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ID	375	NAME	Temporin 1Pra   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\ILPILGNLLNGLL.pdb REMARK YASARA Written on: Wed May 14 16:32:42 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 ILE LEU PRO ILE LEU GLY ASN LEU LEU ASN GLY LEU LEU ATOM 1 N ILE 1 -8.792 -13.746 16.800 1.00 -0.42 N ATOM 2 1H ILE 1 -8.101 -14.055 17.467 1.00 -0.42 H ATOM 3 2H ILE 1 -8.418 -12.966 16.274 1.00 -0.42 H ATOM 4 3H ILE 1 -9.616 -13.433 17.297 1.00 0.27 H ATOM 5 CA ILE 1 -9.144 -14.863 15.882 1.00 -0.06 C ATOM 6 HA ILE 1 -8.225 -15.182 15.393 1.00 0.09 H ATOM 7 C ILE 1 -10.068 -14.393 14.762 1.00 0.60 C ATOM 8 O ILE 1 -9.921 -14.861 13.641 1.00 -0.57 O ATOM 9 CB ILE 1 -9.708 -16.106 16.641 1.00 0.13 C ATOM 10 HB ILE 1 -9.956 -16.860 15.892 1.00 0.02 H ATOM 11 CG1 ILE 1 -10.993 -15.779 17.430 1.00 -0.04 C ATOM 12 1HG1 ILE 1 -10.735 -15.127 18.263 1.00 0.02 H ATOM 13 2HG1 ILE 1 -11.680 -15.244 16.778 1.00 0.02 H ATOM 14 CG2 ILE 1 -8.615 -16.702 17.574 1.00 -0.32 C ATOM 15 1HG2 ILE 1 -7.687 -16.861 17.019 1.00 0.09 H ATOM 16 2HG2 ILE 1 -8.421 -16.052 18.429 1.00 0.09 H ATOM 17 3HG2 ILE 1 -8.941 -17.676 17.948 1.00 0.09 H ATOM 18 CD1 ILE 1 -11.747 -16.992 17.989 1.00 -0.07 C ATOM 19 1HD1 ILE 1 -12.679 -16.657 18.446 1.00 0.02 H ATOM 20 2HD1 ILE 1 -11.982 -17.691 17.184 1.00 0.02 H ATOM 21 3HD1 ILE 1 -11.149 -17.498 18.747 1.00 0.02 H ATOM 22 N LEU 2 -10.945 -13.421 14.995 1.00 -0.42 N ATOM 23 H LEU 2 -11.113 -13.069 15.935 1.00 0.27 H ATOM 24 CA LEU 2 -11.555 -12.690 13.881 1.00 -0.05 C ATOM 25 HA LEU 2 -11.961 -13.392 13.153 1.00 0.09 H ATOM 26 C LEU 2 -10.344 -11.951 13.291 1.00 0.60 C ATOM 27 O LEU 2 -9.474 -11.566 14.062 1.00 -0.57 O ATOM 28 CB LEU 2 -12.672 -11.791 14.441 1.00 -0.11 C ATOM 29 1HB LEU 2 -13.373 -12.466 14.931 1.00 0.05 H ATOM 30 2HB LEU 2 -12.247 -11.170 15.224 1.00 0.05 H ATOM 31 CG LEU 2 -13.511 -10.882 13.531 1.00 0.35 C ATOM 32 HG LEU 2 -13.760 -11.433 12.626 1.00 -0.04 H ATOM 33 CD1 LEU 2 -14.811 -10.529 14.251 1.00 -0.41 C ATOM 34 1HD1 LEU 2 -15.428 -9.897 13.610 1.00 0.10 H ATOM 35 2HD1 LEU 2 -15.373 -11.437 14.472 1.00 0.10 H ATOM 36 3HD1 LEU 2 -14.604 -9.998 15.182 1.00 0.10 H ATOM 37 CD2 LEU 2 -12.806 -9.582 13.146 1.00 -0.41 C ATOM 38 1HD2 LEU 2 -12.571 -9.001 14.038 1.00 0.10 H ATOM 39 2HD2 LEU 2 -11.898 -9.793 12.597 1.00 0.10 H ATOM 40 3HD2 LEU 2 -13.465 -8.991 12.506 1.00 0.10 H ATOM 41 N PRO 3 -10.197 -11.831 11.957 1.00 -0.25 N ATOM 42 CA PRO 3 -8.843 -11.475 11.491 1.00 -0.03 C ATOM 43 HA PRO 3 -8.165 -12.273 11.796 1.00 0.06 H ATOM 44 C PRO 3 -8.214 -10.148 11.938 1.00 0.59 C ATOM 45 O PRO 3 -7.048 -10.126 12.315 1.00 -0.57 O ATOM 46 CB PRO 3 -8.985 -11.500 9.966 1.00 -0.01 C ATOM 47 1HB PRO 3 -9.215 -10.504 9.587 1.00 0.03 H ATOM 48 2HB PRO 3 -8.076 -11.883 9.502 1.00 0.03 H ATOM 49 CG PRO 3 -10.114 -12.424 9.721 1.00 0.02 C ATOM 50 1HG PRO 3 -10.561 -12.245 8.742 1.00 0.02 H ATOM 51 2HG PRO 3 -9.765 -13.455 9.799 1.00 0.02 H ATOM 52 CD PRO 3 -11.085 -12.134 10.819 1.00 0.02 C ATOM 53 1HD PRO 3 -11.697 -11.265 10.572 1.00 0.04 H ATOM 54 2HD PRO 3 -11.708 -13.007 11.015 1.00 0.04 H ATOM 55 N ILE 4 -8.955 -9.046 11.969 1.00 -0.42 N ATOM 56 H ILE 4 -9.905 -9.061 11.637 1.00 0.27 H ATOM 57 CA ILE 4 -8.389 -7.772 12.447 1.00 -0.06 C ATOM 58 HA ILE 4 -7.384 -7.667 12.034 1.00 0.09 H ATOM 59 C ILE 4 -8.246 -7.776 13.972 1.00 0.60 C ATOM 60 O ILE 4 -7.557 -6.958 14.575 1.00 -0.57 O ATOM 61 CB ILE 4 -9.217 -6.547 11.961 1.00 0.13 C ATOM 62 HB ILE 4 -8.723 -5.644 12.322 1.00 0.02 H ATOM 63 CG1 ILE 4 -10.650 -6.577 12.526 1.00 -0.04 C ATOM 64 1HG1 ILE 4 -11.198 -7.384 12.045 1.00 0.02 H ATOM 65 2HG1 ILE 4 -10.601 -6.787 13.590 1.00 0.02 H ATOM 66 CG2 ILE 4 -9.229 -6.506 10.409 1.00 -0.32 C ATOM 67 1HG2 ILE 4 -9.813 -7.331 9.999 1.00 0.09 H ATOM 68 2HG2 ILE 4 -9.659 -5.564 10.066 1.00 0.09 H ATOM 69 3HG2 ILE 4 -8.207 -6.567 10.030 1.00 0.09 H ATOM 70 CD1 ILE 4 -11.450 -5.284 12.352 1.00 -0.07 C ATOM 71 1HD1 ILE 4 -11.621 -5.082 11.294 1.00 0.02 H ATOM 72 2HD1 ILE 4 -12.415 -5.387 12.851 1.00 0.02 H ATOM 73 3HD1 ILE 4 -10.908 -4.449 12.799 1.00 0.02 H ATOM 74 N LEU 5 -8.856 -8.779 14.580 1.00 -0.42 N ATOM 75 H LEU 5 -9.342 -9.460 14.014 1.00 0.27 H ATOM 76 CA LEU 5 -8.845 -9.029 16.015 1.00 -0.05 C ATOM 77 HA LEU 5 -8.475 -8.158 16.556 1.00 0.09 H ATOM 78 C LEU 5 -7.865 -10.193 16.230 1.00 0.60 C ATOM 79 O LEU 5 -8.003 -11.026 17.122 1.00 -0.57 O ATOM 80 CB LEU 5 -10.283 -9.326 16.455 1.00 -0.11 C ATOM 81 1HB LEU 5 -10.856 -9.544 15.561 1.00 0.05 H ATOM 82 2HB LEU 5 -10.286 -10.221 17.063 1.00 0.05 H ATOM 83 CG LEU 5 -11.030 -8.238 17.238 1.00 0.35 C ATOM 84 HG LEU 5 -10.490 -8.065 18.164 1.00 -0.04 H ATOM 85 CD1 LEU 5 -11.154 -6.904 16.506 1.00 -0.41 C ATOM 86 1HD1 LEU 5 -11.706 -7.032 15.576 1.00 0.10 H ATOM 87 2HD1 LEU 5 -11.687 -6.193 17.140 1.00 0.10 H ATOM 88 3HD1 LEU 5 -10.165 -6.497 16.293 1.00 0.10 H ATOM 89 CD2 LEU 5 -12.431 -8.741 17.574 1.00 -0.41 C ATOM 90 1HD2 LEU 5 -12.907 -8.043 18.268 1.00 0.10 H ATOM 91 2HD2 LEU 5 -13.037 -8.821 16.672 1.00 0.10 H ATOM 92 3HD2 LEU 5 -12.376 -9.715 18.058 1.00 0.10 H ATOM 93 N GLY 6 -6.841 -10.235 15.386 1.00 -0.42 N ATOM 94 H GLY 6 -6.928 -9.838 14.457 1.00 0.27 H ATOM 95 CA GLY 6 -5.548 -10.766 15.793 1.00 -0.03 C ATOM 96 1HA GLY 6 -5.666 -11.767 16.207 1.00 0.07 H ATOM 97 2HA GLY 6 -4.879 -10.800 14.933 1.00 0.07 H ATOM 98 C GLY 6 -4.959 -9.852 16.854 1.00 0.60 C ATOM 99 O GLY 6 -4.198 -10.275 17.718 1.00 -0.57 O ATOM 100 N ASN 7 -5.387 -8.595 16.831 1.00 -0.42 N ATOM 101 H ASN 7 -5.965 -8.289 16.065 1.00 0.27 H ATOM 102 CA ASN 7 -5.158 -7.679 17.946 1.00 0.01 C ATOM 103 HA ASN 7 -4.091 -7.606 18.161 1.00 0.10 H ATOM 104 C ASN 7 -5.880 -8.240 19.170 1.00 0.60 C ATOM 105 O ASN 7 -6.874 -8.949 19.036 1.00 -0.57 O ATOM 106 CB ASN 7 -5.722 -6.290 17.628 1.00 -0.20 C ATOM 107 1HB ASN 7 -6.712 -6.390 17.186 1.00 0.08 H ATOM 108 2HB ASN 7 -5.810 -5.724 18.554 1.00 0.08 H ATOM 109 CG ASN 7 -4.829 -5.503 16.709 1.00 0.71 C ATOM 110 OD1 ASN 7 -3.798 -5.014 17.129 1.00 -0.59 O ATOM 111 ND2 ASN 7 -5.208 -5.366 15.469 1.00 -0.92 N ATOM 112 1HD2 ASN 7 -4.618 -4.842 14.846 1.00 0.42 H ATOM 113 2HD2 ASN 7 -6.073 -5.786 15.144 1.00 0.42 H ATOM 114 N LEU 8 -5.426 -7.866 20.359 1.00 -0.42 N ATOM 115 H LEU 8 -4.645 -7.230 20.411 1.00 0.27 H ATOM 116 CA LEU 8 -5.969 -8.387 21.621 1.00 -0.05 C ATOM 117 HA LEU 8 -5.849 -9.471 21.630 1.00 0.09 H ATOM 118 C LEU 8 -7.454 -8.115 21.855 1.00 0.60 C ATOM 119 O LEU 8 -8.068 -8.767 22.684 1.00 -0.57 O ATOM 120 CB LEU 8 -5.196 -7.809 22.813 1.00 -0.11 C ATOM 121 1HB LEU 8 -4.973 -6.763 22.607 1.00 0.05 H ATOM 122 2HB LEU 8 -5.875 -7.824 23.664 1.00 0.05 H ATOM 123 CG LEU 8 -3.913 -8.508 23.286 1.00 0.35 C ATOM 124 HG LEU 8 -4.142 -9.557 23.466 1.00 -0.04 H ATOM 125 CD1 LEU 8 -2.758 -8.437 22.284 1.00 -0.41 C ATOM 126 1HD1 LEU 8 -2.513 -7.399 22.059 1.00 0.10 H ATOM 127 2HD1 LEU 8 -1.879 -8.927 22.706 1.00 0.10 H ATOM 128 3HD1 LEU 8 -3.028 -8.961 21.367 1.00 0.10 H ATOM 129 CD2 LEU 8 -3.475 -7.887 24.610 1.00 -0.41 C ATOM 130 1HD2 LEU 8 -2.600 -8.412 24.994 1.00 0.10 H ATOM 131 2HD2 LEU 8 -3.236 -6.831 24.479 1.00 0.10 H ATOM 132 3HD2 LEU 8 -4.281 -7.981 25.345 1.00 0.10 H ATOM 133 N LEU 9 -8.035 -7.216 21.069 1.00 -0.42 N ATOM 134 H LEU 9 -7.470 -6.788 20.362 1.00 0.27 H ATOM 135 CA LEU 9 -9.444 -6.809 21.142 1.00 -0.05 C ATOM 136 HA LEU 9 -9.622 -6.429 22.147 1.00 0.09 H ATOM 137 C LEU 9 -10.480 -7.926 20.896 1.00 0.60 C ATOM 138 O LEU 9 -11.686 -7.718 20.917 1.00 -0.57 O ATOM 139 CB LEU 9 -9.620 -5.648 20.153 1.00 -0.11 C ATOM 140 1HB LEU 9 -8.753 -5.000 20.280 1.00 0.05 H ATOM 141 2HB LEU 9 -9.565 -6.063 19.149 1.00 0.05 H ATOM 142 CG LEU 9 -10.858 -4.735 20.214 1.00 0.35 C ATOM 143 HG LEU 9 -11.747 -5.326 20.008 1.00 -0.04 H ATOM 144 CD1 LEU 9 -11.026 -4.058 21.571 1.00 -0.41 C ATOM 145 1HD1 LEU 9 -11.887 -3.392 21.553 1.00 0.10 H ATOM 146 2HD1 LEU 9 -11.206 -4.813 22.344 1.00 0.10 H ATOM 147 3HD1 LEU 9 -10.134 -3.492 21.836 1.00 0.10 H ATOM 148 CD2 LEU 9 -10.739 -3.664 19.127 1.00 -0.41 C ATOM 149 1HD2 LEU 9 -10.643 -4.136 18.150 1.00 0.10 H ATOM 150 2HD2 LEU 9 -11.639 -3.049 19.129 1.00 0.10 H ATOM 151 3HD2 LEU 9 -9.873 -3.028 19.315 1.00 0.10 H ATOM 152 N ASN 10 -10.015 -9.153 20.718 1.00 -0.42 N ATOM 153 H ASN 10 -9.014 -9.283 20.692 1.00 0.27 H ATOM 154 CA ASN 10 -10.875 -10.335 20.710 1.00 0.01 C ATOM 155 HA ASN 10 -11.830 -10.061 20.264 1.00 0.10 H ATOM 156 C ASN 10 -11.140 -10.825 22.150 1.00 0.60 C ATOM 157 O ASN 10 -11.241 -12.031 22.379 1.00 -0.57 O ATOM 158 CB ASN 10 -10.218 -11.429 19.851 1.00 -0.20 C ATOM 159 1HB ASN 10 -9.603 -10.943 19.100 1.00 0.08 H ATOM 160 2HB ASN 10 -9.570 -12.045 20.474 1.00 0.08 H ATOM 161 CG ASN 10 -11.226 -12.310 19.125 1.00 0.71 C ATOM 162 OD1 ASN 10 -11.151 -12.483 17.908 1.00 -0.59 O ATOM 163 ND2 ASN 10 -12.139 -12.898 19.840 1.00 -0.92 N ATOM 164 1HD2 ASN 10 -12.838 -13.461 19.391 1.00 0.42 H ATOM 165 2HD2 ASN 10 -12.122 -12.786 20.853 1.00 0.42 H ATOM 166 N GLY 11 -11.240 -9.922 23.118 1.00 -0.42 N ATOM 167 H GLY 11 -11.155 -8.927 22.911 1.00 0.27 H ATOM 168 CA GLY 11 -11.544 -10.302 24.493 1.00 -0.03 C ATOM 169 1HA GLY 11 -12.218 -9.545 24.896 1.00 0.07 H ATOM 170 2HA GLY 11 -12.079 -11.251 24.497 1.00 0.07 H ATOM 171 C GLY 11 -10.380 -10.408 25.459 1.00 0.60 C ATOM 172 O GLY 11 -10.558 -10.857 26.589 1.00 -0.57 O ATOM 173 N LEU 12 -9.198 -9.972 25.044 1.00 -0.42 N ATOM 174 H LEU 12 -9.091 -9.650 24.085 1.00 0.27 H ATOM 175 CA LEU 12 -8.035 -9.843 25.933 1.00 -0.05 C ATOM 176 HA LEU 12 -8.252 -10.293 26.901 1.00 0.09 H ATOM 177 C LEU 12 -7.773 -8.348 26.128 1.00 0.60 C ATOM 178 O LEU 12 -6.806 -7.935 26.772 1.00 -0.57 O ATOM 179 CB LEU 12 -6.802 -10.516 25.320 1.00 -0.11 C ATOM 180 1HB LEU 12 -6.566 -9.991 24.399 1.00 0.05 H ATOM 181 2HB LEU 12 -5.966 -10.369 26.004 1.00 0.05 H ATOM 182 CG LEU 12 -6.885 -12.012 24.986 1.00 0.35 C ATOM 183 HG LEU 12 -7.719 -12.175 24.304 1.00 -0.04 H ATOM 184 CD1 LEU 12 -5.601 -12.438 24.272 1.00 -0.41 C ATOM 185 1HD1 LEU 12 -5.665 -13.492 24.003 1.00 0.10 H ATOM 186 2HD1 LEU 12 -5.475 -11.851 23.362 1.00 0.10 H ATOM 187 3HD1 LEU 12 -4.739 -12.284 24.923 1.00 0.10 H ATOM 188 CD2 LEU 12 -7.098 -12.881 26.227 1.00 -0.41 C ATOM 189 1HD2 LEU 12 -8.058 -12.634 26.685 1.00 0.10 H ATOM 190 2HD2 LEU 12 -7.115 -13.932 25.941 1.00 0.10 H ATOM 191 3HD2 LEU 12 -6.299 -12.711 26.950 1.00 0.10 H ATOM 192 N LEU 13 -8.648 -7.572 25.507 1.00 -0.42 N ATOM 193 H LEU 13 -9.408 -8.005 24.993 1.00 0.27 H ATOM 194 CA LEU 13 -8.696 -6.116 25.476 1.00 -0.05 C ATOM 195 HA LEU 13 -8.609 -5.683 26.471 1.00 0.09 H ATOM 196 C LEU 13 -10.110 -5.943 24.929 1.00 0.60 C ATOM 197 O LEU 13 -10.741 -4.887 25.091 1.00 -0.57 O ATOM 198 OXT LEU 13 -10.559 -6.954 24.326 1.00 -0.57 O ATOM 199 CB LEU 13 -7.649 -5.558 24.504 1.00 -0.11 C ATOM 200 1HB LEU 13 -6.667 -5.815 24.897 1.00 0.05 H ATOM 201 2HB LEU 13 -7.782 -6.088 23.570 1.00 0.05 H ATOM 202 CG LEU 13 -7.650 -4.063 24.172 1.00 0.35 C ATOM 203 HG LEU 13 -8.620 -3.790 23.763 1.00 -0.04 H ATOM 204 CD1 LEU 13 -7.380 -3.208 25.400 1.00 -0.41 C ATOM 205 1HD1 LEU 13 -7.333 -2.158 25.116 1.00 0.10 H ATOM 206 2HD1 LEU 13 -8.202 -3.336 26.107 1.00 0.10 H ATOM 207 3HD1 LEU 13 -6.446 -3.508 25.874 1.00 0.10 H ATOM 208 CD2 LEU 13 -6.592 -3.803 23.101 1.00 -0.41 C ATOM 209 1HD2 LEU 13 -6.825 -4.388 22.213 1.00 0.10 H ATOM 210 2HD2 LEU 13 -6.602 -2.746 22.835 1.00 0.10 H ATOM 211 3HD2 LEU 13 -5.605 -4.074 23.475 1.00 0.10 H TER 212 LEU 13 END
SEQUENCE	ILPILGNLLNGLL
HELICITY	92.30	INSTAB. INDEX	35.58	FLEXIBILITY	14.05
a HYD. MOM.	56.85	b HYD. MOM.	25.48	c HYD. MOM	3.61
a MEAN HYD. MOM.	4.37	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	-2.15
ΔG	-5,60	CPP	-0,60	MLP	3
MOLECULAR VOLUME		POLARITY
MIC E. coli	100	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	100	MIC M. luteus		MIC B. subtilis
MIC C. albicans	100	OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Rana	SPECIES	Rana pirica
DATE	2004
TITLE PAPER	A family of brevinin-2 peptides with potent activity against Pseudomonas aeruginosa from the skin of the Hokkaido frog, Rana pirica