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ID	430	NAME	Hylaseptin-P1   Blast NCBI-PROT
LENGTH	14	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\GILDAIKAIAKAAG.pdb REMARK YASARA Written on: Wed May 14 17:28:12 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 199 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 14 GLY ILE LEU ASP ALA ILE LYS ALA ILE ALA LYS ALA ALA SEQRES 2 14 GLY ATOM 1 N GLY 1 -10.546 -5.397 8.829 1.00 -0.42 N ATOM 2 1H GLY 1 -11.240 -5.237 9.546 1.00 -0.42 H ATOM 3 2H GLY 1 -10.535 -4.615 8.189 1.00 -0.42 H ATOM 4 3H GLY 1 -10.781 -6.242 8.326 1.00 0.27 H ATOM 5 CA GLY 1 -9.209 -5.551 9.458 1.00 -0.03 C ATOM 6 1HA GLY 1 -8.465 -5.725 8.682 1.00 0.07 H ATOM 7 2HA GLY 1 -8.959 -4.639 10.001 1.00 0.07 H ATOM 8 C GLY 1 -9.206 -6.713 10.415 1.00 0.60 C ATOM 9 O GLY 1 -10.272 -7.272 10.620 1.00 -0.57 O ATOM 10 N ILE 2 -8.073 -7.079 11.002 1.00 -0.42 N ATOM 11 H ILE 2 -7.222 -6.561 10.829 1.00 0.27 H ATOM 12 CA ILE 2 -7.955 -8.241 11.900 1.00 -0.06 C ATOM 13 HA ILE 2 -8.563 -9.046 11.484 1.00 0.09 H ATOM 14 C ILE 2 -8.478 -8.014 13.333 1.00 0.60 C ATOM 15 O ILE 2 -7.818 -8.315 14.323 1.00 -0.57 O ATOM 16 CB ILE 2 -6.477 -8.746 11.916 1.00 0.13 C ATOM 17 HB ILE 2 -6.398 -9.554 12.640 1.00 0.02 H ATOM 18 CG1 ILE 2 -5.495 -7.618 12.312 1.00 -0.04 C ATOM 19 1HG1 ILE 2 -5.389 -6.927 11.477 1.00 0.02 H ATOM 20 2HG1 ILE 2 -5.912 -7.065 13.152 1.00 0.02 H ATOM 21 CG2 ILE 2 -6.106 -9.324 10.527 1.00 -0.32 C ATOM 22 1HG2 ILE 2 -6.830 -10.087 10.235 1.00 0.09 H ATOM 23 2HG2 ILE 2 -6.076 -8.543 9.767 1.00 0.09 H ATOM 24 3HG2 ILE 2 -5.125 -9.801 10.576 1.00 0.09 H ATOM 25 CD1 ILE 2 -4.098 -8.095 12.724 1.00 -0.07 C ATOM 26 1HD1 ILE 2 -4.175 -8.803 13.551 1.00 0.02 H ATOM 27 2HD1 ILE 2 -3.595 -8.574 11.883 1.00 0.02 H ATOM 28 3HD1 ILE 2 -3.504 -7.239 13.047 1.00 0.02 H ATOM 29 N LEU 3 -9.687 -7.481 13.439 1.00 -0.42 N ATOM 30 H LEU 3 -10.241 -7.350 12.600 1.00 0.27 H ATOM 31 CA LEU 3 -10.244 -7.066 14.727 1.00 -0.05 C ATOM 32 HA LEU 3 -9.574 -6.330 15.167 1.00 0.09 H ATOM 33 C LEU 3 -10.370 -8.216 15.721 1.00 0.60 C ATOM 34 O LEU 3 -10.033 -8.067 16.886 1.00 -0.57 O ATOM 35 CB LEU 3 -11.618 -6.420 14.513 1.00 -0.11 C ATOM 36 1HB LEU 3 -11.500 -5.605 13.799 1.00 0.05 H ATOM 37 2HB LEU 3 -12.272 -7.168 14.063 1.00 0.05 H ATOM 38 CG LEU 3 -12.339 -5.864 15.755 1.00 0.35 C ATOM 39 HG LEU 3 -12.486 -6.676 16.466 1.00 -0.04 H ATOM 40 CD1 LEU 3 -11.555 -4.752 16.452 1.00 -0.41 C ATOM 41 1HD1 LEU 3 -11.330 -3.945 15.755 1.00 0.10 H ATOM 42 2HD1 LEU 3 -12.142 -4.354 17.282 1.00 0.10 H ATOM 43 3HD1 LEU 3 -10.628 -5.154 16.862 1.00 0.10 H ATOM 44 CD2 LEU 3 -13.712 -5.340 15.346 1.00 -0.41 C ATOM 45 1HD2 LEU 3 -14.248 -4.992 16.231 1.00 0.10 H ATOM 46 2HD2 LEU 3 -13.615 -4.513 14.643 1.00 0.10 H ATOM 47 3HD2 LEU 3 -14.296 -6.141 14.891 1.00 0.10 H ATOM 48 N ASP 4 -10.802 -9.380 15.262 1.00 -0.52 N ATOM 49 H ASP 4 -11.051 -9.487 14.295 1.00 0.29 H ATOM 50 CA ASP 4 -10.951 -10.521 16.166 1.00 0.04 C ATOM 51 HA ASP 4 -11.574 -10.229 17.013 1.00 0.09 H ATOM 52 C ASP 4 -9.612 -11.001 16.713 1.00 0.54 C ATOM 53 O ASP 4 -9.508 -11.399 17.868 1.00 -0.58 O ATOM 54 CB ASP 4 -11.616 -11.694 15.454 1.00 -0.03 C ATOM 55 1HB ASP 4 -12.543 -11.354 14.992 1.00 -0.01 H ATOM 56 2HB ASP 4 -10.948 -12.055 14.671 1.00 -0.01 H ATOM 57 CG ASP 4 -11.915 -12.834 16.405 1.00 0.80 C ATOM 58 OD1 ASP 4 -12.751 -12.650 17.316 1.00 -0.55 O ATOM 59 OD2 ASP 4 -11.297 -13.913 16.289 1.00 -0.55 O ATOM 60 N ALA 5 -8.567 -10.915 15.901 1.00 -0.42 N ATOM 61 H ALA 5 -8.682 -10.527 14.981 1.00 0.27 H ATOM 62 CA ALA 5 -7.248 -11.373 16.320 1.00 0.03 C ATOM 63 HA ALA 5 -7.351 -12.371 16.750 1.00 0.08 H ATOM 64 C ALA 5 -6.674 -10.448 17.395 1.00 0.60 C ATOM 65 O ALA 5 -6.094 -10.911 18.372 1.00 -0.57 O ATOM 66 CB ALA 5 -6.307 -11.447 15.113 1.00 -0.18 C ATOM 67 1HB ALA 5 -5.347 -11.856 15.432 1.00 0.06 H ATOM 68 2HB ALA 5 -6.734 -12.099 14.351 1.00 0.06 H ATOM 69 3HB ALA 5 -6.149 -10.451 14.703 1.00 0.06 H ATOM 70 N ILE 6 -6.848 -9.143 17.243 1.00 -0.42 N ATOM 71 H ILE 6 -7.316 -8.779 16.419 1.00 0.27 H ATOM 72 CA ILE 6 -6.334 -8.219 18.257 1.00 -0.06 C ATOM 73 HA ILE 6 -5.352 -8.582 18.559 1.00 0.09 H ATOM 74 C ILE 6 -7.211 -8.260 19.509 1.00 0.60 C ATOM 75 O ILE 6 -6.753 -7.956 20.603 1.00 -0.57 O ATOM 76 CB ILE 6 -6.122 -6.774 17.716 1.00 0.13 C ATOM 77 HB ILE 6 -5.650 -6.189 18.506 1.00 0.02 H ATOM 78 CG1 ILE 6 -7.452 -6.092 17.347 1.00 -0.04 C ATOM 79 1HG1 ILE 6 -7.868 -6.603 16.484 1.00 0.02 H ATOM 80 2HG1 ILE 6 -8.148 -6.201 18.177 1.00 0.02 H ATOM 81 CG2 ILE 6 -5.156 -6.816 16.502 1.00 -0.32 C ATOM 82 1HG2 ILE 6 -4.858 -5.804 16.227 1.00 0.09 H ATOM 83 2HG2 ILE 6 -4.255 -7.372 16.767 1.00 0.09 H ATOM 84 3HG2 ILE 6 -5.632 -7.295 15.647 1.00 0.09 H ATOM 85 CD1 ILE 6 -7.358 -4.597 17.018 1.00 -0.07 C ATOM 86 1HD1 ILE 6 -6.892 -4.065 17.849 1.00 0.02 H ATOM 87 2HD1 ILE 6 -6.771 -4.443 16.113 1.00 0.02 H ATOM 88 3HD1 ILE 6 -8.360 -4.198 16.862 1.00 0.02 H ATOM 89 N LYS 7 -8.454 -8.710 19.384 1.00 -0.35 N ATOM 90 H LYS 7 -8.836 -8.893 18.459 1.00 0.28 H ATOM 91 CA LYS 7 -9.292 -8.937 20.562 1.00 -0.24 C ATOM 92 HA LYS 7 -9.103 -8.139 21.279 1.00 0.14 H ATOM 93 C LYS 7 -8.973 -10.259 21.242 1.00 0.73 C ATOM 94 O LYS 7 -9.292 -10.426 22.413 1.00 -0.59 O ATOM 95 CB LYS 7 -10.777 -8.925 20.182 1.00 -0.01 C ATOM 96 1HB LYS 7 -10.854 -8.811 19.105 1.00 0.04 H ATOM 97 2HB LYS 7 -11.216 -9.890 20.433 1.00 0.04 H ATOM 98 CG LYS 7 -11.595 -7.800 20.837 1.00 0.02 C ATOM 99 1HG LYS 7 -11.116 -6.849 20.601 1.00 0.01 H ATOM 100 2HG LYS 7 -12.589 -7.796 20.389 1.00 0.01 H ATOM 101 CD LYS 7 -11.757 -7.899 22.368 1.00 -0.05 C ATOM 102 1HD LYS 7 -10.776 -7.956 22.841 1.00 0.06 H ATOM 103 2HD LYS 7 -12.259 -6.998 22.719 1.00 0.06 H ATOM 104 CE LYS 7 -12.586 -9.110 22.779 1.00 -0.01 C ATOM 105 1HE LYS 7 -13.543 -9.081 22.251 1.00 0.11 H ATOM 106 2HE LYS 7 -12.062 -10.012 22.467 1.00 0.11 H ATOM 107 NZ LYS 7 -12.863 -9.220 24.244 1.00 -0.38 N ATOM 108 1HZ LYS 7 -13.428 -10.052 24.408 1.00 0.17 H ATOM 109 2HZ LYS 7 -12.001 -9.322 24.768 1.00 0.17 H ATOM 110 3HZ LYS 7 -13.387 -8.423 24.579 1.00 0.17 H ATOM 111 N ALA 8 -8.364 -11.197 20.530 1.00 -0.42 N ATOM 112 H ALA 8 -8.081 -10.989 19.579 1.00 0.27 H ATOM 113 CA ALA 8 -8.159 -12.560 21.024 1.00 0.03 C ATOM 114 HA ALA 8 -9.132 -12.964 21.285 1.00 0.08 H ATOM 115 C ALA 8 -7.308 -12.640 22.283 1.00 0.60 C ATOM 116 O ALA 8 -7.570 -13.465 23.153 1.00 -0.57 O ATOM 117 CB ALA 8 -7.562 -13.440 19.919 1.00 -0.18 C ATOM 118 1HB ALA 8 -7.502 -14.471 20.268 1.00 0.06 H ATOM 119 2HB ALA 8 -8.190 -13.398 19.029 1.00 0.06 H ATOM 120 3HB ALA 8 -6.558 -13.094 19.668 1.00 0.06 H ATOM 121 N ILE 9 -6.350 -11.735 22.413 1.00 -0.42 N ATOM 122 H ILE 9 -6.197 -11.066 21.671 1.00 0.27 H ATOM 123 CA ILE 9 -5.492 -11.672 23.599 1.00 -0.06 C ATOM 124 HA ILE 9 -5.083 -12.667 23.776 1.00 0.09 H ATOM 125 C ILE 9 -6.271 -11.283 24.861 1.00 0.60 C ATOM 126 O ILE 9 -5.778 -11.420 25.973 1.00 -0.57 O ATOM 127 CB ILE 9 -4.297 -10.701 23.368 1.00 0.13 C ATOM 128 HB ILE 9 -3.643 -10.756 24.239 1.00 0.02 H ATOM 129 CG1 ILE 9 -4.785 -9.245 23.219 1.00 -0.04 C ATOM 130 1HG1 ILE 9 -5.377 -9.172 22.311 1.00 0.02 H ATOM 131 2HG1 ILE 9 -5.427 -8.997 24.062 1.00 0.02 H ATOM 132 CG2 ILE 9 -3.489 -11.158 22.121 1.00 -0.32 C ATOM 133 1HG2 ILE 9 -4.048 -10.973 21.202 1.00 0.09 H ATOM 134 2HG2 ILE 9 -2.547 -10.612 22.072 1.00 0.09 H ATOM 135 3HG2 ILE 9 -3.260 -12.222 22.196 1.00 0.09 H ATOM 136 CD1 ILE 9 -3.684 -8.180 23.156 1.00 -0.07 C ATOM 137 1HD1 ILE 9 -3.041 -8.258 24.034 1.00 0.02 H ATOM 138 2HD1 ILE 9 -3.088 -8.305 22.252 1.00 0.02 H ATOM 139 3HD1 ILE 9 -4.144 -7.192 23.137 1.00 0.02 H ATOM 140 N ALA 10 -7.506 -10.835 24.676 1.00 -0.42 N ATOM 141 H ALA 10 -7.866 -10.747 23.731 1.00 0.27 H ATOM 142 CA ALA 10 -8.404 -10.481 25.764 1.00 0.03 C ATOM 143 HA ALA 10 -8.027 -10.916 26.690 1.00 0.08 H ATOM 144 C ALA 10 -9.803 -11.060 25.505 1.00 0.60 C ATOM 145 O ALA 10 -10.803 -10.451 25.903 1.00 -0.57 O ATOM 146 CB ALA 10 -8.448 -8.951 25.910 1.00 -0.18 C ATOM 147 1HB ALA 10 -7.440 -8.574 26.087 1.00 0.06 H ATOM 148 2HB ALA 10 -8.848 -8.502 25.000 1.00 0.06 H ATOM 149 3HB ALA 10 -9.080 -8.680 26.757 1.00 0.06 H ATOM 150 N LYS 11 -9.907 -12.209 24.839 1.00 -0.35 N ATOM 151 H LYS 11 -9.065 -12.676 24.506 1.00 0.28 H ATOM 152 CA LYS 11 -11.218 -12.842 24.599 1.00 -0.24 C ATOM 153 HA LYS 11 -11.940 -12.038 24.506 1.00 0.14 H ATOM 154 C LYS 11 -11.704 -13.656 25.804 1.00 0.73 C ATOM 155 O LYS 11 -11.921 -14.862 25.751 1.00 -0.59 O ATOM 156 CB LYS 11 -11.308 -13.625 23.277 1.00 -0.01 C ATOM 157 1HB LYS 11 -10.324 -13.997 22.995 1.00 0.04 H ATOM 158 2HB LYS 11 -11.974 -14.475 23.409 1.00 0.04 H ATOM 159 CG LYS 11 -11.910 -12.772 22.152 1.00 0.02 C ATOM 160 1HG LYS 11 -12.747 -12.216 22.569 1.00 0.01 H ATOM 161 2HG LYS 11 -11.171 -12.059 21.800 1.00 0.01 H ATOM 162 CD LYS 11 -12.455 -13.559 20.963 1.00 -0.05 C ATOM 163 1HD LYS 11 -13.140 -14.323 21.332 1.00 0.06 H ATOM 164 2HD LYS 11 -13.020 -12.870 20.332 1.00 0.06 H ATOM 165 CE LYS 11 -11.380 -14.214 20.106 1.00 -0.01 C ATOM 166 1HE LYS 11 -10.682 -13.445 19.766 1.00 0.11 H ATOM 167 2HE LYS 11 -10.842 -14.960 20.694 1.00 0.11 H ATOM 168 NZ LYS 11 -12.003 -14.859 18.910 1.00 -0.38 N ATOM 169 1HZ LYS 11 -11.291 -15.246 18.304 1.00 0.17 H ATOM 170 2HZ LYS 11 -12.662 -15.570 19.182 1.00 0.17 H ATOM 171 3HZ LYS 11 -12.482 -14.145 18.357 1.00 0.17 H ATOM 172 N ALA 12 -11.847 -12.940 26.907 1.00 -0.42 N ATOM 173 H ALA 12 -11.592 -11.958 26.862 1.00 0.27 H ATOM 174 CA ALA 12 -12.394 -13.443 28.164 1.00 0.03 C ATOM 175 HA ALA 12 -13.071 -14.275 27.965 1.00 0.08 H ATOM 176 C ALA 12 -13.186 -12.274 28.768 1.00 0.60 C ATOM 177 O ALA 12 -13.343 -12.147 29.979 1.00 -0.57 O ATOM 178 CB ALA 12 -11.257 -13.897 29.093 1.00 -0.18 C ATOM 179 1HB ALA 12 -10.593 -13.060 29.306 1.00 0.06 H ATOM 180 2HB ALA 12 -11.679 -14.266 30.029 1.00 0.06 H ATOM 181 3HB ALA 12 -10.694 -14.700 28.614 1.00 0.06 H ATOM 182 N ALA 13 -13.598 -11.374 27.887 1.00 -0.42 N ATOM 183 H ALA 13 -13.509 -11.581 26.888 1.00 0.27 H ATOM 184 CA ALA 13 -14.197 -10.087 28.241 1.00 0.03 C ATOM 185 HA ALA 13 -14.798 -10.180 29.147 1.00 0.08 H ATOM 186 C ALA 13 -15.093 -9.758 27.045 1.00 0.60 C ATOM 187 O ALA 13 -14.960 -8.712 26.402 1.00 -0.57 O ATOM 188 CB ALA 13 -13.096 -9.029 28.436 1.00 -0.18 C ATOM 189 1HB ALA 13 -12.469 -9.310 29.284 1.00 0.06 H ATOM 190 2HB ALA 13 -12.480 -8.959 27.539 1.00 0.06 H ATOM 191 3HB ALA 13 -13.553 -8.059 28.636 1.00 0.06 H ATOM 192 N GLY 14 -15.832 -10.780 26.636 1.00 -0.42 N ATOM 193 H GLY 14 -15.921 -11.591 27.224 1.00 0.27 H ATOM 194 CA GLY 14 -16.363 -10.850 25.283 1.00 -0.03 C ATOM 195 1HA GLY 14 -17.144 -11.605 25.211 1.00 0.07 H ATOM 196 2HA GLY 14 -16.736 -9.879 24.960 1.00 0.07 H ATOM 197 C GLY 14 -15.187 -11.252 24.427 1.00 0.60 C ATOM 198 O GLY 14 -15.157 -10.972 23.220 1.00 -0.57 O ATOM 199 OXT GLY 14 -14.202 -11.742 25.023 1.00 -0.57 O TER 200 GLY 14 END
SEQUENCE	GILDAIKAIAKAAG
HELICITY	78.60	INSTAB. INDEX	10.91	FLEXIBILITY	15.12
a HYD. MOM.	48.48	b HYD. MOM.	24.31	c HYD. MOM	4.72
a MEAN HYD. MOM.	3.46	b MEAN HYD. MOM.	1.74	c MEAN HYD. MOM.	0.34
CHARGE pH5	1.07	CHARGE pH7	1.00	CHARGE pH9	0.77
Δ CHARGE pH5-pH9	0.30	ISOELECTRIC POINT	8.59	BOMAN INDEX	-0.77
ΔG	9	CPP	-0,18	MLP	-5,97
MOLECULAR VOLUME		POLARITY
MIC E. coli	24	MIC P. aeruginosa	49	MIC S. typhimurium
MIC S. aureus	6	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	Hyla	SPECIES	Hyla punctata
DATE	2004
TITLE PAPER	The NMR-derived solution structure of a new cationic antimicrobial peptide from the skin secretion of the Anuran Hyla punctata.