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ID	517	NAME	Frenatin-2   Blast NCBI-PROT
LENGTH	15	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\GLLGTLGNLLNGLGL.pdb REMARK YASARA Written on: Wed May 14 18:25:13 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 213 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 15 GLY LEU LEU GLY THR LEU GLY ASN LEU LEU ASN GLY LEU SEQRES 2 15 GLY LEU ATOM 1 N GLY 1 -6.481 -11.669 21.435 1.00 -0.42 N ATOM 2 1H GLY 1 -5.779 -11.499 22.143 1.00 -0.42 H ATOM 3 2H GLY 1 -7.318 -12.014 21.885 1.00 -0.42 H ATOM 4 3H GLY 1 -6.140 -12.367 20.790 1.00 0.27 H ATOM 5 CA GLY 1 -6.775 -10.421 20.715 1.00 -0.03 C ATOM 6 1HA GLY 1 -7.181 -9.696 21.411 1.00 0.07 H ATOM 7 2HA GLY 1 -5.847 -10.030 20.302 1.00 0.07 H ATOM 8 C GLY 1 -7.755 -10.655 19.598 1.00 0.60 C ATOM 9 O GLY 1 -8.158 -11.792 19.401 1.00 -0.57 O ATOM 10 N LEU 2 -8.082 -9.607 18.850 1.00 -0.42 N ATOM 11 H LEU 2 -7.835 -8.675 19.195 1.00 0.27 H ATOM 12 CA LEU 2 -8.685 -9.633 17.504 1.00 -0.05 C ATOM 13 HA LEU 2 -8.859 -8.587 17.252 1.00 0.09 H ATOM 14 C LEU 2 -10.010 -10.332 17.150 1.00 0.60 C ATOM 15 O LEU 2 -10.824 -9.726 16.463 1.00 -0.57 O ATOM 16 CB LEU 2 -7.604 -10.142 16.535 1.00 -0.11 C ATOM 17 1HB LEU 2 -6.702 -9.557 16.716 1.00 0.05 H ATOM 18 2HB LEU 2 -7.378 -11.169 16.813 1.00 0.05 H ATOM 19 CG LEU 2 -7.867 -10.132 15.020 1.00 0.35 C ATOM 20 HG LEU 2 -8.777 -10.693 14.815 1.00 -0.04 H ATOM 21 CD1 LEU 2 -8.030 -8.717 14.465 1.00 -0.41 C ATOM 22 1HD1 LEU 2 -8.162 -8.760 13.383 1.00 0.10 H ATOM 23 2HD1 LEU 2 -8.915 -8.248 14.897 1.00 0.10 H ATOM 24 3HD1 LEU 2 -7.151 -8.113 14.694 1.00 0.10 H ATOM 25 CD2 LEU 2 -6.714 -10.839 14.316 1.00 -0.41 C ATOM 26 1HD2 LEU 2 -5.776 -10.310 14.494 1.00 0.10 H ATOM 27 2HD2 LEU 2 -6.626 -11.863 14.680 1.00 0.10 H ATOM 28 3HD2 LEU 2 -6.906 -10.871 13.242 1.00 0.10 H ATOM 29 N LEU 3 -10.213 -11.592 17.504 1.00 -0.42 N ATOM 30 H LEU 3 -9.627 -11.998 18.230 1.00 0.27 H ATOM 31 CA LEU 3 -11.136 -12.471 16.768 1.00 -0.05 C ATOM 32 HA LEU 3 -10.894 -12.351 15.714 1.00 0.09 H ATOM 33 C LEU 3 -12.647 -12.198 16.861 1.00 0.60 C ATOM 34 O LEU 3 -13.370 -12.833 17.626 1.00 -0.57 O ATOM 35 CB LEU 3 -10.887 -13.948 17.135 1.00 -0.11 C ATOM 36 1HB LEU 3 -10.922 -14.029 18.221 1.00 0.05 H ATOM 37 2HB LEU 3 -11.746 -14.504 16.759 1.00 0.05 H ATOM 38 CG LEU 3 -9.661 -14.741 16.641 1.00 0.35 C ATOM 39 HG LEU 3 -9.810 -15.773 16.954 1.00 -0.04 H ATOM 40 CD1 LEU 3 -9.576 -14.738 15.111 1.00 -0.41 C ATOM 41 1HD1 LEU 3 -8.791 -15.423 14.788 1.00 0.10 H ATOM 42 2HD1 LEU 3 -10.522 -15.078 14.686 1.00 0.10 H ATOM 43 3HD1 LEU 3 -9.350 -13.738 14.739 1.00 0.10 H ATOM 44 CD2 LEU 3 -8.321 -14.297 17.214 1.00 -0.41 C ATOM 45 1HD2 LEU 3 -8.067 -13.300 16.863 1.00 0.10 H ATOM 46 2HD2 LEU 3 -8.369 -14.297 18.304 1.00 0.10 H ATOM 47 3HD2 LEU 3 -7.541 -14.994 16.906 1.00 0.10 H ATOM 48 N GLY 4 -13.149 -11.300 16.027 1.00 -0.42 N ATOM 49 H GLY 4 -12.518 -10.652 15.566 1.00 0.27 H ATOM 50 CA GLY 4 -14.581 -11.209 15.778 1.00 -0.03 C ATOM 51 1HA GLY 4 -14.764 -10.490 14.980 1.00 0.07 H ATOM 52 2HA GLY 4 -14.932 -12.186 15.448 1.00 0.07 H ATOM 53 C GLY 4 -15.388 -10.806 16.994 1.00 0.60 C ATOM 54 O GLY 4 -14.981 -9.954 17.775 1.00 -0.57 O ATOM 55 N THR 5 -16.525 -11.454 17.198 1.00 -0.42 N ATOM 56 H THR 5 -16.837 -12.165 16.553 1.00 0.27 H ATOM 57 CA THR 5 -17.357 -11.196 18.373 1.00 -0.04 C ATOM 58 HA THR 5 -17.501 -10.122 18.493 1.00 0.10 H ATOM 59 C THR 5 -16.714 -11.727 19.652 1.00 0.60 C ATOM 60 O THR 5 -16.965 -11.207 20.735 1.00 -0.57 O ATOM 61 CB THR 5 -18.724 -11.872 18.199 1.00 0.37 C ATOM 62 HB THR 5 -19.277 -11.841 19.138 1.00 0.00 H ATOM 63 OG1 THR 5 -18.509 -13.223 17.781 1.00 -0.68 O ATOM 64 HG1 THR 5 -19.362 -13.669 17.758 1.00 0.41 H ATOM 65 CG2 THR 5 -19.540 -11.203 17.103 1.00 -0.24 C ATOM 66 1HG2 THR 5 -20.527 -11.665 17.055 1.00 0.06 H ATOM 67 2HG2 THR 5 -19.662 -10.142 17.328 1.00 0.06 H ATOM 68 3HG2 THR 5 -19.049 -11.314 16.137 1.00 0.06 H ATOM 69 N LEU 6 -15.818 -12.702 19.540 1.00 -0.42 N ATOM 70 H LEU 6 -15.612 -13.096 18.632 1.00 0.27 H ATOM 71 CA LEU 6 -15.077 -13.194 20.707 1.00 -0.05 C ATOM 72 HA LEU 6 -15.768 -13.349 21.535 1.00 0.09 H ATOM 73 C LEU 6 -14.069 -12.126 21.106 1.00 0.60 C ATOM 74 O LEU 6 -13.655 -12.032 22.258 1.00 -0.57 O ATOM 75 CB LEU 6 -14.343 -14.505 20.402 1.00 -0.11 C ATOM 76 1HB LEU 6 -13.611 -14.307 19.623 1.00 0.05 H ATOM 77 2HB LEU 6 -13.794 -14.796 21.297 1.00 0.05 H ATOM 78 CG LEU 6 -15.185 -15.709 19.954 1.00 0.35 C ATOM 79 HG LEU 6 -15.773 -15.422 19.083 1.00 -0.04 H ATOM 80 CD1 LEU 6 -14.251 -16.842 19.544 1.00 -0.41 C ATOM 81 1HD1 LEU 6 -13.595 -16.510 18.738 1.00 0.10 H ATOM 82 2HD1 LEU 6 -13.644 -17.162 20.393 1.00 0.10 H ATOM 83 3HD1 LEU 6 -14.836 -17.689 19.185 1.00 0.10 H ATOM 84 CD2 LEU 6 -16.140 -16.194 21.045 1.00 -0.41 C ATOM 85 1HD2 LEU 6 -16.694 -17.063 20.688 1.00 0.10 H ATOM 86 2HD2 LEU 6 -15.582 -16.470 21.941 1.00 0.10 H ATOM 87 3HD2 LEU 6 -16.856 -15.411 21.292 1.00 0.10 H ATOM 88 N GLY 7 -13.763 -11.252 20.159 1.00 -0.42 N ATOM 89 H GLY 7 -14.144 -11.379 19.227 1.00 0.27 H ATOM 90 CA GLY 7 -12.938 -10.083 20.392 1.00 -0.03 C ATOM 91 1HA GLY 7 -11.957 -10.399 20.736 1.00 0.07 H ATOM 92 2HA GLY 7 -12.819 -9.546 19.450 1.00 0.07 H ATOM 93 C GLY 7 -13.525 -9.139 21.420 1.00 0.60 C ATOM 94 O GLY 7 -12.763 -8.393 22.019 1.00 -0.57 O ATOM 95 N ASN 8 -14.813 -9.219 21.727 1.00 -0.42 N ATOM 96 H ASN 8 -15.423 -9.855 21.222 1.00 0.27 H ATOM 97 CA ASN 8 -15.374 -8.423 22.821 1.00 0.01 C ATOM 98 HA ASN 8 -15.212 -7.365 22.608 1.00 0.10 H ATOM 99 C ASN 8 -14.696 -8.747 24.155 1.00 0.60 C ATOM 100 O ASN 8 -14.551 -7.888 25.012 1.00 -0.57 O ATOM 101 CB ASN 8 -16.878 -8.676 22.952 1.00 -0.20 C ATOM 102 1HB ASN 8 -17.346 -8.574 21.974 1.00 0.08 H ATOM 103 2HB ASN 8 -17.036 -9.689 23.317 1.00 0.08 H ATOM 104 CG ASN 8 -17.535 -7.705 23.899 1.00 0.71 C ATOM 105 OD1 ASN 8 -17.436 -6.506 23.733 1.00 -0.59 O ATOM 106 ND2 ASN 8 -18.219 -8.213 24.887 1.00 -0.92 N ATOM 107 1HD2 ASN 8 -18.649 -7.575 25.534 1.00 0.42 H ATOM 108 2HD2 ASN 8 -18.301 -9.206 24.994 1.00 0.42 H ATOM 109 N LEU 9 -14.238 -9.983 24.311 1.00 -0.42 N ATOM 110 H LEU 9 -14.405 -10.671 23.586 1.00 0.27 H ATOM 111 CA LEU 9 -13.415 -10.360 25.460 1.00 -0.05 C ATOM 112 HA LEU 9 -13.581 -9.660 26.280 1.00 0.09 H ATOM 113 C LEU 9 -11.942 -10.309 25.076 1.00 0.60 C ATOM 114 O LEU 9 -11.131 -9.669 25.735 1.00 -0.57 O ATOM 115 CB LEU 9 -13.765 -11.782 25.919 1.00 -0.11 C ATOM 116 1HB LEU 9 -14.817 -11.796 26.200 1.00 0.05 H ATOM 117 2HB LEU 9 -13.644 -12.449 25.066 1.00 0.05 H ATOM 118 CG LEU 9 -12.942 -12.371 27.079 1.00 0.35 C ATOM 119 HG LEU 9 -11.891 -12.376 26.794 1.00 -0.04 H ATOM 120 CD1 LEU 9 -13.080 -11.577 28.377 1.00 -0.41 C ATOM 121 1HD1 LEU 9 -12.679 -10.572 28.242 1.00 0.10 H ATOM 122 2HD1 LEU 9 -14.128 -11.511 28.671 1.00 0.10 H ATOM 123 3HD1 LEU 9 -12.512 -12.065 29.170 1.00 0.10 H ATOM 124 CD2 LEU 9 -13.367 -13.817 27.314 1.00 -0.41 C ATOM 125 1HD2 LEU 9 -14.414 -13.862 27.616 1.00 0.10 H ATOM 126 2HD2 LEU 9 -13.229 -14.399 26.402 1.00 0.10 H ATOM 127 3HD2 LEU 9 -12.749 -14.258 28.097 1.00 0.10 H ATOM 128 N LEU 10 -11.596 -10.996 23.999 1.00 -0.42 N ATOM 129 H LEU 10 -12.321 -11.431 23.434 1.00 0.27 H ATOM 130 CA LEU 10 -10.200 -11.246 23.641 1.00 -0.05 C ATOM 131 HA LEU 10 -9.683 -11.704 24.487 1.00 0.09 H ATOM 132 C LEU 10 -9.435 -9.983 23.280 1.00 0.60 C ATOM 133 O LEU 10 -8.241 -9.890 23.510 1.00 -0.57 O ATOM 134 CB LEU 10 -10.139 -12.211 22.449 1.00 -0.11 C ATOM 135 1HB LEU 10 -10.961 -11.968 21.783 1.00 0.05 H ATOM 136 2HB LEU 10 -9.222 -11.988 21.912 1.00 0.05 H ATOM 137 CG LEU 10 -10.142 -13.733 22.670 1.00 0.35 C ATOM 138 HG LEU 10 -9.226 -14.005 23.189 1.00 -0.04 H ATOM 139 CD1 LEU 10 -11.317 -14.275 23.485 1.00 -0.41 C ATOM 140 1HD1 LEU 10 -12.261 -14.013 23.014 1.00 0.10 H ATOM 141 2HD1 LEU 10 -11.240 -15.360 23.559 1.00 0.10 H ATOM 142 3HD1 LEU 10 -11.281 -13.862 24.493 1.00 0.10 H ATOM 143 CD2 LEU 10 -10.131 -14.403 21.292 1.00 -0.41 C ATOM 144 1HD2 LEU 10 -9.255 -14.078 20.731 1.00 0.10 H ATOM 145 2HD2 LEU 10 -10.074 -15.485 21.414 1.00 0.10 H ATOM 146 3HD2 LEU 10 -11.036 -14.152 20.738 1.00 0.10 H ATOM 147 N ASN 11 -10.087 -8.977 22.722 1.00 -0.42 N ATOM 148 H ASN 11 -11.095 -9.014 22.583 1.00 0.27 H ATOM 149 CA ASN 11 -9.360 -7.776 22.322 1.00 0.01 C ATOM 150 HA ASN 11 -8.340 -8.059 22.069 1.00 0.10 H ATOM 151 C ASN 11 -9.271 -6.776 23.470 1.00 0.60 C ATOM 152 O ASN 11 -8.570 -5.782 23.363 1.00 -0.57 O ATOM 153 CB ASN 11 -9.982 -7.133 21.085 1.00 -0.20 C ATOM 154 1HB ASN 11 -10.400 -7.910 20.448 1.00 0.08 H ATOM 155 2HB ASN 11 -10.786 -6.468 21.397 1.00 0.08 H ATOM 156 CG ASN 11 -8.971 -6.365 20.282 1.00 0.71 C ATOM 157 OD1 ASN 11 -7.977 -6.930 19.842 1.00 -0.59 O ATOM 158 ND2 ASN 11 -9.216 -5.107 20.049 1.00 -0.92 N ATOM 159 1HD2 ASN 11 -8.558 -4.584 19.497 1.00 0.42 H ATOM 160 2HD2 ASN 11 -10.032 -4.668 20.440 1.00 0.42 H ATOM 161 N GLY 12 -9.961 -7.066 24.567 1.00 -0.42 N ATOM 162 H GLY 12 -10.573 -7.871 24.583 1.00 0.27 H ATOM 163 CA GLY 12 -9.815 -6.280 25.784 1.00 -0.03 C ATOM 164 1HA GLY 12 -9.482 -5.271 25.544 1.00 0.07 H ATOM 165 2HA GLY 12 -10.771 -6.227 26.304 1.00 0.07 H ATOM 166 C GLY 12 -8.793 -6.935 26.694 1.00 0.60 C ATOM 167 O GLY 12 -7.975 -6.276 27.318 1.00 -0.57 O ATOM 168 N LEU 13 -8.824 -8.260 26.725 1.00 -0.42 N ATOM 169 H LEU 13 -9.560 -8.748 26.224 1.00 0.27 H ATOM 170 CA LEU 13 -7.867 -9.074 27.472 1.00 -0.05 C ATOM 171 HA LEU 13 -7.825 -8.737 28.508 1.00 0.09 H ATOM 172 C LEU 13 -6.471 -8.987 26.859 1.00 0.60 C ATOM 173 O LEU 13 -5.456 -9.130 27.533 1.00 -0.57 O ATOM 174 CB LEU 13 -8.353 -10.529 27.417 1.00 -0.11 C ATOM 175 1HB LEU 13 -9.395 -10.537 27.737 1.00 0.05 H ATOM 176 2HB LEU 13 -8.333 -10.840 26.372 1.00 0.05 H ATOM 177 CG LEU 13 -7.619 -11.609 28.224 1.00 0.35 C ATOM 178 HG LEU 13 -6.579 -11.635 27.906 1.00 -0.04 H ATOM 179 CD1 LEU 13 -7.653 -11.348 29.728 1.00 -0.41 C ATOM 180 1HD1 LEU 13 -7.121 -10.422 29.950 1.00 0.10 H ATOM 181 2HD1 LEU 13 -8.684 -11.267 30.073 1.00 0.10 H ATOM 182 3HD1 LEU 13 -7.155 -12.162 30.252 1.00 0.10 H ATOM 183 CD2 LEU 13 -8.253 -12.967 27.920 1.00 -0.41 C ATOM 184 1HD2 LEU 13 -9.304 -12.972 28.209 1.00 0.10 H ATOM 185 2HD2 LEU 13 -8.172 -13.175 26.848 1.00 0.10 H ATOM 186 3HD2 LEU 13 -7.723 -13.750 28.461 1.00 0.10 H ATOM 187 N GLY 14 -6.439 -8.799 25.550 1.00 -0.42 N ATOM 188 H GLY 14 -7.310 -8.736 25.044 1.00 0.27 H ATOM 189 CA GLY 14 -5.202 -8.760 24.789 1.00 -0.03 C ATOM 190 1HA GLY 14 -5.334 -8.109 23.926 1.00 0.07 H ATOM 191 2HA GLY 14 -4.393 -8.375 25.410 1.00 0.07 H ATOM 192 C GLY 14 -4.846 -10.151 24.304 1.00 0.60 C ATOM 193 O GLY 14 -4.479 -10.326 23.139 1.00 -0.57 O ATOM 194 N LEU 15 -5.006 -11.137 25.177 1.00 -0.42 N ATOM 195 H LEU 15 -5.327 -10.905 26.106 1.00 0.27 H ATOM 196 CA LEU 15 -4.759 -12.546 24.857 1.00 -0.05 C ATOM 197 HA LEU 15 -3.823 -12.626 24.307 1.00 0.09 H ATOM 198 C LEU 15 -5.874 -13.089 23.978 1.00 0.60 C ATOM 199 O LEU 15 -5.566 -13.824 23.020 1.00 -0.57 O ATOM 200 OXT LEU 15 -7.037 -12.680 24.176 1.00 -0.57 O ATOM 201 CB LEU 15 -4.678 -13.378 26.142 1.00 -0.11 C ATOM 202 1HB LEU 15 -5.663 -13.360 26.598 1.00 0.05 H ATOM 203 2HB LEU 15 -4.475 -14.409 25.853 1.00 0.05 H ATOM 204 CG LEU 15 -3.663 -12.970 27.218 1.00 0.35 C ATOM 205 HG LEU 15 -3.856 -11.939 27.513 1.00 -0.04 H ATOM 206 CD1 LEU 15 -3.865 -13.856 28.440 1.00 -0.41 C ATOM 207 1HD1 LEU 15 -3.181 -13.548 29.230 1.00 0.10 H ATOM 208 2HD1 LEU 15 -4.887 -13.747 28.803 1.00 0.10 H ATOM 209 3HD1 LEU 15 -3.680 -14.899 28.184 1.00 0.10 H ATOM 210 CD2 LEU 15 -2.222 -13.072 26.732 1.00 -0.41 C ATOM 211 1HD2 LEU 15 -2.009 -14.086 26.393 1.00 0.10 H ATOM 212 2HD2 LEU 15 -2.067 -12.377 25.907 1.00 0.10 H ATOM 213 3HD2 LEU 15 -1.542 -12.806 27.540 1.00 0.10 H TER 214 LEU 15 END
SEQUENCE	GLLGTLGNLLNGLGL
HELICITY	0.00	INSTAB. INDEX	-12.01	FLEXIBILITY	21.07
a HYD. MOM.	51.87	b HYD. MOM.	20.26	c HYD. MOM	2.61
a MEAN HYD. MOM.	3.46	b MEAN HYD. MOM.	1.35	c MEAN HYD. MOM.	0.17
CHARGE pH5	0.00	CHARGE pH7	0.00	CHARGE pH9	-0.17
Δ CHARGE pH5-pH9	0.17	ISOELECTRIC POINT	5.52	BOMAN INDEX	-1.55
ΔG	-1,05	CPP	-0,42	MLP	0,42
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	Hylidae	GENUS	Litoria	SPECIES	Litoria infrafrenata
DATE	1996
TITLE PAPER	The structures of the frenatin peptides from the skin secretion of the giant tree frog Litoria infrafrenata.