Back to Resultset

ID	191	NAME	Orancis-protonectin   Blast NCBI-PROT
LENGTH	12	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\ILGIITSLLKSL.pdb REMARK YASARA Written on: Wed May 14 15:45:33 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 201 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 12 ILE LEU GLY ILE ILE THR SER LEU LEU LYS SER LEU ATOM 1 N ILE 1 -15.112 -11.954 9.844 1.00 -0.42 N ATOM 2 1H ILE 1 -15.750 -12.348 10.523 1.00 -0.42 H ATOM 3 2H ILE 1 -15.551 -11.174 9.377 1.00 -0.42 H ATOM 4 3H ILE 1 -14.879 -12.669 9.169 1.00 0.27 H ATOM 5 CA ILE 1 -13.872 -11.502 10.543 1.00 -0.06 C ATOM 6 HA ILE 1 -13.173 -11.135 9.792 1.00 0.09 H ATOM 7 C ILE 1 -13.243 -12.700 11.236 1.00 0.60 C ATOM 8 O ILE 1 -13.954 -13.661 11.457 1.00 -0.57 O ATOM 9 CB ILE 1 -14.228 -10.328 11.528 1.00 0.13 C ATOM 10 HB ILE 1 -14.787 -9.586 10.956 1.00 0.02 H ATOM 11 CG1 ILE 1 -12.978 -9.621 12.093 1.00 -0.04 C ATOM 12 1HG1 ILE 1 -13.312 -8.882 12.822 1.00 0.02 H ATOM 13 2HG1 ILE 1 -12.364 -10.344 12.627 1.00 0.02 H ATOM 14 CG2 ILE 1 -15.136 -10.790 12.701 1.00 -0.32 C ATOM 15 1HG2 ILE 1 -15.377 -9.935 13.340 1.00 0.09 H ATOM 16 2HG2 ILE 1 -16.079 -11.195 12.330 1.00 0.09 H ATOM 17 3HG2 ILE 1 -14.642 -11.548 13.312 1.00 0.09 H ATOM 18 CD1 ILE 1 -12.098 -8.897 11.064 1.00 -0.07 C ATOM 19 1HD1 ILE 1 -11.638 -9.605 10.374 1.00 0.02 H ATOM 20 2HD1 ILE 1 -12.696 -8.176 10.502 1.00 0.02 H ATOM 21 3HD1 ILE 1 -11.307 -8.355 11.585 1.00 0.02 H ATOM 22 N LEU 2 -11.948 -12.693 11.536 1.00 -0.42 N ATOM 23 H LEU 2 -11.379 -11.884 11.333 1.00 0.27 H ATOM 24 CA LEU 2 -11.290 -13.859 12.137 1.00 -0.05 C ATOM 25 HA LEU 2 -11.554 -14.747 11.561 1.00 0.09 H ATOM 26 C LEU 2 -11.708 -14.127 13.583 1.00 0.60 C ATOM 27 O LEU 2 -11.591 -15.243 14.068 1.00 -0.57 O ATOM 28 CB LEU 2 -9.768 -13.674 12.084 1.00 -0.11 C ATOM 29 1HB LEU 2 -9.525 -12.776 12.648 1.00 0.05 H ATOM 30 2HB LEU 2 -9.310 -14.522 12.594 1.00 0.05 H ATOM 31 CG LEU 2 -9.117 -13.555 10.695 1.00 0.35 C ATOM 32 HG LEU 2 -9.610 -12.752 10.148 1.00 -0.04 H ATOM 33 CD1 LEU 2 -7.645 -13.191 10.835 1.00 -0.41 C ATOM 34 1HD1 LEU 2 -7.541 -12.234 11.345 1.00 0.10 H ATOM 35 2HD1 LEU 2 -7.114 -13.961 11.399 1.00 0.10 H ATOM 36 3HD1 LEU 2 -7.191 -13.104 9.846 1.00 0.10 H ATOM 37 CD2 LEU 2 -9.248 -14.842 9.884 1.00 -0.41 C ATOM 38 1HD2 LEU 2 -10.296 -15.073 9.698 1.00 0.10 H ATOM 39 2HD2 LEU 2 -8.748 -14.726 8.921 1.00 0.10 H ATOM 40 3HD2 LEU 2 -8.788 -15.677 10.418 1.00 0.10 H ATOM 41 N GLY 3 -12.204 -13.106 14.270 1.00 -0.42 N ATOM 42 H GLY 3 -12.232 -12.196 13.851 1.00 0.27 H ATOM 43 CA GLY 3 -12.763 -13.273 15.607 1.00 -0.03 C ATOM 44 1HA GLY 3 -13.387 -12.409 15.833 1.00 0.07 H ATOM 45 2HA GLY 3 -13.410 -14.152 15.598 1.00 0.07 H ATOM 46 C GLY 3 -11.775 -13.442 16.746 1.00 0.60 C ATOM 47 O GLY 3 -11.673 -12.571 17.603 1.00 -0.57 O ATOM 48 N ILE 4 -10.999 -14.516 16.734 1.00 -0.42 N ATOM 49 H ILE 4 -11.088 -15.168 15.956 1.00 0.27 H ATOM 50 CA ILE 4 -10.045 -14.836 17.803 1.00 -0.06 C ATOM 51 HA ILE 4 -10.592 -14.852 18.747 1.00 0.09 H ATOM 52 C ILE 4 -8.932 -13.801 17.961 1.00 0.60 C ATOM 53 O ILE 4 -8.312 -13.683 19.016 1.00 -0.57 O ATOM 54 CB ILE 4 -9.432 -16.253 17.586 1.00 0.13 C ATOM 55 HB ILE 4 -8.794 -16.478 18.442 1.00 0.02 H ATOM 56 CG1 ILE 4 -8.569 -16.305 16.305 1.00 -0.04 C ATOM 57 1HG1 ILE 4 -9.214 -16.170 15.437 1.00 0.02 H ATOM 58 2HG1 ILE 4 -7.855 -15.484 16.326 1.00 0.02 H ATOM 59 CG2 ILE 4 -10.568 -17.309 17.541 1.00 -0.32 C ATOM 60 1HG2 ILE 4 -11.145 -17.227 16.619 1.00 0.09 H ATOM 61 2HG2 ILE 4 -10.143 -18.312 17.598 1.00 0.09 H ATOM 62 3HG2 ILE 4 -11.235 -17.178 18.395 1.00 0.09 H ATOM 63 CD1 ILE 4 -7.766 -17.597 16.108 1.00 -0.07 C ATOM 64 1HD1 ILE 4 -7.125 -17.492 15.232 1.00 0.02 H ATOM 65 2HD1 ILE 4 -7.142 -17.786 16.983 1.00 0.02 H ATOM 66 3HD1 ILE 4 -8.438 -18.441 15.950 1.00 0.02 H ATOM 67 N ILE 5 -8.747 -12.979 16.938 1.00 -0.42 N ATOM 68 H ILE 5 -9.292 -13.123 16.106 1.00 0.27 H ATOM 69 CA ILE 5 -7.799 -11.867 16.970 1.00 -0.06 C ATOM 70 HA ILE 5 -6.819 -12.262 17.238 1.00 0.09 H ATOM 71 C ILE 5 -8.144 -10.805 18.015 1.00 0.60 C ATOM 72 O ILE 5 -7.283 -10.016 18.396 1.00 -0.57 O ATOM 73 CB ILE 5 -7.681 -11.207 15.569 1.00 0.13 C ATOM 74 HB ILE 5 -6.973 -10.380 15.644 1.00 0.02 H ATOM 75 CG1 ILE 5 -9.043 -10.647 15.099 1.00 -0.04 C ATOM 76 1HG1 ILE 5 -9.728 -11.476 14.927 1.00 0.02 H ATOM 77 2HG1 ILE 5 -9.459 -10.026 15.892 1.00 0.02 H ATOM 78 CG2 ILE 5 -7.102 -12.238 14.570 1.00 -0.32 C ATOM 79 1HG2 ILE 5 -7.801 -13.053 14.390 1.00 0.09 H ATOM 80 2HG2 ILE 5 -6.868 -11.749 13.624 1.00 0.09 H ATOM 81 3HG2 ILE 5 -6.172 -12.653 14.966 1.00 0.09 H ATOM 82 CD1 ILE 5 -8.997 -9.794 13.826 1.00 -0.07 C ATOM 83 1HD1 ILE 5 -8.714 -10.405 12.968 1.00 0.02 H ATOM 84 2HD1 ILE 5 -9.980 -9.360 13.646 1.00 0.02 H ATOM 85 3HD1 ILE 5 -8.272 -8.986 13.948 1.00 0.02 H ATOM 86 N THR 6 -9.355 -10.827 18.561 1.00 -0.42 N ATOM 87 H THR 6 -10.039 -11.513 18.254 1.00 0.27 H ATOM 88 CA THR 6 -9.732 -9.923 19.650 1.00 -0.04 C ATOM 89 HA THR 6 -9.518 -8.899 19.364 1.00 0.10 H ATOM 90 C THR 6 -8.943 -10.208 20.923 1.00 0.60 C ATOM 91 O THR 6 -8.822 -9.340 21.781 1.00 -0.57 O ATOM 92 CB THR 6 -11.229 -10.033 19.980 1.00 0.37 C ATOM 93 HB THR 6 -11.438 -9.475 20.893 1.00 0.00 H ATOM 94 OG1 THR 6 -11.563 -11.410 20.162 1.00 -0.68 O ATOM 95 HG1 THR 6 -11.844 -11.775 19.312 1.00 0.41 H ATOM 96 CG2 THR 6 -12.091 -9.479 18.853 1.00 -0.24 C ATOM 97 1HG2 THR 6 -11.894 -8.414 18.730 1.00 0.06 H ATOM 98 2HG2 THR 6 -11.889 -9.998 17.918 1.00 0.06 H ATOM 99 3HG2 THR 6 -13.141 -9.612 19.115 1.00 0.06 H ATOM 100 N SER 7 -8.298 -11.366 20.995 1.00 -0.42 N ATOM 101 H SER 7 -8.421 -12.058 20.263 1.00 0.27 H ATOM 102 CA SER 7 -7.394 -11.680 22.100 1.00 -0.03 C ATOM 103 HA SER 7 -7.952 -11.601 23.033 1.00 0.08 H ATOM 104 C SER 7 -6.203 -10.727 22.176 1.00 0.60 C ATOM 105 O SER 7 -5.613 -10.573 23.245 1.00 -0.57 O ATOM 106 CB SER 7 -6.877 -13.110 21.955 1.00 0.21 C ATOM 107 1HB SER 7 -6.233 -13.174 21.077 1.00 0.04 H ATOM 108 2HB SER 7 -6.301 -13.378 22.841 1.00 0.04 H ATOM 109 OG SER 7 -7.962 -14.007 21.799 1.00 -0.65 O ATOM 110 HG SER 7 -8.139 -14.113 20.852 1.00 0.43 H ATOM 111 N LEU 8 -5.887 -10.066 21.068 1.00 -0.42 N ATOM 112 H LEU 8 -6.406 -10.263 20.221 1.00 0.27 H ATOM 113 CA LEU 8 -4.852 -9.030 21.019 1.00 -0.05 C ATOM 114 HA LEU 8 -4.375 -8.946 21.994 1.00 0.09 H ATOM 115 C LEU 8 -5.435 -7.661 20.668 1.00 0.60 C ATOM 116 O LEU 8 -5.095 -6.671 21.295 1.00 -0.57 O ATOM 117 CB LEU 8 -3.789 -9.416 19.984 1.00 -0.11 C ATOM 118 1HB LEU 8 -3.408 -10.403 20.245 1.00 0.05 H ATOM 119 2HB LEU 8 -4.278 -9.493 19.013 1.00 0.05 H ATOM 120 CG LEU 8 -2.590 -8.462 19.828 1.00 0.35 C ATOM 121 HG LEU 8 -2.965 -7.484 19.540 1.00 -0.04 H ATOM 122 CD1 LEU 8 -1.774 -8.300 21.111 1.00 -0.41 C ATOM 123 1HD1 LEU 8 -0.913 -7.658 20.917 1.00 0.10 H ATOM 124 2HD1 LEU 8 -2.382 -7.814 21.875 1.00 0.10 H ATOM 125 3HD1 LEU 8 -1.430 -9.269 21.472 1.00 0.10 H ATOM 126 CD2 LEU 8 -1.685 -8.968 18.708 1.00 -0.41 C ATOM 127 1HD2 LEU 8 -2.249 -9.034 17.778 1.00 0.10 H ATOM 128 2HD2 LEU 8 -0.864 -8.266 18.561 1.00 0.10 H ATOM 129 3HD2 LEU 8 -1.278 -9.949 18.960 1.00 0.10 H ATOM 130 N LEU 9 -6.356 -7.623 19.710 1.00 -0.42 N ATOM 131 H LEU 9 -6.635 -8.490 19.265 1.00 0.27 H ATOM 132 CA LEU 9 -6.960 -6.383 19.200 1.00 -0.05 C ATOM 133 HA LEU 9 -6.158 -5.749 18.830 1.00 0.09 H ATOM 134 C LEU 9 -7.735 -5.559 20.235 1.00 0.60 C ATOM 135 O LEU 9 -7.987 -4.379 20.050 1.00 -0.57 O ATOM 136 CB LEU 9 -7.864 -6.744 18.013 1.00 -0.11 C ATOM 137 1HB LEU 9 -7.291 -7.408 17.366 1.00 0.05 H ATOM 138 2HB LEU 9 -8.698 -7.314 18.407 1.00 0.05 H ATOM 139 CG LEU 9 -8.460 -5.646 17.117 1.00 0.35 C ATOM 140 HG LEU 9 -9.091 -5.000 17.723 1.00 -0.04 H ATOM 141 CD1 LEU 9 -7.395 -4.790 16.439 1.00 -0.41 C ATOM 142 1HD1 LEU 9 -6.834 -4.236 17.196 1.00 0.10 H ATOM 143 2HD1 LEU 9 -6.710 -5.409 15.861 1.00 0.10 H ATOM 144 3HD1 LEU 9 -7.869 -4.061 15.782 1.00 0.10 H ATOM 145 CD2 LEU 9 -9.341 -6.310 16.053 1.00 -0.41 C ATOM 146 1HD2 LEU 9 -10.127 -6.890 16.535 1.00 0.10 H ATOM 147 2HD2 LEU 9 -9.807 -5.535 15.442 1.00 0.10 H ATOM 148 3HD2 LEU 9 -8.739 -6.957 15.415 1.00 0.10 H ATOM 149 N LYS 10 -8.026 -6.162 21.379 1.00 -0.35 N ATOM 150 H LYS 10 -7.811 -7.143 21.478 1.00 0.28 H ATOM 151 CA LYS 10 -8.569 -5.444 22.538 1.00 -0.24 C ATOM 152 HA LYS 10 -9.490 -4.938 22.246 1.00 0.14 H ATOM 153 C LYS 10 -7.610 -4.385 23.103 1.00 0.73 C ATOM 154 O LYS 10 -8.008 -3.576 23.936 1.00 -0.59 O ATOM 155 CB LYS 10 -8.867 -6.473 23.639 1.00 -0.01 C ATOM 156 1HB LYS 10 -9.434 -5.994 24.438 1.00 0.04 H ATOM 157 2HB LYS 10 -9.473 -7.269 23.212 1.00 0.04 H ATOM 158 CG LYS 10 -7.586 -7.069 24.234 1.00 0.02 C ATOM 159 1HG LYS 10 -6.904 -7.323 23.425 1.00 0.01 H ATOM 160 2HG LYS 10 -7.111 -6.312 24.857 1.00 0.01 H ATOM 161 CD LYS 10 -7.770 -8.311 25.062 1.00 -0.05 C ATOM 162 1HD LYS 10 -8.505 -8.142 25.850 1.00 0.06 H ATOM 163 2HD LYS 10 -8.097 -9.123 24.411 1.00 0.06 H ATOM 164 CE LYS 10 -6.410 -8.640 25.667 1.00 -0.01 C ATOM 165 1HE LYS 10 -5.642 -8.438 24.915 1.00 0.11 H ATOM 166 2HE LYS 10 -6.230 -7.985 26.522 1.00 0.11 H ATOM 167 NZ LYS 10 -6.295 -10.075 26.073 1.00 -0.38 N ATOM 168 1HZ LYS 10 -7.070 -10.336 26.664 1.00 0.17 H ATOM 169 2HZ LYS 10 -6.292 -10.648 25.234 1.00 0.17 H ATOM 170 3HZ LYS 10 -5.424 -10.222 26.562 1.00 0.17 H ATOM 171 N SER 11 -6.343 -4.459 22.720 1.00 -0.42 N ATOM 172 H SER 11 -6.071 -5.154 22.033 1.00 0.27 H ATOM 173 CA SER 11 -5.272 -3.639 23.275 1.00 -0.03 C ATOM 174 HA SER 11 -5.632 -2.628 23.468 1.00 0.08 H ATOM 175 C SER 11 -4.130 -3.581 22.260 1.00 0.60 C ATOM 176 O SER 11 -2.995 -3.954 22.575 1.00 -0.57 O ATOM 177 CB SER 11 -4.786 -4.274 24.583 1.00 0.21 C ATOM 178 1HB SER 11 -3.938 -3.708 24.970 1.00 0.04 H ATOM 179 2HB SER 11 -5.596 -4.240 25.311 1.00 0.04 H ATOM 180 OG SER 11 -4.411 -5.629 24.377 1.00 -0.65 O ATOM 181 HG SER 11 -3.743 -5.622 23.675 1.00 0.43 H ATOM 182 N LEU 12 -4.449 -3.183 21.036 1.00 -0.42 N ATOM 183 H LEU 12 -5.384 -2.853 20.824 1.00 0.27 H ATOM 184 CA LEU 12 -3.496 -3.119 19.931 1.00 -0.05 C ATOM 185 HA LEU 12 -2.473 -3.138 20.300 1.00 0.09 H ATOM 186 C LEU 12 -3.764 -1.788 19.249 1.00 0.60 C ATOM 187 O LEU 12 -2.834 -1.140 18.733 1.00 -0.57 O ATOM 188 OXT LEU 12 -4.958 -1.419 19.280 1.00 -0.57 O ATOM 189 CB LEU 12 -3.749 -4.281 18.964 1.00 -0.11 C ATOM 190 1HB LEU 12 -3.725 -5.203 19.538 1.00 0.05 H ATOM 191 2HB LEU 12 -4.755 -4.148 18.572 1.00 0.05 H ATOM 192 CG LEU 12 -2.808 -4.441 17.765 1.00 0.35 C ATOM 193 HG LEU 12 -2.816 -3.522 17.181 1.00 -0.04 H ATOM 194 CD1 LEU 12 -1.375 -4.731 18.200 1.00 -0.41 C ATOM 195 1HD1 LEU 12 -0.751 -4.911 17.327 1.00 0.10 H ATOM 196 2HD1 LEU 12 -0.984 -3.861 18.730 1.00 0.10 H ATOM 197 3HD1 LEU 12 -1.349 -5.595 18.863 1.00 0.10 H ATOM 198 CD2 LEU 12 -3.321 -5.573 16.878 1.00 -0.41 C ATOM 199 1HD2 LEU 12 -4.323 -5.327 16.531 1.00 0.10 H ATOM 200 2HD2 LEU 12 -2.668 -5.679 16.013 1.00 0.10 H ATOM 201 3HD2 LEU 12 -3.346 -6.506 17.436 1.00 0.10 H TER 202 LEU 12 END
SEQUENCE	ILGIITSLLKSL
HELICITY	91.70	INSTAB. INDEX	11.07	FLEXIBILITY	12.53
a HYD. MOM.	59.27	b HYD. MOM.	23.68	c HYD. MOM	4.00
a MEAN HYD. MOM.	4.94	b MEAN HYD. MOM.	1.97	c MEAN HYD. MOM.	0.33
CHARGE pH5	1.00	CHARGE pH7	1.00	CHARGE pH9	0.80
Δ CHARGE pH5-pH9	0.20	ISOELECTRIC POINT	8.75	BOMAN INDEX	-1.71
ΔG	-3,24	CPP	-0,03	MLP	-2,64
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	Arthropoda	CLASS	Insecta	ORDER	Hymenoptera
FAMILY	Eumenidae	GENUS	Orancistrocerus	SPECIES	Orancistrocerus drewseni
DATE	2009
TITLE PAPER	Novel mastoparan and protonectin analogs isolated from a solitary wasp, Orancistrocerus drewseni drewseni