.800 -13.181 10.421 1.00 -0.41 C ATOM 206 1HD1 LEU 13 -16.861 -12.938 10.434 1.00 0.10 H ATOM 207 2HD1 LEU 13 -15.421 -13.017 9.410 1.00 0.10 H ATOM 208 3HD1 LEU 13 -15.653 -14.225 10.695 1.00 0.10 H ATOM 209 CD2 LEU 13 -15.669 -12.363 12.777 1.00 -0.41 C ATOM 210 1HD2 LEU 13 -16.718 -12.075 12.727 1.00 0.10 H ATOM 211 2HD2 LEU 13 -15.586 -13.381 13.158 1.00 0.10 H ATOM 212 3HD2 LEU 13 -15.149 -11.680 13.450 1.00 0.10 H TER 213 LEU 13 END
SEQUENCE	LLPIVGNLLNSLL
HELICITY	92.30	INSTAB. INDEX	4.45	FLEXIBILITY	13.03
a HYD. MOM.	52.91	b HYD. MOM.	25.43	c HYD. MOM	3.61
a MEAN HYD. MOM.	4.07	b MEAN HYD. MOM.	1.96	c MEAN HYD. MOM.	0.28
CHARGE pH5	0.00	CHARGE pH7	0.00	CHARGE pH9	-0.17
Δ CHARGE pH5-pH9	0.17	ISOELECTRIC POINT	5.52	BOMAN INDEX	-1.75
ΔG	-5,63	CPP	-0,56	MLP	1
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 temporaria
DATE	1996
TITLE PAPER	Temporins, antimicrobial peptides from the European red frog Rana temporaria.