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ID	193	NAME	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\ILGTILGLLKGL.pdb REMARK YASARA Written on: Wed May 14 15:48:01 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 193 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 12 ILE LEU GLY THR ILE LEU GLY LEU LEU LYS GLY LEU ATOM 1 N ILE 1 -8.446 -4.320 24.158 1.00 -0.42 N ATOM 2 1H ILE 1 -8.480 -5.331 24.118 1.00 -0.42 H ATOM 3 2H ILE 1 -8.715 -4.009 25.081 1.00 -0.42 H ATOM 4 3H ILE 1 -9.090 -3.948 23.474 1.00 0.27 H ATOM 5 CA ILE 1 -7.059 -3.853 23.846 1.00 -0.06 C ATOM 6 HA ILE 1 -7.044 -2.763 23.854 1.00 0.09 H ATOM 7 C ILE 1 -6.667 -4.324 22.455 1.00 0.60 C ATOM 8 O ILE 1 -7.443 -5.055 21.857 1.00 -0.57 O ATOM 9 CB ILE 1 -6.043 -4.372 24.912 1.00 0.13 C ATOM 10 HB ILE 1 -5.049 -4.033 24.619 1.00 0.02 H ATOM 11 CG1 ILE 1 -6.025 -5.915 24.965 1.00 -0.04 C ATOM 12 1HG1 ILE 1 -6.949 -6.263 25.426 1.00 0.02 H ATOM 13 2HG1 ILE 1 -5.990 -6.304 23.951 1.00 0.02 H ATOM 14 CG2 ILE 1 -6.354 -3.760 26.304 1.00 -0.32 C ATOM 15 1HG2 ILE 1 -6.433 -2.672 26.240 1.00 0.09 H ATOM 16 2HG2 ILE 1 -7.274 -4.168 26.727 1.00 0.09 H ATOM 17 3HG2 ILE 1 -5.537 -3.985 26.996 1.00 0.09 H ATOM 18 CD1 ILE 1 -4.849 -6.529 25.729 1.00 -0.07 C ATOM 19 1HD1 ILE 1 -4.900 -6.262 26.786 1.00 0.02 H ATOM 20 2HD1 ILE 1 -4.891 -7.616 25.646 1.00 0.02 H ATOM 21 3HD1 ILE 1 -3.902 -6.179 25.314 1.00 0.02 H ATOM 22 N LEU 2 -5.502 -3.960 21.929 1.00 -0.42 N ATOM 23 H LEU 2 -4.861 -3.366 22.437 1.00 0.27 H ATOM 24 CA LEU 2 -5.125 -4.387 20.575 1.00 -0.05 C ATOM 25 HA LEU 2 -5.917 -4.095 19.886 1.00 0.09 H ATOM 26 C LEU 2 -4.962 -5.901 20.446 1.00 0.60 C ATOM 27 O LEU 2 -5.308 -6.479 19.427 1.00 -0.57 O ATOM 28 CB LEU 2 -3.824 -3.706 20.134 1.00 -0.11 C ATOM 29 1HB LEU 2 -3.042 -3.983 20.841 1.00 0.05 H ATOM 30 2HB LEU 2 -3.548 -4.119 19.162 1.00 0.05 H ATOM 31 CG LEU 2 -3.827 -2.173 20.000 1.00 0.35 C ATOM 32 HG LEU 2 -4.143 -1.744 20.950 1.00 -0.04 H ATOM 33 CD1 LEU 2 -2.416 -1.683 19.703 1.00 -0.41 C ATOM 34 1HD1 LEU 2 -2.407 -0.593 19.648 1.00 0.10 H ATOM 35 2HD1 LEU 2 -1.733 -1.992 20.495 1.00 0.10 H ATOM 36 3HD1 LEU 2 -2.064 -2.086 18.751 1.00 0.10 H ATOM 37 CD2 LEU 2 -4.780 -1.684 18.909 1.00 -0.41 C ATOM 38 1HD2 LEU 2 -5.808 -1.949 19.150 1.00 0.10 H ATOM 39 2HD2 LEU 2 -4.718 -0.597 18.825 1.00 0.10 H ATOM 40 3HD2 LEU 2 -4.512 -2.125 17.946 1.00 0.10 H ATOM 41 N GLY 3 -4.526 -6.566 21.507 1.00 -0.42 N ATOM 42 H GLY 3 -4.233 -6.072 22.332 1.00 0.27 H ATOM 43 CA GLY 3 -4.452 -8.020 21.484 1.00 -0.03 C ATOM 44 1HA GLY 3 -3.809 -8.328 20.659 1.00 0.07 H ATOM 45 2HA GLY 3 -4.014 -8.373 22.417 1.00 0.07 H ATOM 46 C GLY 3 -5.805 -8.686 21.297 1.00 0.60 C ATOM 47 O GLY 3 -5.903 -9.750 20.699 1.00 -0.57 O ATOM 48 N THR 4 -6.872 -8.038 21.747 1.00 -0.42 N ATOM 49 H THR 4 -6.772 -7.144 22.196 1.00 0.27 H ATOM 50 CA THR 4 -8.215 -8.586 21.593 1.00 -0.04 C ATOM 51 HA THR 4 -8.225 -9.604 21.986 1.00 0.10 H ATOM 52 C THR 4 -8.610 -8.621 20.120 1.00 0.60 C ATOM 53 O THR 4 -9.092 -9.634 19.628 1.00 -0.57 O ATOM 54 CB THR 4 -9.244 -7.725 22.357 1.00 0.37 C ATOM 55 HB THR 4 -9.392 -6.786 21.823 1.00 0.00 H ATOM 56 OG1 THR 4 -8.730 -7.423 23.660 1.00 -0.68 O ATOM 57 HG1 THR 4 -8.802 -8.227 24.188 1.00 0.41 H ATOM 58 CG2 THR 4 -10.577 -8.422 22.530 1.00 -0.24 C ATOM 59 1HG2 THR 4 -10.443 -9.376 23.043 1.00 0.06 H ATOM 60 2HG2 THR 4 -11.248 -7.792 23.114 1.00 0.06 H ATOM 61 3HG2 THR 4 -11.031 -8.607 21.554 1.00 0.06 H ATOM 62 N ILE 5 -8.379 -7.532 19.397 1.00 -0.42 N ATOM 63 H ILE 5 -7.964 -6.714 19.816 1.00 0.27 H ATOM 64 CA ILE 5 -8.748 -7.496 17.981 1.00 -0.06 C ATOM 65 HA ILE 5 -9.722 -7.975 17.886 1.00 0.09 H ATOM 66 C ILE 5 -7.776 -8.331 17.149 1.00 0.60 C ATOM 67 O ILE 5 -8.159 -8.895 16.136 1.00 -0.57 O ATOM 68 CB ILE 5 -8.920 -6.046 17.436 1.00 0.13 C ATOM 69 HB ILE 5 -9.268 -6.119 16.404 1.00 0.02 H ATOM 70 CG1 ILE 5 -7.596 -5.258 17.446 1.00 -0.04 C ATOM 71 1HG1 ILE 5 -7.311 -5.079 18.480 1.00 0.02 H ATOM 72 2HG1 ILE 5 -6.823 -5.864 16.978 1.00 0.02 H ATOM 73 CG2 ILE 5 -10.012 -5.313 18.264 1.00 -0.32 C ATOM 74 1HG2 ILE 5 -10.914 -5.927 18.310 1.00 0.09 H ATOM 75 2HG2 ILE 5 -9.662 -5.108 19.275 1.00 0.09 H ATOM 76 3HG2 ILE 5 -10.273 -4.372 17.778 1.00 0.09 H ATOM 77 CD1 ILE 5 -7.622 -3.909 16.719 1.00 -0.07 C ATOM 78 1HD1 ILE 5 -7.955 -4.050 15.689 1.00 0.02 H ATOM 79 2HD1 ILE 5 -8.291 -3.215 17.226 1.00 0.02 H ATOM 80 3HD1 ILE 5 -6.616 -3.488 16.708 1.00 0.02 H ATOM 81 N LEU 6 -6.545 -8.492 17.615 1.00 -0.42 N ATOM 82 H LEU 6 -6.250 -7.981 18.440 1.00 0.27 H ATOM 83 CA LEU 6 -5.586 -9.380 16.960 1.00 -0.05 C ATOM 84 HA LEU 6 -5.524 -9.121 15.903 1.00 0.09 H ATOM 85 C LEU 6 -6.060 -10.828 17.072 1.00 0.60 C ATOM 86 O LEU 6 -5.883 -11.622 16.145 1.00 -0.57 O ATOM 87 CB LEU 6 -4.205 -9.188 17.601 1.00 -0.11 C ATOM 88 1HB LEU 6 -3.971 -8.127 17.528 1.00 0.05 H ATOM 89 2HB LEU 6 -4.277 -9.431 18.658 1.00 0.05 H ATOM 90 CG LEU 6 -3.013 -9.968 17.024 1.00 0.35 C ATOM 91 HG LEU 6 -3.210 -10.185 15.975 1.00 -0.04 H ATOM 92 CD1 LEU 6 -1.746 -9.122 17.107 1.00 -0.41 C ATOM 93 1HD1 LEU 6 -1.878 -8.203 16.534 1.00 0.10 H ATOM 94 2HD1 LEU 6 -1.525 -8.867 18.145 1.00 0.10 H ATOM 95 3HD1 LEU 6 -0.903 -9.670 16.686 1.00 0.10 H ATOM 96 CD2 LEU 6 -2.775 -11.290 17.770 1.00 -0.41 C ATOM 97 1HD2 LEU 6 -1.936 -11.823 17.322 1.00 0.10 H ATOM 98 2HD2 LEU 6 -2.542 -11.088 18.818 1.00 0.10 H ATOM 99 3HD2 LEU 6 -3.666 -11.914 17.729 1.00 0.10 H ATOM 100 N GLY 7 -6.680 -11.174 18.191 1.00 -0.42 N ATOM 101 H GLY 7 -6.742 -10.518 18.962 1.00 0.27 H ATOM 102 CA GLY 7 -7.286 -12.487 18.332 1.00 -0.03 C ATOM 103 1HA GLY 7 -6.566 -13.251 18.041 1.00 0.07 H ATOM 104 2HA GLY 7 -7.568 -12.645 19.373 1.00 0.07 H ATOM 105 C GLY 7 -8.524 -12.629 17.468 1.00 0.60 C ATOM 106 O GLY 7 -8.663 -13.617 16.760 1.00 -0.57 O ATOM 107 N LEU 8 -9.389 -11.623 17.483 1.00 -0.42 N ATOM 108 H LEU 8 -9.199 -10.821 18.076 1.00 0.27 H ATOM 109 CA LEU 8 -10.640 -11.625 16.714 1.00 -0.05 C ATOM 110 HA LEU 8 -11.236 -12.487 17.018 1.00 0.09 H ATOM 111 C LEU 8 -10.415 -11.722 15.206 1.00 0.60 C ATOM 112 O LEU 8 -11.168 -12.369 14.496 1.00 -0.57 O ATOM 113 CB LEU 8 -11.417 -10.341 17.029 1.00 -0.11 C ATOM 114 1HB LEU 8 -11.459 -10.233 18.113 1.00 0.05 H ATOM 115 2HB LEU 8 -10.841 -9.507 16.634 1.00 0.05 H ATOM 116 CG LEU 8 -12.850 -10.213 16.488 1.00 0.35 C ATOM 117 HG LEU 8 -12.834 -10.360 15.411 1.00 -0.04 H ATOM 118 CD1 LEU 8 -13.801 -11.234 17.109 1.00 -0.41 C ATOM 119 1HD1 LEU 8 -14.810 -11.079 16.730 1.00 0.10 H ATOM 120 2HD1 LEU 8 -13.495 -12.245 16.827 1.00 0.10 H ATOM 121 3HD1 LEU 8 -13.803 -11.150 18.195 1.00 0.10 H ATOM 122 CD2 LEU 8 -13.371 -8.802 16.765 1.00 -0.41 C ATOM 123 1HD2 LEU 8 -12.718 -8.070 16.289 1.00 0.10 H ATOM 124 2HD2 LEU 8 -14.372 -8.698 16.344 1.00 0.10 H ATOM 125 3HD2 LEU 8 -13.410 -8.616 17.838 1.00 0.10 H ATOM 126 N LEU 9 -9.313 -11.158 14.734 1.00 -0.42 N ATOM 127 H LEU 9 -8.741 -10.607 15.367 1.00 0.27 H ATOM 128 CA LEU 9 -8.885 -11.268 13.336 1.00 -0.05 C ATOM 129 HA LEU 9 -9.646 -10.822 12.696 1.00 0.09 H ATOM 130 C LEU 9 -8.678 -12.717 12.870 1.00 0.60 C ATOM 131 O LEU 9 -8.636 -13.001 11.678 1.00 -0.57 O ATOM 132 CB LEU 9 -7.575 -10.479 13.195 1.00 -0.11 C ATOM 133 1HB LEU 9 -7.762 -9.482 13.591 1.00 0.05 H ATOM 134 2HB LEU 9 -6.846 -10.952 13.847 1.00 0.05 H ATOM 135 CG LEU 9 -6.901 -10.297 11.826 1.00 0.35 C ATOM 136 HG LEU 9 -6.640 -11.276 11.430 1.00 -0.04 H ATOM 137 CD1 LEU 9 -7.800 -9.588 10.816 1.00 -0.41 C ATOM 138 1HD1 LEU 9 -7.263 -9.445 9.878 1.00 0.10 H ATOM 139 2HD1 LEU 9 -8.679 -10.204 10.614 1.00 0.10 H ATOM 140 3HD1 LEU 9 -8.119 -8.619 11.203 1.00 0.10 H ATOM 141 CD2 LEU 9 -5.607 -9.502 12.012 1.00 -0.41 C ATOM 142 1HD2 LEU 9 -5.830 -8.505 12.396 1.00 0.10 H ATOM 143 2HD2 LEU 9 -4.950 -10.019 12.709 1.00 0.10 H ATOM 144 3HD2 LEU 9 -5.097 -9.407 11.052 1.00 0.10 H ATOM 145 N LYS 10 -8.537 -13.635 13.818 1.00 -0.35 N ATOM 146 H LYS 10 -8.584 -13.346 14.792 1.00 0.28 H ATOM 147 CA LYS 10 -8.358 -15.063 13.546 1.00 -0.24 C ATOM 148 HA LYS 10 -8.511 -15.265 12.485 1.00 0.14 H ATOM 149 C LYS 10 -9.387 -15.868 14.341 1.00 0.73 C ATOM 150 O LYS 10 -9.144 -17.022 14.682 1.00 -0.59 O ATOM 151 CB LYS 10 -6.935 -15.472 13.937 1.00 -0.01 C ATOM 152 1HB LYS 10 -6.798 -15.251 14.996 1.00 0.04 H ATOM 153 2HB LYS 10 -6.823 -16.545 13.786 1.00 0.04 H ATOM 154 CG LYS 10 -5.858 -14.755 13.119 1.00 0.02 C ATOM 155 1HG LYS 10 -6.049 -14.946 12.063 1.00 0.01 H ATOM 156 2HG LYS 10 -5.921 -13.681 13.288 1.00 0.01 H ATOM 157 CD LYS 10 -4.444 -15.233 13.447 1.00 -0.05 C ATOM 158 1HD LYS 10 -4.412 -16.320 13.358 1.00 0.06 H ATOM 159 2HD LYS 10 -3.758 -14.810 12.712 1.00 0.06 H ATOM 160 CE LYS 10 -3.968 -14.832 14.848 1.00 -0.01 C ATOM 161 1HE LYS 10 -4.637 -15.266 15.595 1.00 0.11 H ATOM 162 2HE LYS 10 -2.969 -15.242 15.004 1.00 0.11 H ATOM 163 NZ LYS 10 -3.921 -13.342 15.029 1.00 -0.38 N ATOM 164 1HZ LYS 10 -3.406 -12.912 14.275 1.00 0.17 H ATOM 165 2HZ LYS 10 -4.864 -12.959 15.046 1.00 0.17 H ATOM 166 3HZ LYS 10 -3.482 -13.112 15.910 1.00 0.17 H ATOM 167 N GLY 11 -10.496 -15.231 14.684 1.00 -0.42 N ATOM 168 H GLY 11 -10.663 -14.283 14.359 1.00 0.27 H ATOM 169 CA GLY 11 -11.492 -15.828 15.562 1.00 -0.03 C ATOM 170 1HA GLY 11 -11.541 -16.901 15.377 1.00 0.07 H ATOM 171 2HA GLY 11 -11.197 -15.659 16.596 1.00 0.07 H ATOM 172 C GLY 11 -12.872 -15.240 15.353 1.00 0.60 C ATOM 173 O GLY 11 -13.570 -14.941 16.324 1.00 -0.57 O ATOM 174 N LEU 12 -13.240 -15.048 14.094 1.00 -0.42 N ATOM 175 H LEU 12 -12.649 -15.351 13.326 1.00 0.27 H ATOM 176 CA LEU 12 -14.513 -14.470 13.677 1.00 -0.05 C ATOM 177 HA LEU 12 -15.307 -14.720 14.377 1.00 0.09 H ATOM 178 C LEU 12 -14.748 -15.161 12.343 1.00 0.60 C ATOM 179 O LEU 12 -15.891 -15.284 11.863 1.00 -0.57 O ATOM 180 OXT LEU 12 -13.700 -15.609 11.819 1.00 -0.57 O ATOM 181 CB LEU 12 -14.361 -12.952 13.509 1.00 -0.11 C ATOM 182 1HB LEU 12 -14.017 -12.551 14.458 1.00 0.05 H ATOM 183 2HB LEU 12 -13.569 -12.787 12.779 1.00 0.05 H ATOM 184 CG LEU 12 -15.576 -12.130 13.061 1.00 0.35 C ATOM 185 HG LEU 12 -15.895 -12.474 12.079 1.00 -0.04 H ATOM 186 CD1 LEU 12 -16.749 -12.265 14.029 1.00 -0.41 C ATOM 187 1HD1 LEU 12 -17.561 -11.611 13.719 1.00 0.10 H ATOM 188 2HD1 LEU 12 -17.108 -13.295 14.006 1.00 0.10 H ATOM 189 3HD1 LEU 12 -16.433 -12.016 15.041 1.00 0.10 H ATOM 190 CD2 LEU 12 -15.165 -10.664 12.948 1.00 -0.41 C ATOM 191 1HD2 LEU 12 -16.006 -10.078 12.581 1.00 0.10 H ATOM 192 2HD2 LEU 12 -14.849 -10.288 13.920 1.00 0.10 H ATOM 193 3HD2 LEU 12 -14.340 -10.576 12.241 1.00 0.10 H TER 194 LEU 12 END
SEQUENCE	ILGTILGLLKGL
HELICITY	91.70	INSTAB. INDEX	20.04	FLEXIBILITY	15.50
a HYD. MOM.	54.25	b HYD. MOM.	21.64	c HYD. MOM	3.16
a MEAN HYD. MOM.	4.52	b MEAN HYD. MOM.	1.80	c MEAN HYD. MOM.	0.26
CHARGE pH5	1.00	CHARGE pH7	1.00	CHARGE pH9	0.80
Δ CHARGE pH5-pH9	0.20	ISOELECTRIC POINT	8.75	BOMAN INDEX	-2.43
ΔG	-1,99	CPP	-0,12	MLP	0,01
MOLECULAR VOLUME		POLARITY
MIC E. coli	14	MIC P. aeruginosa	0,94	MIC S. typhimurium
MIC S. aureus	7	MIC M. luteus		MIC B. subtilis	2
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Arthropoda	CLASS	Insecta	ORDER	Hymenoptera
FAMILY	Vespidae	GENUS	Agelaia	SPECIES	Agelaia pallipes pallipes
DATE	2004
TITLE PAPER	Structural and biological characterization of two novel peptides from the venom of the neotropical social wasp Agelaia pallipes pallipes