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ID	291	NAME	Ranatuerin-6   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\FISAIASMLGKFL.pdb REMARK YASARA Written on: Wed May 14 16:54:15 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 ILE SER ALA ILE ALA SER MET LEU GLY LYS PHE LEU ATOM 1 N PHE 1 -12.779 -16.309 13.616 1.00 -0.42 N ATOM 2 1H PHE 1 -13.517 -16.649 13.016 1.00 -0.42 H ATOM 3 2H PHE 1 -12.493 -17.041 14.250 1.00 -0.42 H ATOM 4 3H PHE 1 -13.116 -15.522 14.154 1.00 0.27 H ATOM 5 CA PHE 1 -11.613 -15.880 12.791 1.00 -0.00 C ATOM 6 HA PHE 1 -11.244 -16.737 12.230 1.00 0.10 H ATOM 7 C PHE 1 -10.510 -15.395 13.716 1.00 0.60 C ATOM 8 O PHE 1 -10.800 -15.186 14.886 1.00 -0.57 O ATOM 9 CB PHE 1 -12.061 -14.793 11.804 1.00 -0.03 C ATOM 10 1HB PHE 1 -12.877 -15.195 11.203 1.00 0.03 H ATOM 11 2HB PHE 1 -12.437 -13.936 12.363 1.00 0.03 H ATOM 12 CG PHE 1 -10.974 -14.332 10.868 1.00 0.01 C ATOM 13 CD1 PHE 1 -10.430 -15.215 9.915 1.00 -0.13 C ATOM 14 HD1 PHE 1 -10.823 -16.217 9.811 1.00 0.13 H ATOM 15 CD2 PHE 1 -10.473 -13.020 10.949 1.00 -0.13 C ATOM 16 HD2 PHE 1 -10.902 -12.317 11.645 1.00 0.13 H ATOM 17 CE1 PHE 1 -9.371 -14.803 9.070 1.00 -0.17 C ATOM 18 HE1 PHE 1 -8.957 -15.487 8.341 1.00 0.14 H ATOM 19 CE2 PHE 1 -9.416 -12.594 10.110 1.00 -0.17 C ATOM 20 HE2 PHE 1 -9.037 -11.583 10.180 1.00 0.14 H ATOM 21 CZ PHE 1 -8.861 -13.490 9.170 1.00 -0.11 C ATOM 22 HZ PHE 1 -8.058 -13.168 8.521 1.00 0.13 H ATOM 23 N ILE 2 -9.275 -15.233 13.252 1.00 -0.42 N ATOM 24 H ILE 2 -9.073 -15.358 12.267 1.00 0.27 H ATOM 25 CA ILE 2 -8.146 -14.892 14.126 1.00 -0.06 C ATOM 26 HA ILE 2 -8.130 -15.615 14.943 1.00 0.09 H ATOM 27 C ILE 2 -8.236 -13.514 14.784 1.00 0.60 C ATOM 28 O ILE 2 -7.567 -13.259 15.772 1.00 -0.57 O ATOM 29 CB ILE 2 -6.790 -15.022 13.372 1.00 0.13 C ATOM 30 HB ILE 2 -5.988 -14.834 14.088 1.00 0.02 H ATOM 31 CG1 ILE 2 -6.681 -13.984 12.236 1.00 -0.04 C ATOM 32 1HG1 ILE 2 -7.406 -14.236 11.465 1.00 0.02 H ATOM 33 2HG1 ILE 2 -6.932 -13.000 12.627 1.00 0.02 H ATOM 34 CG2 ILE 2 -6.627 -16.468 12.833 1.00 -0.32 C ATOM 35 1HG2 ILE 2 -6.814 -17.190 13.630 1.00 0.09 H ATOM 36 2HG2 ILE 2 -7.301 -16.661 11.999 1.00 0.09 H ATOM 37 3HG2 ILE 2 -5.600 -16.616 12.489 1.00 0.09 H ATOM 38 CD1 ILE 2 -5.303 -13.874 11.576 1.00 -0.07 C ATOM 39 1HD1 ILE 2 -4.544 -13.662 12.332 1.00 0.02 H ATOM 40 2HD1 ILE 2 -5.052 -14.801 11.059 1.00 0.02 H ATOM 41 3HD1 ILE 2 -5.315 -13.060 10.850 1.00 0.02 H ATOM 42 N SER 3 -9.147 -12.670 14.317 1.00 -0.42 N ATOM 43 H SER 3 -9.696 -12.925 13.515 1.00 0.27 H ATOM 44 CA SER 3 -9.434 -11.380 14.943 1.00 -0.03 C ATOM 45 HA SER 3 -8.534 -10.764 14.946 1.00 0.08 H ATOM 46 C SER 3 -9.918 -11.502 16.388 1.00 0.60 C ATOM 47 O SER 3 -9.873 -10.537 17.142 1.00 -0.57 O ATOM 48 CB SER 3 -10.513 -10.681 14.123 1.00 0.21 C ATOM 49 1HB SER 3 -10.856 -9.790 14.652 1.00 0.04 H ATOM 50 2HB SER 3 -10.096 -10.389 13.159 1.00 0.04 H ATOM 51 OG SER 3 -11.595 -11.575 13.901 1.00 -0.65 O ATOM 52 HG SER 3 -12.387 -11.047 13.741 1.00 0.43 H ATOM 53 N ALA 4 -10.310 -12.702 16.799 1.00 -0.42 N ATOM 54 H ALA 4 -10.323 -13.468 16.141 1.00 0.27 H ATOM 55 CA ALA 4 -10.686 -12.976 18.181 1.00 0.03 C ATOM 56 HA ALA 4 -11.542 -12.347 18.438 1.00 0.08 H ATOM 57 C ALA 4 -9.569 -12.655 19.184 1.00 0.60 C ATOM 58 O ALA 4 -9.860 -12.383 20.341 1.00 -0.57 O ATOM 59 CB ALA 4 -11.108 -14.444 18.308 1.00 -0.18 C ATOM 60 1HB ALA 4 -11.949 -14.645 17.645 1.00 0.06 H ATOM 61 2HB ALA 4 -10.272 -15.097 18.051 1.00 0.06 H ATOM 62 3HB ALA 4 -11.413 -14.642 19.338 1.00 0.06 H ATOM 63 N ILE 5 -8.308 -12.635 18.767 1.00 -0.42 N ATOM 64 H ILE 5 -8.073 -12.860 17.806 1.00 0.27 H ATOM 65 CA ILE 5 -7.234 -12.270 19.696 1.00 -0.06 C ATOM 66 HA ILE 5 -7.367 -12.876 20.591 1.00 0.09 H ATOM 67 C ILE 5 -7.334 -10.807 20.141 1.00 0.60 C ATOM 68 O ILE 5 -6.848 -10.449 21.207 1.00 -0.57 O ATOM 69 CB ILE 5 -5.813 -12.586 19.137 1.00 0.13 C ATOM 70 HB ILE 5 -5.100 -12.425 19.947 1.00 0.02 H ATOM 71 CG1 ILE 5 -5.430 -11.634 17.982 1.00 -0.04 C ATOM 72 1HG1 ILE 5 -6.126 -11.772 17.160 1.00 0.02 H ATOM 73 2HG1 ILE 5 -5.527 -10.607 18.329 1.00 0.02 H ATOM 74 CG2 ILE 5 -5.738 -14.083 18.732 1.00 -0.32 C ATOM 75 1HG2 ILE 5 -4.700 -14.361 18.545 1.00 0.09 H ATOM 76 2HG2 ILE 5 -6.112 -14.706 19.546 1.00 0.09 H ATOM 77 3HG2 ILE 5 -6.320 -14.271 17.831 1.00 0.09 H ATOM 78 CD1 ILE 5 -4.005 -11.796 17.438 1.00 -0.07 C ATOM 79 1HD1 ILE 5 -3.285 -11.714 18.253 1.00 0.02 H ATOM 80 2HD1 ILE 5 -3.895 -12.764 16.949 1.00 0.02 H ATOM 81 3HD1 ILE 5 -3.808 -11.010 16.709 1.00 0.02 H ATOM 82 N ALA 6 -8.012 -9.962 19.373 1.00 -0.42 N ATOM 83 H ALA 6 -8.421 -10.278 18.501 1.00 0.27 H ATOM 84 CA ALA 6 -8.212 -8.578 19.782 1.00 0.03 C ATOM 85 HA ALA 6 -7.270 -8.176 20.157 1.00 0.08 H ATOM 86 C ALA 6 -9.243 -8.564 20.914 1.00 0.60 C ATOM 87 O ALA 6 -9.136 -7.806 21.876 1.00 -0.57 O ATOM 88 CB ALA 6 -8.679 -7.738 18.587 1.00 -0.18 C ATOM 89 1HB ALA 6 -9.660 -8.077 18.249 1.00 0.06 H ATOM 90 2HB ALA 6 -8.744 -6.691 18.879 1.00 0.06 H ATOM 91 3HB ALA 6 -7.963 -7.832 17.770 1.00 0.06 H ATOM 92 N SER 7 -10.224 -9.448 20.831 1.00 -0.42 N ATOM 93 H SER 7 -10.286 -10.066 20.034 1.00 0.27 H ATOM 94 CA SER 7 -11.235 -9.564 21.877 1.00 -0.03 C ATOM 95 HA SER 7 -11.647 -8.576 22.076 1.00 0.08 H ATOM 96 C SER 7 -10.615 -10.095 23.164 1.00 0.60 C ATOM 97 O SER 7 -10.992 -9.688 24.256 1.00 -0.57 O ATOM 98 CB SER 7 -12.363 -10.478 21.402 1.00 0.21 C ATOM 99 1HB SER 7 -11.984 -11.491 21.281 1.00 0.04 H ATOM 100 2HB SER 7 -13.167 -10.484 22.136 1.00 0.04 H ATOM 101 OG SER 7 -12.851 -10.012 20.154 1.00 -0.65 O ATOM 102 HG SER 7 -13.288 -9.154 20.302 1.00 0.43 H ATOM 103 N MET 8 -9.582 -10.918 23.044 1.00 -0.42 N ATOM 104 H MET 8 -9.295 -11.224 22.120 1.00 0.27 H ATOM 105 CA MET 8 -8.843 -11.407 24.214 1.00 -0.02 C ATOM 106 HA MET 8 -9.555 -11.825 24.925 1.00 0.09 H ATOM 107 C MET 8 -8.079 -10.294 24.933 1.00 0.60 C ATOM 108 O MET 8 -7.708 -10.442 26.090 1.00 -0.57 O ATOM 109 CB MET 8 -7.858 -12.510 23.816 1.00 0.03 C ATOM 110 1HB MET 8 -7.155 -12.109 23.090 1.00 0.02 H ATOM 111 2HB MET 8 -7.297 -12.816 24.699 1.00 0.02 H ATOM 112 CG MET 8 -8.523 -13.740 23.222 1.00 0.00 C ATOM 113 1HG MET 8 -9.177 -14.193 23.967 1.00 0.04 H ATOM 114 2HG MET 8 -9.122 -13.442 22.367 1.00 0.04 H ATOM 115 SD MET 8 -7.308 -14.950 22.671 1.00 -0.27 S ATOM 116 CE MET 8 -8.332 -16.012 21.654 1.00 -0.05 C ATOM 117 1HE MET 8 -7.719 -16.806 21.227 1.00 0.07 H ATOM 118 2HE MET 8 -9.121 -16.453 22.264 1.00 0.07 H ATOM 119 3HE MET 8 -8.779 -15.426 20.850 1.00 0.07 H ATOM 120 N LEU 9 -7.898 -9.145 24.293 1.00 -0.42 N ATOM 121 H LEU 9 -8.206 -9.049 23.332 1.00 0.27 H ATOM 122 CA LEU 9 -7.287 -7.994 24.961 1.00 -0.05 C ATOM 123 HA LEU 9 -6.451 -8.346 25.567 1.00 0.09 H ATOM 124 C LEU 9 -8.286 -7.293 25.880 1.00 0.60 C ATOM 125 O LEU 9 -7.919 -6.339 26.567 1.00 -0.57 O ATOM 126 CB LEU 9 -6.771 -6.966 23.943 1.00 -0.11 C ATOM 127 1HB LEU 9 -7.635 -6.549 23.432 1.00 0.05 H ATOM 128 2HB LEU 9 -6.302 -6.157 24.497 1.00 0.05 H ATOM 129 CG LEU 9 -5.775 -7.429 22.871 1.00 0.35 C ATOM 130 HG LEU 9 -6.211 -8.260 22.328 1.00 -0.04 H ATOM 131 CD1 LEU 9 -5.536 -6.293 21.877 1.00 -0.41 C ATOM 132 1HD1 LEU 9 -5.084 -5.435 22.372 1.00 0.10 H ATOM 133 2HD1 LEU 9 -4.870 -6.642 21.085 1.00 0.10 H ATOM 134 3HD1 LEU 9 -6.483 -6.002 21.419 1.00 0.10 H ATOM 135 CD2 LEU 9 -4.445 -7.886 23.465 1.00 -0.41 C ATOM 136 1HD2 LEU 9 -4.609 -8.746 24.117 1.00 0.10 H ATOM 137 2HD2 LEU 9 -3.777 -8.199 22.662 1.00 0.10 H ATOM 138 3HD2 LEU 9 -3.977 -7.083 24.032 1.00 0.10 H ATOM 139 N GLY 10 -9.548 -7.704 25.850 1.00 -0.42 N ATOM 140 H GLY 10 -9.816 -8.489 25.259 1.00 0.27 H ATOM 141 CA GLY 10 -10.579 -7.089 26.675 1.00 -0.03 C ATOM 142 1HA GLY 10 -11.478 -7.705 26.632 1.00 0.07 H ATOM 143 2HA GLY 10 -10.232 -7.055 27.708 1.00 0.07 H ATOM 144 C GLY 10 -10.941 -5.680 26.253 1.00 0.60 C ATOM 145 O GLY 10 -11.376 -4.875 27.065 1.00 -0.57 O ATOM 146 N LYS 11 -10.673 -5.358 24.993 1.00 -0.35 N ATOM 147 H LYS 11 -10.278 -6.067 24.395 1.00 0.28 H ATOM 148 CA LYS 11 -10.882 -4.004 24.454 1.00 -0.24 C ATOM 149 HA LYS 11 -11.516 -3.436 25.139 1.00 0.14 H ATOM 150 C LYS 11 -11.594 -4.010 23.108 1.00 0.73 C ATOM 151 O LYS 11 -11.727 -2.982 22.454 1.00 -0.59 O ATOM 152 CB LYS 11 -9.526 -3.294 24.341 1.00 -0.01 C ATOM 153 1HB LYS 11 -8.825 -3.962 23.843 1.00 0.04 H ATOM 154 2HB LYS 11 -9.642 -2.396 23.734 1.00 0.04 H ATOM 155 CG LYS 11 -8.972 -2.870 25.706 1.00 0.02 C ATOM 156 1HG LYS 11 -9.686 -2.180 26.156 1.00 0.01 H ATOM 157 2HG LYS 11 -8.888 -3.740 26.353 1.00 0.01 H ATOM 158 CD LYS 11 -7.610 -2.173 25.619 1.00 -0.05 C ATOM 159 1HD LYS 11 -7.640 -1.449 24.804 1.00 0.06 H ATOM 160 2HD LYS 11 -7.435 -1.633 26.550 1.00 0.06 H ATOM 161 CE LYS 11 -6.444 -3.148 25.409 1.00 -0.01 C ATOM 162 1HE LYS 11 -6.625 -3.752 24.518 1.00 0.11 H ATOM 163 2HE LYS 11 -5.529 -2.570 25.259 1.00 0.11 H ATOM 164 NZ LYS 11 -6.262 -4.045 26.599 1.00 -0.38 N ATOM 165 1HZ LYS 11 -5.429 -4.607 26.492 1.00 0.17 H ATOM 166 2HZ LYS 11 -6.190 -3.494 27.442 1.00 0.17 H ATOM 167 3HZ LYS 11 -7.060 -4.675 26.686 1.00 0.17 H ATOM 168 N PHE 12 -12.004 -5.193 22.684 1.00 -0.42 N ATOM 169 H PHE 12 -11.902 -5.991 23.286 1.00 0.27 H ATOM 170 CA PHE 12 -12.649 -5.416 21.390 1.00 -0.00 C ATOM 171 HA PHE 12 -13.189 -4.523 21.070 1.00 0.10 H ATOM 172 C PHE 12 -13.637 -6.546 21.655 1.00 0.60 C ATOM 173 O PHE 12 -13.830 -7.457 20.845 1.00 -0.57 O ATOM 174 CB PHE 12 -11.631 -5.821 20.316 1.00 -0.03 C ATOM 175 1HB PHE 12 -11.133 -6.725 20.640 1.00 0.03 H ATOM 176 2HB PHE 12 -12.166 -6.037 19.391 1.00 0.03 H ATOM 177 CG PHE 12 -10.590 -4.767 20.027 1.00 0.01 C ATOM 178 CD1 PHE 12 -10.811 -3.817 19.015 1.00 -0.13 C ATOM 179 HD1 PHE 12 -11.739 -3.827 18.461 1.00 0.13 H ATOM 180 CD2 PHE 12 -9.382 -4.722 20.751 1.00 -0.13 C ATOM 181 HD2 PHE 12 -9.205 -5.431 21.543 1.00 0.13 H ATOM 182 CE1 PHE 12 -9.835 -2.833 18.716 1.00 -0.17 C ATOM 183 HE1 PHE 12 -10.021 -2.105 17.940 1.00 0.14 H ATOM 184 CE2 PHE 12 -8.394 -3.749 20.462 1.00 -0.17 C ATOM 185 HE2 PHE 12 -7.474 -3.726 21.026 1.00 0.14 H ATOM 186 CZ PHE 12 -8.621 -2.803 19.439 1.00 -0.11 C ATOM 187 HZ PHE 12 -7.876 -2.054 19.215 1.00 0.13 H ATOM 188 N LEU 13 -14.169 -6.504 22.867 1.00 -0.42 N ATOM 189 H LEU 13 -14.044 -5.678 23.451 1.00 0.27 H ATOM 190 CA LEU 13 -15.043 -7.504 23.461 1.00 -0.05 C ATOM 191 HA LEU 13 -15.661 -8.004 22.717 1.00 0.09 H ATOM 192 C LEU 13 -15.880 -6.593 24.340 1.00 0.60 C ATOM 193 O LEU 13 -17.062 -6.848 24.623 1.00 -0.57 O ATOM 194 OXT LEU 13 -15.256 -5.563 24.697 1.00 -0.57 O ATOM 195 CB LEU 13 -14.238 -8.488 24.321 1.00 -0.11 C ATOM 196 1HB LEU 13 -13.512 -8.972 23.682 1.00 0.05 H ATOM 197 2HB LEU 13 -13.694 -7.903 25.061 1.00 0.05 H ATOM 198 CG LEU 13 -15.009 -9.578 25.075 1.00 0.35 C ATOM 199 HG LEU 13 -15.714 -9.107 25.757 1.00 -0.04 H ATOM 200 CD1 LEU 13 -15.784 -10.497 24.133 1.00 -0.41 C ATOM 201 1HD1 LEU 13 -15.115 -10.938 23.397 1.00 0.10 H ATOM 202 2HD1 LEU 13 -16.273 -11.282 24.707 1.00 0.10 H ATOM 203 3HD1 LEU 13 -16.556 -9.917 23.624 1.00 0.10 H ATOM 204 CD2 LEU 13 -14.023 -10.401 25.897 1.00 -0.41 C ATOM 205 1HD2 LEU 13 -13.291 -10.879 25.245 1.00 0.10 H ATOM 206 2HD2 LEU 13 -13.506 -9.749 26.600 1.00 0.10 H ATOM 207 3HD2 LEU 13 -14.563 -11.161 26.461 1.00 0.10 H TER 208 LEU 13 END
SEQUENCE	FISAIASMLGKFL
HELICITY	92.30	INSTAB. INDEX	2.70	FLEXIBILITY	13.48
a HYD. MOM.	59.13	b HYD. MOM.	21.10	c HYD. MOM	3.99
a MEAN HYD. MOM.	4.55	b MEAN HYD. MOM.	1.62	c MEAN HYD. MOM.	0.31
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	-2,96	CPP	-0,40	MLP	-2,03
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	100	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