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ID	334	NAME	Ranatuerin-7   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\FLSAIASMLGKFL.pdb REMARK YASARA Written on: Wed May 14 16:55:05 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 PHE LEU SER ALA ILE ALA SER MET LEU GLY LYS PHE LEU ATOM 1 N PHE 1 -14.525 -11.108 12.060 1.00 -0.42 N ATOM 2 1H PHE 1 -15.262 -10.585 11.608 1.00 -0.42 H ATOM 3 2H PHE 1 -13.992 -10.489 12.655 1.00 -0.42 H ATOM 4 3H PHE 1 -13.917 -11.506 11.358 1.00 0.27 H ATOM 5 CA PHE 1 -15.120 -12.197 12.883 1.00 -0.00 C ATOM 6 HA PHE 1 -15.773 -11.713 13.611 1.00 0.10 H ATOM 7 C PHE 1 -14.039 -12.889 13.714 1.00 0.60 C ATOM 8 O PHE 1 -13.820 -12.444 14.829 1.00 -0.57 O ATOM 9 CB PHE 1 -16.030 -13.131 12.055 1.00 -0.03 C ATOM 10 1HB PHE 1 -16.497 -13.849 12.728 1.00 0.03 H ATOM 11 2HB PHE 1 -16.820 -12.524 11.611 1.00 0.03 H ATOM 12 CG PHE 1 -15.340 -13.887 10.939 1.00 0.01 C ATOM 13 CD1 PHE 1 -15.087 -15.267 11.078 1.00 -0.13 C ATOM 14 HD1 PHE 1 -15.394 -15.789 11.976 1.00 0.13 H ATOM 15 CD2 PHE 1 -14.979 -13.248 9.735 1.00 -0.13 C ATOM 16 HD2 PHE 1 -15.215 -12.206 9.576 1.00 0.13 H ATOM 17 CE1 PHE 1 -14.440 -15.995 10.053 1.00 -0.17 C ATOM 18 HE1 PHE 1 -14.253 -17.054 10.171 1.00 0.14 H ATOM 19 CE2 PHE 1 -14.323 -13.964 8.704 1.00 -0.17 C ATOM 20 HE2 PHE 1 -14.043 -13.464 7.786 1.00 0.14 H ATOM 21 CZ PHE 1 -14.051 -15.339 8.865 1.00 -0.11 C ATOM 22 HZ PHE 1 -13.559 -15.892 8.076 1.00 0.13 H ATOM 23 N LEU 2 -13.314 -13.889 13.220 1.00 -0.42 N ATOM 24 H LEU 2 -13.470 -14.228 12.278 1.00 0.27 H ATOM 25 CA LEU 2 -12.316 -14.604 14.030 1.00 -0.05 C ATOM 26 HA LEU 2 -12.832 -14.996 14.908 1.00 0.09 H ATOM 27 C LEU 2 -11.170 -13.734 14.548 1.00 0.60 C ATOM 28 O LEU 2 -10.577 -14.017 15.577 1.00 -0.57 O ATOM 29 CB LEU 2 -11.748 -15.805 13.256 1.00 -0.11 C ATOM 30 1HB LEU 2 -11.394 -16.508 14.011 1.00 0.05 H ATOM 31 2HB LEU 2 -12.577 -16.291 12.742 1.00 0.05 H ATOM 32 CG LEU 2 -10.591 -15.641 12.249 1.00 0.35 C ATOM 33 HG LEU 2 -9.754 -15.169 12.761 1.00 -0.04 H ATOM 34 CD1 LEU 2 -10.140 -17.022 11.789 1.00 -0.41 C ATOM 35 1HD1 LEU 2 -10.947 -17.538 11.266 1.00 0.10 H ATOM 36 2HD1 LEU 2 -9.284 -16.929 11.120 1.00 0.10 H ATOM 37 3HD1 LEU 2 -9.832 -17.620 12.650 1.00 0.10 H ATOM 38 CD2 LEU 2 -10.929 -14.794 11.016 1.00 -0.41 C ATOM 39 1HD2 LEU 2 -11.179 -13.780 11.307 1.00 0.10 H ATOM 40 2HD2 LEU 2 -10.056 -14.752 10.360 1.00 0.10 H ATOM 41 3HD2 LEU 2 -11.754 -15.243 10.466 1.00 0.10 H ATOM 42 N SER 3 -10.939 -12.614 13.877 1.00 -0.42 N ATOM 43 H SER 3 -11.461 -12.423 13.042 1.00 0.27 H ATOM 44 CA SER 3 -9.952 -11.612 14.257 1.00 -0.03 C ATOM 45 HA SER 3 -8.967 -12.080 14.290 1.00 0.08 H ATOM 46 C SER 3 -10.196 -10.936 15.607 1.00 0.60 C ATOM 47 O SER 3 -9.351 -10.189 16.087 1.00 -0.57 O ATOM 48 CB SER 3 -9.961 -10.555 13.158 1.00 0.21 C ATOM 49 1HB SER 3 -10.052 -9.563 13.602 1.00 0.04 H ATOM 50 2HB SER 3 -9.025 -10.613 12.601 1.00 0.04 H ATOM 51 OG SER 3 -11.056 -10.793 12.270 1.00 -0.65 O ATOM 52 HG SER 3 -10.895 -10.259 11.482 1.00 0.43 H ATOM 53 N ALA 4 -11.324 -11.232 16.241 1.00 -0.42 N ATOM 54 H ALA 4 -11.980 -11.870 15.810 1.00 0.27 H ATOM 55 CA ALA 4 -11.653 -10.718 17.566 1.00 0.03 C ATOM 56 HA ALA 4 -11.714 -9.629 17.518 1.00 0.08 H ATOM 57 C ALA 4 -10.590 -11.073 18.614 1.00 0.60 C ATOM 58 O ALA 4 -10.401 -10.330 19.572 1.00 -0.57 O ATOM 59 CB ALA 4 -13.020 -11.269 17.984 1.00 -0.18 C ATOM 60 1HB ALA 4 -12.984 -12.359 18.043 1.00 0.06 H ATOM 61 2HB ALA 4 -13.286 -10.871 18.964 1.00 0.06 H ATOM 62 3HB ALA 4 -13.780 -10.968 17.264 1.00 0.06 H ATOM 63 N ILE 5 -9.846 -12.157 18.423 1.00 -0.42 N ATOM 64 H ILE 5 -10.010 -12.763 17.630 1.00 0.27 H ATOM 65 CA ILE 5 -8.781 -12.487 19.373 1.00 -0.06 C ATOM 66 HA ILE 5 -9.253 -12.494 20.356 1.00 0.09 H ATOM 67 C ILE 5 -7.686 -11.418 19.430 1.00 0.60 C ATOM 68 O ILE 5 -7.037 -11.262 20.453 1.00 -0.57 O ATOM 69 CB ILE 5 -8.159 -13.912 19.180 1.00 0.13 C ATOM 70 HB ILE 5 -7.653 -14.148 20.117 1.00 0.02 H ATOM 71 CG1 ILE 5 -7.063 -13.988 18.088 1.00 -0.04 C ATOM 72 1HG1 ILE 5 -6.273 -13.282 18.341 1.00 0.02 H ATOM 73 2HG1 ILE 5 -6.622 -14.983 18.147 1.00 0.02 H ATOM 74 CG2 ILE 5 -9.274 -14.968 18.989 1.00 -0.32 C ATOM 75 1HG2 ILE 5 -8.834 -15.967 19.007 1.00 0.09 H ATOM 76 2HG2 ILE 5 -9.998 -14.895 19.803 1.00 0.09 H ATOM 77 3HG2 ILE 5 -9.788 -14.834 18.038 1.00 0.09 H ATOM 78 CD1 ILE 5 -7.454 -13.755 16.620 1.00 -0.07 C ATOM 79 1HD1 ILE 5 -6.558 -13.806 16.000 1.00 0.02 H ATOM 80 2HD1 ILE 5 -8.146 -14.530 16.292 1.00 0.02 H ATOM 81 3HD1 ILE 5 -7.910 -12.776 16.496 1.00 0.02 H ATOM 82 N ALA 6 -7.504 -10.633 18.374 1.00 -0.42 N ATOM 83 H ALA 6 -8.074 -10.752 17.545 1.00 0.27 H ATOM 84 CA ALA 6 -6.502 -9.574 18.396 1.00 0.03 C ATOM 85 HA ALA 6 -5.566 -9.978 18.785 1.00 0.08 H ATOM 86 C ALA 6 -6.974 -8.460 19.333 1.00 0.60 C ATOM 87 O ALA 6 -6.181 -7.867 20.059 1.00 -0.57 O ATOM 88 CB ALA 6 -6.267 -9.038 16.980 1.00 -0.18 C ATOM 89 1HB ALA 6 -5.928 -9.847 16.331 1.00 0.06 H ATOM 90 2HB ALA 6 -7.190 -8.615 16.579 1.00 0.06 H ATOM 91 3HB ALA 6 -5.501 -8.261 17.009 1.00 0.06 H ATOM 92 N SER 7 -8.275 -8.211 19.351 1.00 -0.42 N ATOM 93 H SER 7 -8.900 -8.727 18.748 1.00 0.27 H ATOM 94 CA SER 7 -8.848 -7.215 20.250 1.00 -0.03 C ATOM 95 HA SER 7 -8.286 -6.286 20.158 1.00 0.08 H ATOM 96 C SER 7 -8.748 -7.712 21.684 1.00 0.60 C ATOM 97 O SER 7 -8.438 -6.944 22.583 1.00 -0.57 O ATOM 98 CB SER 7 -10.312 -6.963 19.891 1.00 0.21 C ATOM 99 1HB SER 7 -10.890 -7.866 20.089 1.00 0.04 H ATOM 100 2HB SER 7 -10.707 -6.150 20.501 1.00 0.04 H ATOM 101 OG SER 7 -10.421 -6.643 18.513 1.00 -0.65 O ATOM 102 HG SER 7 -10.110 -5.742 18.387 1.00 0.43 H ATOM 103 N MET 8 -8.939 -9.008 21.882 1.00 -0.42 N ATOM 104 H MET 8 -9.207 -9.595 21.099 1.00 0.27 H ATOM 105 CA MET 8 -8.826 -9.613 23.209 1.00 -0.02 C ATOM 106 HA MET 8 -9.468 -9.068 23.898 1.00 0.09 H ATOM 107 C MET 8 -7.392 -9.548 23.738 1.00 0.60 C ATOM 108 O MET 8 -7.145 -9.201 24.888 1.00 -0.57 O ATOM 109 CB MET 8 -9.300 -11.064 23.135 1.00 0.03 C ATOM 110 1HB MET 8 -10.283 -11.086 22.667 1.00 0.02 H ATOM 111 2HB MET 8 -8.609 -11.611 22.500 1.00 0.02 H ATOM 112 CG MET 8 -9.392 -11.774 24.473 1.00 0.00 C ATOM 113 1HG MET 8 -8.435 -11.706 24.990 1.00 0.04 H ATOM 114 2HG MET 8 -10.159 -11.291 25.082 1.00 0.04 H ATOM 115 SD MET 8 -9.810 -13.520 24.238 1.00 -0.27 S ATOM 116 CE MET 8 -8.229 -14.219 23.679 1.00 -0.05 C ATOM 117 1HE MET 8 -7.463 -14.035 24.432 1.00 0.07 H ATOM 118 2HE MET 8 -8.341 -15.293 23.533 1.00 0.07 H ATOM 119 3HE MET 8 -7.931 -13.757 22.738 1.00 0.07 H ATOM 120 N LEU 9 -6.414 -9.809 22.882 1.00 -0.42 N ATOM 121 H LEU 9 -6.641 -10.117 21.940 1.00 0.27 H ATOM 122 CA LEU 9 -5.007 -9.682 23.274 1.00 -0.05 C ATOM 123 HA LEU 9 -4.839 -10.232 24.199 1.00 0.09 H ATOM 124 C LEU 9 -4.670 -8.217 23.538 1.00 0.60 C ATOM 125 O LEU 9 -3.869 -7.885 24.415 1.00 -0.57 O ATOM 126 CB LEU 9 -4.097 -10.240 22.175 1.00 -0.11 C ATOM 127 1HB LEU 9 -4.384 -9.767 21.236 1.00 0.05 H ATOM 128 2HB LEU 9 -3.073 -9.940 22.397 1.00 0.05 H ATOM 129 CG LEU 9 -4.107 -11.765 21.972 1.00 0.35 C ATOM 130 HG LEU 9 -5.134 -12.104 21.884 1.00 -0.04 H ATOM 131 CD1 LEU 9 -3.379 -12.118 20.678 1.00 -0.41 C ATOM 132 1HD1 LEU 9 -3.878 -11.636 19.836 1.00 0.10 H ATOM 133 2HD1 LEU 9 -2.340 -11.788 20.723 1.00 0.10 H ATOM 134 3HD1 LEU 9 -3.408 -13.197 20.523 1.00 0.10 H ATOM 135 CD2 LEU 9 -3.465 -12.511 23.143 1.00 -0.41 C ATOM 136 1HD2 LEU 9 -3.469 -13.582 22.942 1.00 0.10 H ATOM 137 2HD2 LEU 9 -2.437 -12.176 23.287 1.00 0.10 H ATOM 138 3HD2 LEU 9 -4.035 -12.332 24.055 1.00 0.10 H ATOM 139 N GLY 10 -5.332 -7.326 22.817 1.00 -0.42 N ATOM 140 H GLY 10 -5.949 -7.640 22.073 1.00 0.27 H ATOM 141 CA GLY 10 -5.206 -5.899 23.056 1.00 -0.03 C ATOM 142 1HA GLY 10 -4.150 -5.639 23.109 1.00 0.07 H ATOM 143 2HA GLY 10 -5.648 -5.369 22.213 1.00 0.07 H ATOM 144 C GLY 10 -5.886 -5.415 24.324 1.00 0.60 C ATOM 145 O GLY 10 -5.581 -4.306 24.753 1.00 -0.57 O ATOM 146 N LYS 11 -6.745 -6.239 24.924 1.00 -0.35 N ATOM 147 H LYS 11 -6.881 -7.167 24.530 1.00 0.28 H ATOM 148 CA LYS 11 -7.578 -5.913 26.099 1.00 -0.24 C ATOM 149 HA LYS 11 -8.175 -6.799 26.339 1.00 0.14 H ATOM 150 C LYS 11 -8.566 -4.810 25.734 1.00 0.73 C ATOM 151 O LYS 11 -8.889 -3.928 26.522 1.00 -0.59 O ATOM 152 CB LYS 11 -6.750 -5.566 27.341 1.00 -0.01 C ATOM 153 1HB LYS 11 -6.220 -4.640 27.143 1.00 0.04 H ATOM 154 2HB LYS 11 -7.424 -5.381 28.179 1.00 0.04 H ATOM 155 CG LYS 11 -5.758 -6.665 27.748 1.00 0.02 C ATOM 156 1HG LYS 11 -6.281 -7.383 28.380 1.00 0.01 H ATOM 157 2HG LYS 11 -5.403 -7.196 26.868 1.00 0.01 H ATOM 158 CD LYS 11 -4.546 -6.118 28.506 1.00 -0.05 C ATOM 159 1HD LYS 11 -4.898 -5.501 29.334 1.00 0.06 H ATOM 160 2HD LYS 11 -3.985 -6.959 28.915 1.00 0.06 H ATOM 161 CE LYS 11 -3.606 -5.283 27.616 1.00 -0.01 C ATOM 162 1HE LYS 11 -4.157 -4.425 27.222 1.00 0.11 H ATOM 163 2HE LYS 11 -2.788 -4.904 28.231 1.00 0.11 H ATOM 164 NZ LYS 11 -3.034 -6.060 26.463 1.00 -0.38 N ATOM 165 1HZ LYS 11 -2.460 -6.819 26.799 1.00 0.17 H ATOM 166 2HZ LYS 11 -3.781 -6.459 25.901 1.00 0.17 H ATOM 167 3HZ LYS 11 -2.482 -5.455 25.872 1.00 0.17 H ATOM 168 N PHE 12 -9.022 -4.895 24.494 1.00 -0.42 N ATOM 169 H PHE 12 -8.686 -5.657 23.913 1.00 0.27 H ATOM 170 CA PHE 12 -10.034 -4.013 23.918 1.00 -0.00 C ATOM 171 HA PHE 12 -10.191 -3.146 24.559 1.00 0.10 H ATOM 172 C PHE 12 -11.330 -4.829 23.833 1.00 0.60 C ATOM 173 O PHE 12 -12.369 -4.370 23.360 1.00 -0.57 O ATOM 174 CB PHE 12 -9.547 -3.566 22.534 1.00 -0.03 C ATOM 175 1HB PHE 12 -8.498 -3.284 22.620 1.00 0.03 H ATOM 176 2HB PHE 12 -9.620 -4.405 21.845 1.00 0.03 H ATOM 177 CG PHE 12 -10.299 -2.393 21.964 1.00 0.01 C ATOM 178 CD1 PHE 12 -11.334 -2.588 21.031 1.00 -0.13 C ATOM 179 HD1 PHE 12 -11.613 -3.592 20.742 1.00 0.13 H ATOM 180 CD2 PHE 12 -9.963 -1.082 22.348 1.00 -0.13 C ATOM 181 HD2 PHE 12 -9.175 -0.919 23.070 1.00 0.13 H ATOM 182 CE1 PHE 12 -12.032 -1.485 20.477 1.00 -0.17 C ATOM 183 HE1 PHE 12 -12.830 -1.650 19.769 1.00 0.14 H ATOM 184 CE2 PHE 12 -10.652 0.034 21.806 1.00 -0.17 C ATOM 185 HE2 PHE 12 -10.391 1.034 22.117 1.00 0.14 H ATOM 186 CZ PHE 12 -11.689 -0.170 20.867 1.00 -0.11 C ATOM 187 HZ PHE 12 -12.221 0.674 20.454 1.00 0.13 H ATOM 188 N LEU 13 -11.220 -6.066 24.291 1.00 -0.42 N ATOM 189 H LEU 13 -10.345 -6.377 24.702 1.00 0.27 H ATOM 190 CA LEU 13 -12.273 -7.069 24.361 1.00 -0.05 C ATOM 191 HA LEU 13 -13.219 -6.638 24.684 1.00 0.09 H ATOM 192 C LEU 13 -11.690 -7.960 25.453 1.00 0.60 C ATOM 193 O LEU 13 -12.392 -8.760 26.093 1.00 -0.57 O ATOM 194 OXT LEU 13 -10.457 -7.790 25.637 1.00 -0.57 O ATOM 195 CB LEU 13 -12.401 -7.812 23.025 1.00 -0.11 C ATOM 196 1HB LEU 13 -12.692 -7.087 22.267 1.00 0.05 H ATOM 197 2HB LEU 13 -11.416 -8.185 22.772 1.00 0.05 H ATOM 198 CG LEU 13 -13.370 -8.998 22.951 1.00 0.35 C ATOM 199 HG LEU 13 -13.075 -9.746 23.684 1.00 -0.04 H ATOM 200 CD1 LEU 13 -14.811 -8.583 23.228 1.00 -0.41 C ATOM 201 1HD1 LEU 13 -15.472 -9.438 23.100 1.00 0.10 H ATOM 202 2HD1 LEU 13 -14.888 -8.242 24.262 1.00 0.10 H ATOM 203 3HD1 LEU 13 -15.109 -7.777 22.558 1.00 0.10 H ATOM 204 CD2 LEU 13 -13.267 -9.625 21.571 1.00 -0.41 C ATOM 205 1HD2 LEU 13 -13.930 -10.487 21.517 1.00 0.10 H ATOM 206 2HD2 LEU 13 -13.544 -8.900 20.806 1.00 0.10 H ATOM 207 3HD2 LEU 13 -12.245 -9.962 21.404 1.00 0.10 H TER 208 LEU 13 END
SEQUENCE	FLSAIASMLGKFL
HELICITY	92.30	INSTAB. INDEX	2.70	FLEXIBILITY	14.07
a HYD. MOM.	59.86	b HYD. MOM.	20.54	c HYD. MOM	3.82
a MEAN HYD. MOM.	4.60	b MEAN HYD. MOM.	1.58	c MEAN HYD. MOM.	0.29
CHARGE pH5	1.00	CHARGE pH7	1.00	CHARGE pH9	0.80
Δ CHARGE pH5-pH9	0.20	ISOELECTRIC POINT	8.75	BOMAN INDEX	-1.55
ΔG	-3,09	CPP	-0,38	MLP	-1,11
MOLECULAR VOLUME		POLARITY
MIC E. coli		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	Lithobates	SPECIES	Lithobates catesbeiana
DATE	1998
TITLE PAPER	Ranatuerins: antimicrobial peptides isolated from the skin of the American bullfrog, Rana catesbeiana