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ID	354	NAME	Dahlein-1.2   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\GLFDIIKNIFSGL.pdb REMARK YASARA Written on: Wed May 14 16:12:01 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 GLY LEU PHE ASP ILE ILE LYS ASN ILE PHE SER GLY LEU ATOM 1 N GLY 1 -12.196 -10.975 17.391 1.00 -0.42 N ATOM 2 1H GLY 1 -11.591 -11.785 17.362 1.00 -0.42 H ATOM 3 2H GLY 1 -12.501 -10.749 16.456 1.00 -0.42 H ATOM 4 3H GLY 1 -11.689 -10.192 17.780 1.00 0.27 H ATOM 5 CA GLY 1 -13.370 -11.271 18.242 1.00 -0.03 C ATOM 6 1HA GLY 1 -14.026 -10.402 18.261 1.00 0.07 H ATOM 7 2HA GLY 1 -13.899 -12.127 17.827 1.00 0.07 H ATOM 8 C GLY 1 -12.935 -11.593 19.648 1.00 0.60 C ATOM 9 O GLY 1 -11.789 -11.338 19.972 1.00 -0.57 O ATOM 10 N LEU 2 -13.816 -12.119 20.492 1.00 -0.42 N ATOM 11 H LEU 2 -14.751 -12.330 20.180 1.00 0.27 H ATOM 12 CA LEU 2 -13.493 -12.339 21.907 1.00 -0.05 C ATOM 13 HA LEU 2 -13.117 -11.399 22.312 1.00 0.09 H ATOM 14 C LEU 2 -12.438 -13.409 22.208 1.00 0.60 C ATOM 15 O LEU 2 -11.630 -13.248 23.107 1.00 -0.57 O ATOM 16 CB LEU 2 -14.788 -12.703 22.646 1.00 -0.11 C ATOM 17 1HB LEU 2 -15.538 -11.955 22.389 1.00 0.05 H ATOM 18 2HB LEU 2 -15.132 -13.663 22.261 1.00 0.05 H ATOM 19 CG LEU 2 -14.743 -12.809 24.182 1.00 0.35 C ATOM 20 HG LEU 2 -14.026 -13.579 24.458 1.00 -0.04 H ATOM 21 CD1 LEU 2 -14.330 -11.499 24.853 1.00 -0.41 C ATOM 22 1HD1 LEU 2 -13.302 -11.248 24.581 1.00 0.10 H ATOM 23 2HD1 LEU 2 -14.993 -10.687 24.556 1.00 0.10 H ATOM 24 3HD1 LEU 2 -14.367 -11.614 25.937 1.00 0.10 H ATOM 25 CD2 LEU 2 -16.116 -13.236 24.697 1.00 -0.41 C ATOM 26 1HD2 LEU 2 -16.868 -12.485 24.449 1.00 0.10 H ATOM 27 2HD2 LEU 2 -16.397 -14.193 24.257 1.00 0.10 H ATOM 28 3HD2 LEU 2 -16.076 -13.355 25.780 1.00 0.10 H ATOM 29 N PHE 3 -12.431 -14.508 21.468 1.00 -0.42 N ATOM 30 H PHE 3 -13.089 -14.621 20.715 1.00 0.27 H ATOM 31 CA PHE 3 -11.473 -15.589 21.732 1.00 -0.00 C ATOM 32 HA PHE 3 -11.282 -15.655 22.804 1.00 0.10 H ATOM 33 C PHE 3 -10.147 -15.304 21.031 1.00 0.60 C ATOM 34 O PHE 3 -9.128 -15.941 21.258 1.00 -0.57 O ATOM 35 CB PHE 3 -12.055 -16.926 21.256 1.00 -0.03 C ATOM 36 1HB PHE 3 -11.365 -17.724 21.531 1.00 0.03 H ATOM 37 2HB PHE 3 -12.997 -17.100 21.776 1.00 0.03 H ATOM 38 CG PHE 3 -12.307 -16.993 19.771 1.00 0.01 C ATOM 39 CD1 PHE 3 -13.542 -16.585 19.232 1.00 -0.13 C ATOM 40 HD1 PHE 3 -14.330 -16.244 19.888 1.00 0.13 H ATOM 41 CD2 PHE 3 -11.311 -17.476 18.902 1.00 -0.13 C ATOM 42 HD2 PHE 3 -10.362 -17.807 19.304 1.00 0.13 H ATOM 43 CE1 PHE 3 -13.775 -16.627 17.834 1.00 -0.17 C ATOM 44 HE1 PHE 3 -14.725 -16.309 17.432 1.00 0.14 H ATOM 45 CE2 PHE 3 -11.531 -17.533 17.503 1.00 -0.17 C ATOM 46 HE2 PHE 3 -10.759 -17.913 16.850 1.00 0.14 H ATOM 47 CZ PHE 3 -12.763 -17.098 16.968 1.00 -0.11 C ATOM 48 HZ PHE 3 -12.935 -17.134 15.903 1.00 0.13 H ATOM 49 N ASP 4 -10.197 -14.330 20.140 1.00 -0.52 N ATOM 50 H ASP 4 -11.065 -13.830 20.018 1.00 0.29 H ATOM 51 CA ASP 4 -9.109 -13.972 19.242 1.00 0.04 C ATOM 52 HA ASP 4 -8.196 -14.468 19.570 1.00 0.09 H ATOM 53 C ASP 4 -8.884 -12.467 19.323 1.00 0.54 C ATOM 54 O ASP 4 -8.898 -11.755 18.320 1.00 -0.58 O ATOM 55 CB ASP 4 -9.408 -14.440 17.806 1.00 -0.03 C ATOM 56 1HB ASP 4 -8.555 -14.187 17.179 1.00 -0.01 H ATOM 57 2HB ASP 4 -9.519 -15.522 17.807 1.00 -0.01 H ATOM 58 CG ASP 4 -10.670 -13.817 17.205 1.00 0.80 C ATOM 59 OD1 ASP 4 -10.600 -13.340 16.047 1.00 -0.55 O ATOM 60 OD2 ASP 4 -11.744 -13.795 17.845 1.00 -0.55 O ATOM 61 N ILE 5 -8.655 -11.974 20.533 1.00 -0.42 N ATOM 62 H ILE 5 -8.660 -12.590 21.335 1.00 0.27 H ATOM 63 CA ILE 5 -8.430 -10.541 20.757 1.00 -0.06 C ATOM 64 HA ILE 5 -9.299 -10.017 20.374 1.00 0.09 H ATOM 65 C ILE 5 -7.228 -9.984 19.989 1.00 0.60 C ATOM 66 O ILE 5 -7.236 -8.839 19.556 1.00 -0.57 O ATOM 67 CB ILE 5 -8.325 -10.191 22.269 1.00 0.13 C ATOM 68 HB ILE 5 -8.147 -9.119 22.346 1.00 0.02 H ATOM 69 CG1 ILE 5 -7.153 -10.937 22.943 1.00 -0.04 C ATOM 70 1HG1 ILE 5 -7.373 -12.004 22.956 1.00 0.02 H ATOM 71 2HG1 ILE 5 -6.253 -10.784 22.352 1.00 0.02 H ATOM 72 CG2 ILE 5 -9.663 -10.490 22.970 1.00 -0.32 C ATOM 73 1HG2 ILE 5 -10.493 -10.093 22.385 1.00 0.09 H ATOM 74 2HG2 ILE 5 -9.797 -11.561 23.109 1.00 0.09 H ATOM 75 3HG2 ILE 5 -9.674 -9.999 23.946 1.00 0.09 H ATOM 76 CD1 ILE 5 -6.834 -10.499 24.376 1.00 -0.07 C ATOM 77 1HD1 ILE 5 -6.651 -9.423 24.404 1.00 0.02 H ATOM 78 2HD1 ILE 5 -7.667 -10.735 25.039 1.00 0.02 H ATOM 79 3HD1 ILE 5 -5.944 -11.021 24.727 1.00 0.02 H ATOM 80 N ILE 6 -6.246 -10.820 19.688 1.00 -0.42 N ATOM 81 H ILE 6 -6.271 -11.757 20.054 1.00 0.27 H ATOM 82 CA ILE 6 -5.112 -10.418 18.850 1.00 -0.06 C ATOM 83 HA ILE 6 -4.691 -9.505 19.273 1.00 0.09 H ATOM 84 C ILE 6 -5.504 -10.090 17.402 1.00 0.60 C ATOM 85 O ILE 6 -4.766 -9.431 16.683 1.00 -0.57 O ATOM 86 CB ILE 6 -3.999 -11.503 18.896 1.00 0.13 C ATOM 87 HB ILE 6 -3.154 -11.143 18.307 1.00 0.02 H ATOM 88 CG1 ILE 6 -4.492 -12.834 18.289 1.00 -0.04 C ATOM 89 1HG1 ILE 6 -5.269 -13.251 18.929 1.00 0.02 H ATOM 90 2HG1 ILE 6 -4.930 -12.631 17.316 1.00 0.02 H ATOM 91 CG2 ILE 6 -3.521 -11.694 20.362 1.00 -0.32 C ATOM 92 1HG2 ILE 6 -2.614 -12.299 20.379 1.00 0.09 H ATOM 93 2HG2 ILE 6 -3.288 -10.723 20.805 1.00 0.09 H ATOM 94 3HG2 ILE 6 -4.285 -12.185 20.965 1.00 0.09 H ATOM 95 CD1 ILE 6 -3.411 -13.903 18.087 1.00 -0.07 C ATOM 96 1HD1 ILE 6 -2.600 -13.502 17.479 1.00 0.02 H ATOM 97 2HD1 ILE 6 -3.017 -14.230 19.050 1.00 0.02 H ATOM 98 3HD1 ILE 6 -3.846 -14.763 17.577 1.00 0.02 H ATOM 99 N LYS 7 -6.695 -10.505 16.987 1.00 -0.35 N ATOM 100 H LYS 7 -7.279 -11.039 17.627 1.00 0.28 H ATOM 101 CA LYS 7 -7.245 -10.203 15.662 1.00 -0.24 C ATOM 102 HA LYS 7 -6.477 -9.779 15.012 1.00 0.14 H ATOM 103 C LYS 7 -8.373 -9.190 15.796 1.00 0.73 C ATOM 104 O LYS 7 -9.025 -8.840 14.823 1.00 -0.59 O ATOM 105 CB LYS 7 -7.803 -11.480 15.028 1.00 -0.01 C ATOM 106 1HB LYS 7 -8.474 -11.944 15.745 1.00 0.04 H ATOM 107 2HB LYS 7 -8.382 -11.201 14.149 1.00 0.04 H ATOM 108 CG LYS 7 -6.748 -12.501 14.601 1.00 0.02 C ATOM 109 1HG LYS 7 -6.200 -12.102 13.748 1.00 0.01 H ATOM 110 2HG LYS 7 -6.048 -12.657 15.418 1.00 0.01 H ATOM 111 CD LYS 7 -7.347 -13.863 14.227 1.00 -0.05 C ATOM 112 1HD LYS 7 -6.530 -14.542 13.979 1.00 0.06 H ATOM 113 2HD LYS 7 -7.868 -14.264 15.094 1.00 0.06 H ATOM 114 CE LYS 7 -8.325 -13.815 13.049 1.00 -0.01 C ATOM 115 1HE LYS 7 -8.330 -12.811 12.620 1.00 0.11 H ATOM 116 2HE LYS 7 -7.992 -14.516 12.281 1.00 0.11 H ATOM 117 NZ LYS 7 -9.717 -14.184 13.494 1.00 -0.38 N ATOM 118 1HZ LYS 7 -9.746 -15.155 13.771 1.00 0.17 H ATOM 119 2HZ LYS 7 -9.990 -13.623 14.302 1.00 0.17 H ATOM 120 3HZ LYS 7 -10.379 -14.029 12.747 1.00 0.17 H ATOM 121 N ASN 8 -8.625 -8.728 17.011 1.00 -0.42 N ATOM 122 H ASN 8 -8.041 -9.010 17.794 1.00 0.27 H ATOM 123 CA ASN 8 -9.721 -7.800 17.282 1.00 0.01 C ATOM 124 HA ASN 8 -10.483 -7.895 16.510 1.00 0.10 H ATOM 125 C ASN 8 -9.220 -6.362 17.294 1.00 0.60 C ATOM 126 O ASN 8 -10.005 -5.419 17.356 1.00 -0.57 O ATOM 127 CB ASN 8 -10.342 -8.132 18.637 1.00 -0.20 C ATOM 128 1HB ASN 8 -10.400 -9.211 18.746 1.00 0.08 H ATOM 129 2HB ASN 8 -9.706 -7.737 19.429 1.00 0.08 H ATOM 130 CG ASN 8 -11.723 -7.575 18.791 1.00 0.71 C ATOM 131 OD1 ASN 8 -12.664 -8.104 18.207 1.00 -0.59 O ATOM 132 ND2 ASN 8 -11.872 -6.549 19.575 1.00 -0.92 N ATOM 133 1HD2 ASN 8 -12.784 -6.147 19.693 1.00 0.42 H ATOM 134 2HD2 ASN 8 -11.058 -6.145 20.026 1.00 0.42 H ATOM 135 N ILE 9 -7.904 -6.221 17.199 1.00 -0.42 N ATOM 136 H ILE 9 -7.342 -7.048 17.088 1.00 0.27 H ATOM 137 CA ILE 9 -7.173 -4.957 17.360 1.00 -0.06 C ATOM 138 HA ILE 9 -7.371 -4.599 18.370 1.00 0.09 H ATOM 139 C ILE 9 -7.532 -3.793 16.435 1.00 0.60 C ATOM 140 O ILE 9 -7.120 -2.665 16.664 1.00 -0.57 O ATOM 141 CB ILE 9 -5.646 -5.232 17.269 1.00 0.13 C ATOM 142 HB ILE 9 -5.120 -4.294 17.450 1.00 0.02 H ATOM 143 CG1 ILE 9 -5.265 -5.751 15.866 1.00 -0.04 C ATOM 144 1HG1 ILE 9 -5.721 -6.729 15.712 1.00 0.02 H ATOM 145 2HG1 ILE 9 -5.670 -5.070 15.118 1.00 0.02 H ATOM 146 CG2 ILE 9 -5.230 -6.235 18.370 1.00 -0.32 C ATOM 147 1HG2 ILE 9 -4.145 -6.242 18.474 1.00 0.09 H ATOM 148 2HG2 ILE 9 -5.664 -5.937 19.327 1.00 0.09 H ATOM 149 3HG2 ILE 9 -5.566 -7.243 18.133 1.00 0.09 H ATOM 150 CD1 ILE 9 -3.761 -5.884 15.605 1.00 -0.07 C ATOM 151 1HD1 ILE 9 -3.262 -4.935 15.805 1.00 0.02 H ATOM 152 2HD1 ILE 9 -3.336 -6.663 16.239 1.00 0.02 H ATOM 153 3HD1 ILE 9 -3.600 -6.158 14.562 1.00 0.02 H ATOM 154 N PHE 10 -8.372 -4.042 15.442 1.00 -0.42 N ATOM 155 H PHE 10 -8.661 -4.990 15.272 1.00 0.27 H ATOM 156 CA PHE 10 -8.979 -2.978 14.645 1.00 -0.00 C ATOM 157 HA PHE 10 -8.201 -2.298 14.299 1.00 0.10 H ATOM 158 C PHE 10 -9.986 -2.168 15.476 1.00 0.60 C ATOM 159 O PHE 10 -10.391 -1.083 15.073 1.00 -0.57 O ATOM 160 CB PHE 10 -9.682 -3.598 13.431 1.00 -0.03 C ATOM 161 1HB PHE 10 -10.072 -2.795 12.804 1.00 0.03 H ATOM 162 2HB PHE 10 -8.947 -4.157 12.852 1.00 0.03 H ATOM 163 CG PHE 10 -10.815 -4.529 13.791 1.00 0.01 C ATOM 164 CD1 PHE 10 -12.113 -4.028 13.999 1.00 -0.13 C ATOM 165 HD1 PHE 10 -12.307 -2.971 13.875 1.00 0.13 H ATOM 166 CD2 PHE 10 -10.589 -5.913 13.927 1.00 -0.13 C ATOM 167 HD2 PHE 10 -9.607 -6.322 13.739 1.00 0.13 H ATOM 168 CE1 PHE 10 -13.171 -4.887 14.385 1.00 -0.17 C ATOM 169 HE1 PHE 10 -14.158 -4.483 14.562 1.00 0.14 H ATOM 170 CE2 PHE 10 -11.640 -6.785 14.304 1.00 -0.17 C ATOM 171 HE2 PHE 10 -11.455 -7.845 14.395 1.00 0.14 H ATOM 172 CZ PHE 10 -12.930 -6.268 14.549 1.00 -0.11 C ATOM 173 HZ PHE 10 -13.732 -6.926 14.850 1.00 0.13 H ATOM 174 N SER 11 -10.403 -2.708 16.616 1.00 -0.42 N ATOM 175 H SER 11 -10.062 -3.627 16.872 1.00 0.27 H ATOM 176 CA SER 11 -11.347 -2.042 17.517 1.00 -0.03 C ATOM 177 HA SER 11 -11.411 -0.989 17.243 1.00 0.08 H ATOM 178 C SER 11 -10.965 -2.093 18.998 1.00 0.60 C ATOM 179 O SER 11 -11.322 -1.193 19.753 1.00 -0.57 O ATOM 180 CB SER 11 -12.734 -2.661 17.341 1.00 0.21 C ATOM 181 1HB SER 11 -13.440 -2.158 18.003 1.00 0.04 H ATOM 182 2HB SER 11 -13.054 -2.518 16.309 1.00 0.04 H ATOM 183 OG SER 11 -12.719 -4.052 17.629 1.00 -0.65 O ATOM 184 HG SER 11 -12.072 -4.483 17.059 1.00 0.43 H ATOM 185 N GLY 12 -10.239 -3.116 19.431 1.00 -0.42 N ATOM 186 H GLY 12 -9.988 -3.882 18.816 1.00 0.27 H ATOM 187 CA GLY 12 -9.798 -3.196 20.815 1.00 -0.03 C ATOM 188 1HA GLY 12 -9.152 -2.348 21.038 1.00 0.07 H ATOM 189 2HA GLY 12 -10.660 -3.175 21.482 1.00 0.07 H ATOM 190 C GLY 12 -9.034 -4.483 21.031 1.00 0.60 C ATOM 191 O GLY 12 -9.031 -5.319 20.131 1.00 -0.57 O ATOM 192 N LEU 13 -8.410 -4.659 22.185 1.00 -0.42 N ATOM 193 H LEU 13 -8.507 -3.986 22.938 1.00 0.27 H ATOM 194 CA LEU 13 -7.609 -5.833 22.517 1.00 -0.05 C ATOM 195 HA LEU 13 -7.837 -6.681 21.873 1.00 0.09 H ATOM 196 C LEU 13 -8.070 -6.113 23.934 1.00 0.60 C ATOM 197 O LEU 13 -8.250 -7.277 24.330 1.00 -0.57 O ATOM 198 OXT LEU 13 -8.298 -5.080 24.603 1.00 -0.57 O ATOM 199 CB LEU 13 -6.114 -5.477 22.487 1.00 -0.11 C ATOM 200 1HB LEU 13 -5.859 -5.162 21.478 1.00 0.05 H ATOM 201 2HB LEU 13 -5.983 -4.620 23.147 1.00 0.05 H ATOM 202 CG LEU 13 -5.108 -6.546 22.936 1.00 0.35 C ATOM 203 HG LEU 13 -5.370 -6.875 23.940 1.00 -0.04 H ATOM 204 CD1 LEU 13 -5.078 -7.760 22.023 1.00 -0.41 C ATOM 205 1HD1 LEU 13 -4.782 -7.472 21.017 1.00 0.10 H ATOM 206 2HD1 LEU 13 -4.385 -8.499 22.419 1.00 0.10 H ATOM 207 3HD1 LEU 13 -6.071 -8.198 21.990 1.00 0.10 H ATOM 208 CD2 LEU 13 -3.716 -5.925 22.987 1.00 -0.41 C ATOM 209 1HD2 LEU 13 -3.721 -5.085 23.683 1.00 0.10 H ATOM 210 2HD2 LEU 13 -3.000 -6.664 23.342 1.00 0.10 H ATOM 211 3HD2 LEU 13 -3.421 -5.575 21.998 1.00 0.10 H TER 212 LEU 13 END
SEQUENCE	GLFDIIKNIFSGL
HELICITY	61.50	INSTAB. INDEX	45.99	FLEXIBILITY	14.50
a HYD. MOM.	66.32	b HYD. MOM.	26.99	c HYD. MOM	4.80
a MEAN HYD. MOM.	5.10	b MEAN HYD. MOM.	2.08	c MEAN HYD. MOM.	0.37
CHARGE pH5	0.07	CHARGE pH7	0.00	CHARGE pH9	-0.20
Δ CHARGE pH5-pH9	0.27	ISOELECTRIC POINT	5.84	BOMAN INDEX	-0.63
ΔG	0,77	CPP	-0,41	MLP	-0,89
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 dahlii
DATE	2001
TITLE PAPER	Bioactive dahlein peptides from the skin secretions of the Australian aquatic frog Litoria dahlii: sequence determination by electrospray mass spectrometry