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ID	374	NAME	Temporin-CDYb   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\ILPILAPLIGGLL.pdb REMARK YASARA Written on: Wed May 14 16:25:43 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 207 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 13 ILE LEU PRO ILE LEU ALA PRO LEU ILE GLY GLY LEU LEU ATOM 1 N ILE 1 -13.037 -13.677 16.858 1.00 -0.42 N ATOM 2 1H ILE 1 -13.170 -14.537 16.346 1.00 -0.42 H ATOM 3 2H ILE 1 -12.645 -12.978 16.243 1.00 -0.42 H ATOM 4 3H ILE 1 -12.388 -13.839 17.618 1.00 0.27 H ATOM 5 CA ILE 1 -14.346 -13.192 17.388 1.00 -0.06 C ATOM 6 HA ILE 1 -14.996 -12.999 16.535 1.00 0.09 H ATOM 7 C ILE 1 -14.160 -11.844 18.085 1.00 0.60 C ATOM 8 O ILE 1 -13.826 -10.888 17.404 1.00 -0.57 O ATOM 9 CB ILE 1 -15.046 -14.286 18.263 1.00 0.13 C ATOM 10 HB ILE 1 -15.852 -13.810 18.824 1.00 0.02 H ATOM 11 CG1 ILE 1 -14.067 -14.947 19.258 1.00 -0.04 C ATOM 12 1HG1 ILE 1 -13.419 -15.634 18.714 1.00 0.02 H ATOM 13 2HG1 ILE 1 -13.437 -14.178 19.701 1.00 0.02 H ATOM 14 CG2 ILE 1 -15.686 -15.366 17.353 1.00 -0.32 C ATOM 15 1HG2 ILE 1 -16.360 -14.902 16.628 1.00 0.09 H ATOM 16 2HG2 ILE 1 -14.926 -15.942 16.821 1.00 0.09 H ATOM 17 3HG2 ILE 1 -16.281 -16.056 17.956 1.00 0.09 H ATOM 18 CD1 ILE 1 -14.729 -15.713 20.408 1.00 -0.07 C ATOM 19 1HD1 ILE 1 -15.409 -15.059 20.956 1.00 0.02 H ATOM 20 2HD1 ILE 1 -15.282 -16.572 20.024 1.00 0.02 H ATOM 21 3HD1 ILE 1 -13.959 -16.073 21.092 1.00 0.02 H ATOM 22 N LEU 2 -14.298 -11.755 19.404 1.00 -0.42 N ATOM 23 H LEU 2 -14.584 -12.562 19.934 1.00 0.27 H ATOM 24 CA LEU 2 -13.945 -10.554 20.163 1.00 -0.05 C ATOM 25 HA LEU 2 -14.483 -9.683 19.785 1.00 0.09 H ATOM 26 C LEU 2 -12.439 -10.355 19.979 1.00 0.60 C ATOM 27 O LEU 2 -11.753 -11.337 19.676 1.00 -0.57 O ATOM 28 CB LEU 2 -14.267 -10.798 21.644 1.00 -0.11 C ATOM 29 1HB LEU 2 -13.715 -11.685 21.954 1.00 0.05 H ATOM 30 2HB LEU 2 -13.886 -9.957 22.222 1.00 0.05 H ATOM 31 CG LEU 2 -15.736 -11.005 22.041 1.00 0.35 C ATOM 32 HG LEU 2 -16.147 -11.822 21.448 1.00 -0.04 H ATOM 33 CD1 LEU 2 -15.808 -11.402 23.511 1.00 -0.41 C ATOM 34 1HD1 LEU 2 -16.847 -11.586 23.792 1.00 0.10 H ATOM 35 2HD1 LEU 2 -15.239 -12.317 23.684 1.00 0.10 H ATOM 36 3HD1 LEU 2 -15.409 -10.606 24.143 1.00 0.10 H ATOM 37 CD2 LEU 2 -16.580 -9.757 21.800 1.00 -0.41 C ATOM 38 1HD2 LEU 2 -17.606 -9.937 22.129 1.00 0.10 H ATOM 39 2HD2 LEU 2 -16.177 -8.909 22.357 1.00 0.10 H ATOM 40 3HD2 LEU 2 -16.603 -9.513 20.738 1.00 0.10 H ATOM 41 N PRO 3 -11.895 -9.139 20.189 1.00 -0.25 N ATOM 42 CA PRO 3 -10.465 -8.969 19.885 1.00 -0.03 C ATOM 43 HA PRO 3 -10.293 -9.202 18.838 1.00 0.06 H ATOM 44 C PRO 3 -9.476 -9.793 20.705 1.00 0.59 C ATOM 45 O PRO 3 -8.367 -10.052 20.253 1.00 -0.57 O ATOM 46 CB PRO 3 -10.244 -7.471 20.102 1.00 -0.01 C ATOM 47 1HB PRO 3 -9.236 -7.276 20.468 1.00 0.03 H ATOM 48 2HB PRO 3 -10.423 -6.926 19.178 1.00 0.03 H ATOM 49 CG PRO 3 -11.261 -7.090 21.094 1.00 0.02 C ATOM 50 1HG PRO 3 -10.954 -7.408 22.091 1.00 0.02 H ATOM 51 2HG PRO 3 -11.444 -6.015 21.071 1.00 0.02 H ATOM 52 CD PRO 3 -12.476 -7.857 20.634 1.00 0.02 C ATOM 53 1HD PRO 3 -13.172 -7.995 21.461 1.00 0.04 H ATOM 54 2HD PRO 3 -12.959 -7.348 19.798 1.00 0.04 H ATOM 55 N ILE 4 -9.906 -10.316 21.846 1.00 -0.42 N ATOM 56 H ILE 4 -10.818 -10.072 22.191 1.00 0.27 H ATOM 57 CA ILE 4 -9.106 -11.267 22.622 1.00 -0.06 C ATOM 58 HA ILE 4 -8.137 -10.810 22.827 1.00 0.09 H ATOM 59 C ILE 4 -8.821 -12.572 21.863 1.00 0.60 C ATOM 60 O ILE 4 -7.910 -13.311 22.207 1.00 -0.57 O ATOM 61 CB ILE 4 -9.791 -11.571 23.988 1.00 0.13 C ATOM 62 HB ILE 4 -9.136 -12.234 24.554 1.00 0.02 H ATOM 63 CG1 ILE 4 -11.151 -12.277 23.786 1.00 -0.04 C ATOM 64 1HG1 ILE 4 -11.836 -11.583 23.305 1.00 0.02 H ATOM 65 2HG1 ILE 4 -11.011 -13.129 23.124 1.00 0.02 H ATOM 66 CG2 ILE 4 -9.960 -10.251 24.791 1.00 -0.32 C ATOM 67 1HG2 ILE 4 -9.008 -9.716 24.824 1.00 0.09 H ATOM 68 2HG2 ILE 4 -10.716 -9.607 24.344 1.00 0.09 H ATOM 69 3HG2 ILE 4 -10.250 -10.478 25.818 1.00 0.09 H ATOM 70 CD1 ILE 4 -11.821 -12.798 25.063 1.00 -0.07 C ATOM 71 1HD1 ILE 4 -12.099 -11.968 25.713 1.00 0.02 H ATOM 72 2HD1 ILE 4 -12.721 -13.353 24.797 1.00 0.02 H ATOM 73 3HD1 ILE 4 -11.138 -13.463 25.594 1.00 0.02 H ATOM 74 N LEU 5 -9.573 -12.828 20.799 1.00 -0.42 N ATOM 75 H LEU 5 -10.325 -12.189 20.562 1.00 0.27 H ATOM 76 CA LEU 5 -9.353 -13.971 19.918 1.00 -0.05 C ATOM 77 HA LEU 5 -8.315 -14.288 20.023 1.00 0.09 H ATOM 78 C LEU 5 -9.557 -13.471 18.484 1.00 0.60 C ATOM 79 O LEU 5 -10.191 -14.110 17.638 1.00 -0.57 O ATOM 80 CB LEU 5 -10.274 -15.134 20.309 1.00 -0.11 C ATOM 81 1HB LEU 5 -10.263 -15.202 21.397 1.00 0.05 H ATOM 82 2HB LEU 5 -11.284 -14.873 20.011 1.00 0.05 H ATOM 83 CG LEU 5 -9.955 -16.540 19.766 1.00 0.35 C ATOM 84 HG LEU 5 -9.968 -16.509 18.679 1.00 -0.04 H ATOM 85 CD1 LEU 5 -8.583 -17.046 20.217 1.00 -0.41 C ATOM 86 1HD1 LEU 5 -7.796 -16.421 19.799 1.00 0.10 H ATOM 87 2HD1 LEU 5 -8.511 -17.029 21.306 1.00 0.10 H ATOM 88 3HD1 LEU 5 -8.429 -18.067 19.865 1.00 0.10 H ATOM 89 CD2 LEU 5 -11.027 -17.528 20.226 1.00 -0.41 C ATOM 90 1HD2 LEU 5 -12.002 -17.219 19.857 1.00 0.10 H ATOM 91 2HD2 LEU 5 -10.806 -18.519 19.827 1.00 0.10 H ATOM 92 3HD2 LEU 5 -11.050 -17.581 21.316 1.00 0.10 H ATOM 93 N ALA 6 -9.073 -12.253 18.269 1.00 -0.42 N ATOM 94 H ALA 6 -8.679 -11.752 19.063 1.00 0.27 H ATOM 95 CA ALA 6 -8.991 -11.583 16.966 1.00 0.03 C ATOM 96 HA ALA 6 -8.522 -12.255 16.246 1.00 0.08 H ATOM 97 C ALA 6 -8.106 -10.337 17.146 1.00 0.60 C ATOM 98 O ALA 6 -8.603 -9.212 17.091 1.00 -0.57 O ATOM 99 CB ALA 6 -10.386 -11.178 16.443 1.00 -0.18 C ATOM 100 1HB ALA 6 -10.920 -10.600 17.197 1.00 0.06 H ATOM 101 2HB ALA 6 -10.281 -10.575 15.541 1.00 0.06 H ATOM 102 3HB ALA 6 -10.953 -12.068 16.197 1.00 0.06 H ATOM 103 N PRO 7 -6.796 -10.508 17.397 1.00 -0.25 N ATOM 104 CA PRO 7 -6.084 -9.290 17.814 1.00 -0.03 C ATOM 105 HA PRO 7 -6.605 -8.831 18.656 1.00 0.06 H ATOM 106 C PRO 7 -5.927 -8.227 16.727 1.00 0.59 C ATOM 107 O PRO 7 -5.773 -7.049 17.024 1.00 -0.57 O ATOM 108 CB PRO 7 -4.743 -9.840 18.304 1.00 -0.01 C ATOM 109 1HB PRO 7 -3.944 -9.120 18.161 1.00 0.03 H ATOM 110 2HB PRO 7 -4.814 -10.119 19.355 1.00 0.03 H ATOM 111 CG PRO 7 -4.529 -11.051 17.483 1.00 0.02 C ATOM 112 1HG PRO 7 -4.196 -10.774 16.482 1.00 0.02 H ATOM 113 2HG PRO 7 -3.808 -11.719 17.955 1.00 0.02 H ATOM 114 CD PRO 7 -5.901 -11.680 17.440 1.00 0.02 C ATOM 115 1HD PRO 7 -6.014 -12.298 16.548 1.00 0.04 H ATOM 116 2HD PRO 7 -6.084 -12.263 18.345 1.00 0.04 H ATOM 117 N LEU 8 -6.081 -8.600 15.466 1.00 -0.42 N ATOM 118 H LEU 8 -6.230 -9.571 15.251 1.00 0.27 H ATOM 119 CA LEU 8 -6.056 -7.640 14.362 1.00 -0.05 C ATOM 120 HA LEU 8 -5.116 -7.092 14.439 1.00 0.09 H ATOM 121 C LEU 8 -7.176 -6.587 14.362 1.00 0.60 C ATOM 122 O LEU 8 -7.135 -5.670 13.551 1.00 -0.57 O ATOM 123 CB LEU 8 -6.050 -8.386 13.020 1.00 -0.11 C ATOM 124 1HB LEU 8 -5.656 -7.688 12.281 1.00 0.05 H ATOM 125 2HB LEU 8 -5.331 -9.201 13.100 1.00 0.05 H ATOM 126 CG LEU 8 -7.355 -8.959 12.431 1.00 0.35 C ATOM 127 HG LEU 8 -8.067 -8.145 12.316 1.00 -0.04 H ATOM 128 CD1 LEU 8 -7.062 -9.521 11.041 1.00 -0.41 C ATOM 129 1HD1 LEU 8 -6.650 -8.735 10.406 1.00 0.10 H ATOM 130 2HD1 LEU 8 -6.350 -10.345 11.103 1.00 0.10 H ATOM 131 3HD1 LEU 8 -7.987 -9.877 10.585 1.00 0.10 H ATOM 132 CD2 LEU 8 -8.020 -10.053 13.280 1.00 -0.41 C ATOM 133 1HD2 LEU 8 -8.900 -10.431 12.757 1.00 0.10 H ATOM 134 2HD2 LEU 8 -7.324 -10.874 13.450 1.00 0.10 H ATOM 135 3HD2 LEU 8 -8.347 -9.629 14.228 1.00 0.10 H ATOM 136 N ILE 9 -8.153 -6.702 15.257 1.00 -0.42 N ATOM 137 H ILE 9 -8.180 -7.509 15.867 1.00 0.27 H ATOM 138 CA ILE 9 -9.196 -5.680 15.418 1.00 -0.06 C ATOM 139 HA ILE 9 -8.988 -4.865 14.725 1.00 0.09 H ATOM 140 C ILE 9 -9.182 -5.057 16.821 1.00 0.60 C ATOM 141 O ILE 9 -10.103 -4.338 17.193 1.00 -0.57 O ATOM 142 CB ILE 9 -10.620 -6.220 15.063 1.00 0.13 C ATOM 143 HB ILE 9 -11.326 -5.395 15.167 1.00 0.02 H ATOM 144 CG1 ILE 9 -11.052 -7.351 16.014 1.00 -0.04 C ATOM 145 1HG1 ILE 9 -10.495 -8.245 15.752 1.00 0.02 H ATOM 146 2HG1 ILE 9 -10.791 -7.073 17.030 1.00 0.02 H ATOM 147 CG2 ILE 9 -10.661 -6.698 13.589 1.00 -0.32 C ATOM 148 1HG2 ILE 9 -10.253 -5.920 12.940 1.00 0.09 H ATOM 149 2HG2 ILE 9 -10.073 -7.605 13.463 1.00 0.09 H ATOM 150 3HG2 ILE 9 -11.690 -6.891 13.289 1.00 0.09 H ATOM 151 CD1 ILE 9 -12.543 -7.695 15.999 1.00 -0.07 C ATOM 152 1HD1 ILE 9 -12.743 -8.456 16.753 1.00 0.02 H ATOM 153 2HD1 ILE 9 -13.129 -6.804 16.230 1.00 0.02 H ATOM 154 3HD1 ILE 9 -12.833 -8.079 15.021 1.00 0.02 H ATOM 155 N GLY 10 -8.142 -5.311 17.608 1.00 -0.42 N ATOM 156 H GLY 10 -7.385 -5.895 17.274 1.00 0.27 H ATOM 157 CA GLY 10 -8.079 -4.711 18.938 1.00 -0.03 C ATOM 158 1HA GLY 10 -7.862 -3.651 18.807 1.00 0.07 H ATOM 159 2HA GLY 10 -9.069 -4.779 19.388 1.00 0.07 H ATOM 160 C GLY 10 -7.091 -5.245 19.960 1.00 0.60 C ATOM 161 O GLY 10 -7.345 -5.170 21.157 1.00 -0.57 O ATOM 162 N GLY 11 -5.983 -5.810 19.509 1.00 -0.42 N ATOM 163 H GLY 11 -5.835 -5.911 18.510 1.00 0.27 H ATOM 164 CA GLY 11 -4.956 -6.330 20.401 1.00 -0.03 C ATOM 165 1HA GLY 11 -4.815 -5.639 21.233 1.00 0.07 H ATOM 166 2HA GLY 11 -5.264 -7.301 20.788 1.00 0.07 H ATOM 167 C GLY 11 -3.642 -6.487 19.661 1.00 0.60 C ATOM 168 O GLY 11 -2.848 -7.377 19.951 1.00 -0.57 O ATOM 169 N LEU 12 -3.462 -5.657 18.643 1.00 -0.42 N ATOM 170 H LEU 12 -4.153 -4.945 18.460 1.00 0.27 H ATOM 171 CA LEU 12 -2.300 -5.694 17.749 1.00 -0.05 C ATOM 172 HA LEU 12 -1.407 -5.969 18.309 1.00 0.09 H ATOM 173 C LEU 12 -2.160 -4.281 17.188 1.00 0.60 C ATOM 174 O LEU 12 -1.611 -4.057 16.111 1.00 -0.57 O ATOM 175 CB LEU 12 -2.561 -6.691 16.610 1.00 -0.11 C ATOM 176 1HB LEU 12 -3.067 -7.543 17.047 1.00 0.05 H ATOM 177 2HB LEU 12 -3.265 -6.218 15.925 1.00 0.05 H ATOM 178 CG LEU 12 -1.402 -7.257 15.775 1.00 0.35 C ATOM 179 HG LEU 12 -0.847 -6.437 15.325 1.00 -0.04 H ATOM 180 CD1 LEU 12 -0.438 -8.091 16.622 1.00 -0.41 C ATOM 181 1HD1 LEU 12 0.342 -8.511 15.988 1.00 0.10 H ATOM 182 2HD1 LEU 12 0.034 -7.454 17.371 1.00 0.10 H ATOM 183 3HD1 LEU 12 -0.974 -8.895 17.127 1.00 0.10 H ATOM 184 CD2 LEU 12 -1.978 -8.126 14.652 1.00 -0.41 C ATOM 185 1HD2 LEU 12 -2.632 -7.518 14.025 1.00 0.10 H ATOM 186 2HD2 LEU 12 -1.164 -8.506 14.034 1.00 0.10 H ATOM 187 3HD2 LEU 12 -2.539 -8.961 15.067 1.00 0.10 H ATOM 188 N LEU 13 -2.810 -3.361 17.886 1.00 -0.42 N ATOM 189 H LEU 13 -3.024 -3.512 18.868 1.00 0.27 H ATOM 190 CA LEU 13 -3.170 -2.036 17.399 1.00 -0.05 C ATOM 191 HA LEU 13 -2.482 -1.686 16.631 1.00 0.09 H ATOM 192 C LEU 13 -3.021 -1.229 18.676 1.00 0.60 C ATOM 193 O LEU 13 -2.859 0.003 18.663 1.00 -0.57 O ATOM 194 OXT LEU 13 -3.102 -1.935 19.712 1.00 -0.57 O ATOM 195 CB LEU 13 -4.634 -1.991 16.928 1.00 -0.11 C ATOM 196 1HB LEU 13 -5.252 -2.240 17.790 1.00 0.05 H ATOM 197 2HB LEU 13 -4.850 -0.953 16.673 1.00 0.05 H ATOM 198 CG LEU 13 -5.104 -2.867 15.759 1.00 0.35 C ATOM 199 HG LEU 13 -4.941 -3.914 16.017 1.00 -0.04 H ATOM 200 CD1 LEU 13 -6.599 -2.650 15.554 1.00 -0.41 C ATOM 201 1HD1 LEU 13 -6.958 -3.313 14.767 1.00 0.10 H ATOM 202 2HD1 LEU 13 -7.136 -2.869 16.474 1.00 0.10 H ATOM 203 3HD1 LEU 13 -6.791 -1.616 15.267 1.00 0.10 H ATOM 204 CD2 LEU 13 -4.367 -2.567 14.462 1.00 -0.41 C ATOM 205 1HD2 LEU 13 -4.759 -3.195 13.663 1.00 0.10 H ATOM 206 2HD2 LEU 13 -4.482 -1.517 14.198 1.00 0.10 H ATOM 207 3HD2 LEU 13 -3.306 -2.789 14.590 1.00 0.10 H TER 208 LEU 13 END
SEQUENCE	ILPILAPLIGGLL
HELICITY	92.30	INSTAB. INDEX	77.98	FLEXIBILITY	11.78
a HYD. MOM.	45.72	b HYD. MOM.	21.15	c HYD. MOM	2.53
a MEAN HYD. MOM.	3.52	b MEAN HYD. MOM.	1.63	c MEAN HYD. MOM.	0.19
CHARGE pH5	0.00	CHARGE pH7	0.00	CHARGE pH9	-0.17
Δ CHARGE pH5-pH9	0.17	ISOELECTRIC POINT	5.52	BOMAN INDEX	-3.31
ΔG	-6,53	CPP	-0,49	MLP	4
MOLECULAR VOLUME		POLARITY
MIC E. coli	200	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	200	MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Amphibia	ORDER	Anura
FAMILY	Ranidae	GENUS	Rana	SPECIES	Rana dybowskii
DATE	2009
TITLE PAPER	Characterization of antimicrobial peptides isolated from the skin of the Chinese frog, Rana dybowskii.