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ID	387	NAME	Temporin-C   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\LLPILGNLLNGLL.pdb REMARK YASARA Written on: Wed May 14 16:32:48 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 LEU LEU PRO ILE LEU GLY ASN LEU LEU ASN GLY LEU LEU ATOM 1 N LEU 1 -13.058 -4.891 27.293 1.00 -0.42 N ATOM 2 1H LEU 1 -13.761 -4.368 27.796 1.00 -0.42 H ATOM 3 2H LEU 1 -12.158 -4.442 27.405 1.00 -0.42 H ATOM 4 3H LEU 1 -13.293 -4.917 26.311 1.00 0.27 H ATOM 5 CA LEU 1 -12.981 -6.279 27.828 1.00 -0.05 C ATOM 6 HA LEU 1 -12.742 -6.207 28.888 1.00 0.09 H ATOM 7 C LEU 1 -11.825 -7.003 27.152 1.00 0.60 C ATOM 8 O LEU 1 -10.738 -6.451 27.174 1.00 -0.57 O ATOM 9 CB LEU 1 -14.342 -6.984 27.683 1.00 -0.11 C ATOM 10 1HB LEU 1 -15.110 -6.258 27.950 1.00 0.05 H ATOM 11 2HB LEU 1 -14.494 -7.231 26.632 1.00 0.05 H ATOM 12 CG LEU 1 -14.607 -8.246 28.529 1.00 0.35 C ATOM 13 HG LEU 1 -13.840 -8.984 28.300 1.00 -0.04 H ATOM 14 CD1 LEU 1 -14.567 -7.970 30.033 1.00 -0.41 C ATOM 15 1HD1 LEU 1 -14.811 -8.886 30.578 1.00 0.10 H ATOM 16 2HD1 LEU 1 -13.570 -7.658 30.344 1.00 0.10 H ATOM 17 3HD1 LEU 1 -15.296 -7.203 30.304 1.00 0.10 H ATOM 18 CD2 LEU 1 -15.957 -8.841 28.153 1.00 -0.41 C ATOM 19 1HD2 LEU 1 -15.985 -9.086 27.090 1.00 0.10 H ATOM 20 2HD2 LEU 1 -16.123 -9.762 28.717 1.00 0.10 H ATOM 21 3HD2 LEU 1 -16.765 -8.142 28.382 1.00 0.10 H ATOM 22 N LEU 2 -12.018 -8.156 26.522 1.00 -0.42 N ATOM 23 H LEU 2 -12.929 -8.584 26.499 1.00 0.27 H ATOM 24 CA LEU 2 -10.932 -8.837 25.817 1.00 -0.05 C ATOM 25 HA LEU 2 -10.128 -9.049 26.519 1.00 0.09 H ATOM 26 C LEU 2 -10.433 -7.946 24.674 1.00 0.60 C ATOM 27 O LEU 2 -11.262 -7.397 23.937 1.00 -0.57 O ATOM 28 CB LEU 2 -11.473 -10.145 25.222 1.00 -0.11 C ATOM 29 1HB LEU 2 -11.978 -10.699 26.013 1.00 0.05 H ATOM 30 2HB LEU 2 -12.226 -9.874 24.481 1.00 0.05 H ATOM 31 CG LEU 2 -10.473 -11.096 24.545 1.00 0.35 C ATOM 32 HG LEU 2 -9.842 -10.525 23.866 1.00 -0.04 H ATOM 33 CD1 LEU 2 -9.592 -11.796 25.574 1.00 -0.41 C ATOM 34 1HD1 LEU 2 -8.902 -12.475 25.071 1.00 0.10 H ATOM 35 2HD1 LEU 2 -9.002 -11.073 26.133 1.00 0.10 H ATOM 36 3HD1 LEU 2 -10.202 -12.375 26.270 1.00 0.10 H ATOM 37 CD2 LEU 2 -11.222 -12.137 23.728 1.00 -0.41 C ATOM 38 1HD2 LEU 2 -11.823 -11.648 22.961 1.00 0.10 H ATOM 39 2HD2 LEU 2 -10.509 -12.802 23.238 1.00 0.10 H ATOM 40 3HD2 LEU 2 -11.874 -12.731 24.372 1.00 0.10 H ATOM 41 N PRO 3 -9.108 -7.772 24.505 1.00 -0.25 N ATOM 42 CA PRO 3 -8.685 -7.019 23.317 1.00 -0.03 C ATOM 43 HA PRO 3 -9.289 -6.119 23.204 1.00 0.06 H ATOM 44 C PRO 3 -8.786 -7.863 22.039 1.00 0.59 C ATOM 45 O PRO 3 -7.841 -8.532 21.638 1.00 -0.57 O ATOM 46 CB PRO 3 -7.244 -6.630 23.664 1.00 -0.01 C ATOM 47 1HB PRO 3 -6.637 -6.501 22.768 1.00 0.03 H ATOM 48 2HB PRO 3 -7.245 -5.716 24.257 1.00 0.03 H ATOM 49 CG PRO 3 -6.753 -7.770 24.495 1.00 0.02 C ATOM 50 1HG PRO 3 -6.435 -8.590 23.852 1.00 0.02 H ATOM 51 2HG PRO 3 -5.931 -7.455 25.138 1.00 0.02 H ATOM 52 CD PRO 3 -7.946 -8.193 25.315 1.00 0.02 C ATOM 53 1HD PRO 3 -7.936 -9.272 25.463 1.00 0.04 H ATOM 54 2HD PRO 3 -7.950 -7.671 26.274 1.00 0.04 H ATOM 55 N ILE 4 -9.946 -7.842 21.396 1.00 -0.42 N ATOM 56 H ILE 4 -10.701 -7.285 21.780 1.00 0.27 H ATOM 57 CA ILE 4 -10.215 -8.651 20.198 1.00 -0.06 C ATOM 58 HA ILE 4 -10.120 -9.706 20.456 1.00 0.09 H ATOM 59 C ILE 4 -9.186 -8.353 19.109 1.00 0.60 C ATOM 60 O ILE 4 -8.647 -9.264 18.493 1.00 -0.57 O ATOM 61 CB ILE 4 -11.667 -8.387 19.676 1.00 0.13 C ATOM 62 HB ILE 4 -11.768 -7.319 19.483 1.00 0.02 H ATOM 63 CG1 ILE 4 -12.688 -8.785 20.765 1.00 -0.04 C ATOM 64 1HG1 ILE 4 -12.641 -9.864 20.907 1.00 0.02 H ATOM 65 2HG1 ILE 4 -12.412 -8.316 21.706 1.00 0.02 H ATOM 66 CG2 ILE 4 -11.952 -9.142 18.348 1.00 -0.32 C ATOM 67 1HG2 ILE 4 -11.212 -8.886 17.588 1.00 0.09 H ATOM 68 2HG2 ILE 4 -11.933 -10.219 18.506 1.00 0.09 H ATOM 69 3HG2 ILE 4 -12.931 -8.862 17.958 1.00 0.09 H ATOM 70 CD1 ILE 4 -14.147 -8.399 20.483 1.00 -0.07 C ATOM 71 1HD1 ILE 4 -14.756 -8.631 21.357 1.00 0.02 H ATOM 72 2HD1 ILE 4 -14.217 -7.331 20.273 1.00 0.02 H ATOM 73 3HD1 ILE 4 -14.531 -8.963 19.633 1.00 0.02 H ATOM 74 N LEU 5 -8.837 -7.083 18.951 1.00 -0.42 N ATOM 75 H LEU 5 -9.276 -6.384 19.524 1.00 0.27 H ATOM 76 CA LEU 5 -7.845 -6.640 17.967 1.00 -0.05 C ATOM 77 HA LEU 5 -8.148 -7.045 17.001 1.00 0.09 H ATOM 78 C LEU 5 -6.402 -7.104 18.203 1.00 0.60 C ATOM 79 O LEU 5 -5.521 -6.793 17.418 1.00 -0.57 O ATOM 80 CB LEU 5 -7.870 -5.107 17.857 1.00 -0.11 C ATOM 81 1HB LEU 5 -7.406 -4.859 16.902 1.00 0.05 H ATOM 82 2HB LEU 5 -8.913 -4.797 17.791 1.00 0.05 H ATOM 83 CG LEU 5 -7.177 -4.229 18.921 1.00 0.35 C ATOM 84 HG LEU 5 -6.131 -4.523 18.985 1.00 -0.04 H ATOM 85 CD1 LEU 5 -7.227 -2.773 18.465 1.00 -0.41 C ATOM 86 1HD1 LEU 5 -6.741 -2.674 17.492 1.00 0.10 H ATOM 87 2HD1 LEU 5 -8.260 -2.430 18.387 1.00 0.10 H ATOM 88 3HD1 LEU 5 -6.691 -2.144 19.177 1.00 0.10 H ATOM 89 CD2 LEU 5 -7.782 -4.331 20.328 1.00 -0.41 C ATOM 90 1HD2 LEU 5 -8.842 -4.079 20.302 1.00 0.10 H ATOM 91 2HD2 LEU 5 -7.638 -5.336 20.715 1.00 0.10 H ATOM 92 3HD2 LEU 5 -7.266 -3.635 20.993 1.00 0.10 H ATOM 93 N GLY 6 -6.163 -7.852 19.270 1.00 -0.42 N ATOM 94 H GLY 6 -6.914 -8.038 19.922 1.00 0.27 H ATOM 95 CA GLY 6 -4.874 -8.493 19.481 1.00 -0.03 C ATOM 96 1HA GLY 6 -4.230 -8.351 18.613 1.00 0.07 H ATOM 97 2HA GLY 6 -4.391 -8.053 20.353 1.00 0.07 H ATOM 98 C GLY 6 -5.050 -9.980 19.714 1.00 0.60 C ATOM 99 O GLY 6 -4.521 -10.814 18.989 1.00 -0.57 O ATOM 100 N ASN 7 -5.858 -10.319 20.709 1.00 -0.42 N ATOM 101 H ASN 7 -6.353 -9.592 21.219 1.00 0.27 H ATOM 102 CA ASN 7 -6.045 -11.704 21.142 1.00 0.01 C ATOM 103 HA ASN 7 -5.067 -12.131 21.372 1.00 0.10 H ATOM 104 C ASN 7 -6.719 -12.572 20.082 1.00 0.60 C ATOM 105 O ASN 7 -6.533 -13.782 20.047 1.00 -0.57 O ATOM 106 CB ASN 7 -6.910 -11.705 22.410 1.00 -0.20 C ATOM 107 1HB ASN 7 -6.751 -10.770 22.942 1.00 0.08 H ATOM 108 2HB ASN 7 -7.961 -11.774 22.135 1.00 0.08 H ATOM 109 CG ASN 7 -6.568 -12.824 23.367 1.00 0.71 C ATOM 110 OD1 ASN 7 -6.286 -12.566 24.521 1.00 -0.59 O ATOM 111 ND2 ASN 7 -6.596 -14.049 22.923 1.00 -0.92 N ATOM 112 1HD2 ASN 7 -6.406 -14.795 23.568 1.00 0.42 H ATOM 113 2HD2 ASN 7 -6.776 -14.236 21.943 1.00 0.42 H ATOM 114 N LEU 8 -7.535 -11.954 19.241 1.00 -0.42 N ATOM 115 H LEU 8 -7.668 -10.949 19.307 1.00 0.27 H ATOM 116 CA LEU 8 -8.298 -12.666 18.218 1.00 -0.05 C ATOM 117 HA LEU 8 -7.988 -13.710 18.176 1.00 0.09 H ATOM 118 C LEU 8 -8.023 -12.025 16.862 1.00 0.60 C ATOM 119 O LEU 8 -8.847 -12.092 15.957 1.00 -0.57 O ATOM 120 CB LEU 8 -9.798 -12.609 18.546 1.00 -0.11 C ATOM 121 1HB LEU 8 -10.089 -11.562 18.553 1.00 0.05 H ATOM 122 2HB LEU 8 -10.339 -13.097 17.735 1.00 0.05 H ATOM 123 CG LEU 8 -10.282 -13.238 19.863 1.00 0.35 C ATOM 124 HG LEU 8 -9.762 -12.759 20.692 1.00 -0.04 H ATOM 125 CD1 LEU 8 -11.778 -12.985 20.032 1.00 -0.41 C ATOM 126 1HD1 LEU 8 -11.970 -11.916 20.067 1.00 0.10 H ATOM 127 2HD1 LEU 8 -12.332 -13.423 19.199 1.00 0.10 H ATOM 128 3HD1 LEU 8 -12.126 -13.432 20.963 1.00 0.10 H ATOM 129 CD2 LEU 8 -10.020 -14.742 19.937 1.00 -0.41 C ATOM 130 1HD2 LEU 8 -10.405 -15.139 20.877 1.00 0.10 H ATOM 131 2HD2 LEU 8 -10.509 -15.252 19.105 1.00 0.10 H ATOM 132 3HD2 LEU 8 -8.949 -14.938 19.897 1.00 0.10 H ATOM 133 N LEU 9 -6.869 -11.384 16.725 1.00 -0.42 N ATOM 134 H LEU 9 -6.190 -11.400 17.478 1.00 0.27 H ATOM 135 CA LEU 9 -6.565 -10.615 15.515 1.00 -0.05 C ATOM 136 HA LEU 9 -7.330 -9.846 15.407 1.00 0.09 H ATOM 137 C LEU 9 -6.594 -11.440 14.232 1.00 0.60 C ATOM 138 O LEU 9 -7.048 -10.953 13.215 1.00 -0.57 O ATOM 139 CB LEU 9 -5.206 -9.919 15.648 1.00 -0.11 C ATOM 140 1HB LEU 9 -5.229 -9.318 16.553 1.00 0.05 H ATOM 141 2HB LEU 9 -4.447 -10.690 15.782 1.00 0.05 H ATOM 142 CG LEU 9 -4.744 -9.014 14.487 1.00 0.35 C ATOM 143 HG LEU 9 -4.604 -9.637 13.605 1.00 -0.04 H ATOM 144 CD1 LEU 9 -5.731 -7.898 14.121 1.00 -0.41 C ATOM 145 1HD1 LEU 9 -6.659 -8.333 13.754 1.00 0.10 H ATOM 146 2HD1 LEU 9 -5.936 -7.273 14.988 1.00 0.10 H ATOM 147 3HD1 LEU 9 -5.311 -7.284 13.325 1.00 0.10 H ATOM 148 CD2 LEU 9 -3.394 -8.396 14.842 1.00 -0.41 C ATOM 149 1HD2 LEU 9 -2.673 -9.183 15.061 1.00 0.10 H ATOM 150 2HD2 LEU 9 -3.027 -7.813 13.997 1.00 0.10 H ATOM 151 3HD2 LEU 9 -3.498 -7.743 15.712 1.00 0.10 H ATOM 152 N ASN 10 -6.227 -12.713 14.266 1.00 -0.42 N ATOM 153 H ASN 10 -5.909 -13.126 15.124 1.00 0.27 H ATOM 154 CA ASN 10 -6.282 -13.516 13.039 1.00 0.01 C ATOM 155 HA ASN 10 -6.001 -12.853 12.230 1.00 0.10 H ATOM 156 C ASN 10 -7.691 -14.036 12.703 1.00 0.60 C ATOM 157 O ASN 10 -7.881 -14.836 11.799 1.00 -0.57 O ATOM 158 CB ASN 10 -5.248 -14.646 13.091 1.00 -0.20 C ATOM 159 1HB ASN 10 -4.323 -14.254 13.509 1.00 0.08 H ATOM 160 2HB ASN 10 -5.621 -15.444 13.730 1.00 0.08 H ATOM 161 CG ASN 10 -4.930 -15.234 11.722 1.00 0.71 C ATOM 162 OD1 ASN 10 -4.612 -16.411 11.634 1.00 -0.59 O ATOM 163 ND2 ASN 10 -4.948 -14.444 10.676 1.00 -0.92 N ATOM 164 1HD2 ASN 10 -4.725 -14.828 9.778 1.00 0.42 H ATOM 165 2HD2 ASN 10 -5.215 -13.461 10.746 1.00 0.42 H ATOM 166 N GLY 11 -8.691 -13.551 13.429 1.00 -0.42 N ATOM 167 H GLY 11 -8.498 -12.968 14.238 1.00 0.27 H ATOM 168 CA GLY 11 -10.086 -13.739 13.056 1.00 -0.03 C ATOM 169 1HA GLY 11 -10.181 -14.522 12.306 1.00 0.07 H ATOM 170 2HA GLY 11 -10.661 -14.015 13.939 1.00 0.07 H ATOM 171 C GLY 11 -10.647 -12.441 12.502 1.00 0.60 C ATOM 172 O GLY 11 -11.856 -12.288 12.355 1.00 -0.57 O ATOM 173 N LEU 12 -9.758 -11.485 12.263 1.00 -0.42 N ATOM 174 H LEU 12 -8.778 -11.686 12.416 1.00 0.27 H ATOM 175 CA LEU 12 -10.105 -10.127 11.835 1.00 -0.05 C ATOM 176 HA LEU 12 -11.155 -10.088 11.546 1.00 0.09 H ATOM 177 C LEU 12 -9.256 -9.692 10.633 1.00 0.60 C ATOM 178 O LEU 12 -9.766 -9.056 9.711 1.00 -0.57 O ATOM 179 CB LEU 12 -9.889 -9.205 13.050 1.00 -0.11 C ATOM 180 1HB LEU 12 -10.394 -9.698 13.880 1.00 0.05 H ATOM 181 2HB LEU 12 -8.829 -9.217 13.283 1.00 0.05 H ATOM 182 CG LEU 12 -10.328 -7.731 13.098 1.00 0.35 C ATOM 183 HG LEU 12 -11.368 -7.664 12.778 1.00 -0.04 H ATOM 184 CD1 LEU 12 -10.244 -7.262 14.562 1.00 -0.41 C ATOM 185 1HD1 LEU 12 -10.882 -7.888 15.186 1.00 0.10 H ATOM 186 2HD1 LEU 12 -9.214 -7.328 14.915 1.00 0.10 H ATOM 187 3HD1 LEU 12 -10.589 -6.230 14.635 1.00 0.10 H ATOM 188 CD2 LEU 12 -9.486 -6.781 12.245 1.00 -0.41 C ATOM 189 1HD2 LEU 12 -9.619 -7.024 11.190 1.00 0.10 H ATOM 190 2HD2 LEU 12 -9.808 -5.753 12.400 1.00 0.10 H ATOM 191 3HD2 LEU 12 -8.430 -6.879 12.499 1.00 0.10 H ATOM 192 N LEU 13 -7.976 -10.049 10.650 1.00 -0.42 N ATOM 193 H LEU 13 -7.611 -10.599 11.422 1.00 0.27 H ATOM 194 CA LEU 13 -6.996 -9.682 9.629 1.00 -0.05 C ATOM 195 HA LEU 13 -7.493 -9.390 8.705 1.00 0.09 H ATOM 196 C LEU 13 -6.111 -10.891 9.344 1.00 0.60 C ATOM 197 O LEU 13 -5.786 -11.587 10.331 1.00 -0.57 O ATOM 198 OXT LEU 13 -5.751 -11.130 8.177 1.00 -0.57 O ATOM 199 CB LEU 13 -6.146 -8.527 10.174 1.00 -0.11 C ATOM 200 1HB LEU 13 -6.819 -7.708 10.420 1.00 0.05 H ATOM 201 2HB LEU 13 -5.689 -8.881 11.098 1.00 0.05 H ATOM 202 CG LEU 13 -5.018 -7.976 9.292 1.00 0.35 C ATOM 203 HG LEU 13 -4.321 -8.779 9.060 1.00 -0.04 H ATOM 204 CD1 LEU 13 -5.542 -7.393 7.984 1.00 -0.41 C ATOM 205 1HD1 LEU 13 -5.977 -8.197 7.387 1.00 0.10 H ATOM 206 2HD1 LEU 13 -6.304 -6.641 8.183 1.00 0.10 H ATOM 207 3HD1 LEU 13 -4.721 -6.953 7.420 1.00 0.10 H ATOM 208 CD2 LEU 13 -4.266 -6.902 10.073 1.00 -0.41 C ATOM 209 1HD2 LEU 13 -3.862 -7.336 10.988 1.00 0.10 H ATOM 210 2HD2 LEU 13 -3.440 -6.526 9.471 1.00 0.10 H ATOM 211 3HD2 LEU 13 -4.937 -6.081 10.325 1.00 0.10 H TER 212 LEU 13 END
SEQUENCE	LLPILGNLLNGLL
HELICITY	92.30	INSTAB. INDEX	20.77	FLEXIBILITY	14.65
a HYD. MOM.	57.67	b HYD. MOM.	24.88	c HYD. MOM	3.43
a MEAN HYD. MOM.	4.44	b MEAN HYD. MOM.	1.91	c MEAN HYD. MOM.	0.26
CHARGE pH5	0.00	CHARGE pH7	0.00	CHARGE pH9	-0.17
Δ CHARGE pH5-pH9	0.17	ISOELECTRIC POINT	5.52	BOMAN INDEX	-2.15
ΔG	-5,73	CPP	-0,51	MLP	0,17
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.