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ID	104	NAME	Synthetic_4   Blast NCBI-PROT
LENGTH	10	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\RLKLLLLRLK.pdb REMARK YASARA Written on: Wed May 14 15:00:25 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 209 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 10 ARG LEU LYS LEU LEU LEU LEU ARG LEU LYS ATOM 1 N ARG 1 -4.015 -9.783 8.323 1.00 -0.35 N ATOM 2 1H ARG 1 -3.418 -10.356 8.905 1.00 -0.35 H ATOM 3 2H ARG 1 -4.944 -9.771 8.723 1.00 -0.35 H ATOM 4 3H ARG 1 -4.052 -10.176 7.393 1.00 0.28 H ATOM 5 CA ARG 1 -3.478 -8.387 8.272 1.00 -0.26 C ATOM 6 HA ARG 1 -2.457 -8.414 7.891 1.00 0.16 H ATOM 7 C ARG 1 -3.456 -7.820 9.680 1.00 0.73 C ATOM 8 O ARG 1 -4.294 -8.225 10.468 1.00 -0.59 O ATOM 9 CB ARG 1 -4.340 -7.496 7.358 1.00 -0.00 C ATOM 10 1HB ARG 1 -5.368 -7.518 7.724 1.00 0.03 H ATOM 11 2HB ARG 1 -3.975 -6.472 7.437 1.00 0.03 H ATOM 12 CG ARG 1 -4.343 -7.890 5.868 1.00 0.04 C ATOM 13 1HG ARG 1 -3.323 -7.847 5.482 1.00 0.03 H ATOM 14 2HG ARG 1 -4.715 -8.909 5.764 1.00 0.03 H ATOM 15 CD ARG 1 -5.234 -6.956 5.033 1.00 0.05 C ATOM 16 1HD ARG 1 -6.230 -6.943 5.478 1.00 0.07 H ATOM 17 2HD ARG 1 -4.832 -5.943 5.070 1.00 0.07 H ATOM 18 NE ARG 1 -5.361 -7.391 3.630 1.00 -0.53 N ATOM 19 HE ARG 1 -6.096 -8.053 3.434 1.00 0.35 H ATOM 20 CZ ARG 1 -4.642 -6.976 2.592 1.00 0.81 C ATOM 21 NH1 ARG 1 -4.892 -7.485 1.419 1.00 -0.86 N ATOM 22 1HH1 ARG 1 -5.617 -8.176 1.298 1.00 0.32 H ATOM 23 2HH1 ARG 1 -4.366 -7.182 0.611 1.00 0.32 H ATOM 24 NH2 ARG 1 -3.698 -6.072 2.665 1.00 -0.86 N ATOM 25 1HH2 ARG 1 -3.493 -5.623 3.540 1.00 0.32 H ATOM 26 2HH2 ARG 1 -3.185 -5.806 1.835 1.00 0.32 H ATOM 27 N LEU 2 -2.512 -6.951 10.022 1.00 -0.42 N ATOM 28 H LEU 2 -1.924 -6.517 9.324 1.00 0.27 H ATOM 29 CA LEU 2 -2.194 -6.681 11.432 1.00 -0.05 C ATOM 30 HA LEU 2 -1.890 -7.626 11.883 1.00 0.09 H ATOM 31 C LEU 2 -3.317 -6.146 12.319 1.00 0.60 C ATOM 32 O LEU 2 -3.447 -6.588 13.448 1.00 -0.57 O ATOM 33 CB LEU 2 -1.011 -5.708 11.521 1.00 -0.11 C ATOM 34 1HB LEU 2 -1.307 -4.775 11.042 1.00 0.05 H ATOM 35 2HB LEU 2 -0.842 -5.493 12.578 1.00 0.05 H ATOM 36 CG LEU 2 0.335 -6.144 10.919 1.00 0.35 C ATOM 37 HG LEU 2 0.179 -6.399 9.870 1.00 -0.04 H ATOM 38 CD1 LEU 2 1.320 -4.985 10.982 1.00 -0.41 C ATOM 39 1HD1 LEU 2 0.927 -4.123 10.443 1.00 0.10 H ATOM 40 2HD1 LEU 2 1.509 -4.704 12.021 1.00 0.10 H ATOM 41 3HD1 LEU 2 2.266 -5.279 10.522 1.00 0.10 H ATOM 42 CD2 LEU 2 0.927 -7.362 11.625 1.00 -0.41 C ATOM 43 1HD2 LEU 2 1.070 -7.149 12.688 1.00 0.10 H ATOM 44 2HD2 LEU 2 0.274 -8.225 11.517 1.00 0.10 H ATOM 45 3HD2 LEU 2 1.897 -7.606 11.187 1.00 0.10 H ATOM 46 N LYS 3 -4.162 -5.249 11.821 1.00 -0.35 N ATOM 47 H LYS 3 -4.021 -4.898 10.890 1.00 0.28 H ATOM 48 CA LYS 3 -5.268 -4.714 12.637 1.00 -0.24 C ATOM 49 HA LYS 3 -4.838 -4.214 13.508 1.00 0.14 H ATOM 50 C LYS 3 -6.189 -5.813 13.170 1.00 0.73 C ATOM 51 O LYS 3 -6.705 -5.725 14.278 1.00 -0.59 O ATOM 52 CB LYS 3 -6.080 -3.683 11.835 1.00 -0.01 C ATOM 53 1HB LYS 3 -5.383 -2.958 11.416 1.00 0.04 H ATOM 54 2HB LYS 3 -6.583 -4.195 11.014 1.00 0.04 H ATOM 55 CG LYS 3 -7.137 -2.932 12.668 1.00 0.02 C ATOM 56 1HG LYS 3 -7.804 -3.665 13.120 1.00 0.01 H ATOM 57 2HG LYS 3 -6.637 -2.388 13.469 1.00 0.01 H ATOM 58 CD LYS 3 -8.005 -1.951 11.871 1.00 -0.05 C ATOM 59 1HD LYS 3 -8.440 -2.471 11.016 1.00 0.06 H ATOM 60 2HD LYS 3 -8.817 -1.620 12.521 1.00 0.06 H ATOM 61 CE LYS 3 -7.240 -0.712 11.388 1.00 -0.01 C ATOM 62 1HE LYS 3 -6.743 -0.251 12.245 1.00 0.11 H ATOM 63 2HE LYS 3 -6.478 -1.016 10.668 1.00 0.11 H ATOM 64 NZ LYS 3 -8.159 0.300 10.747 1.00 -0.38 N ATOM 65 1HZ LYS 3 -7.626 1.106 10.446 1.00 0.17 H ATOM 66 2HZ LYS 3 -8.621 -0.108 9.946 1.00 0.17 H ATOM 67 3HZ LYS 3 -8.859 0.600 11.414 1.00 0.17 H ATOM 68 N LEU 4 -6.354 -6.880 12.403 1.00 -0.42 N ATOM 69 H LEU 4 -5.835 -6.964 11.546 1.00 0.27 H ATOM 70 CA LEU 4 -7.266 -7.958 12.775 1.00 -0.05 C ATOM 71 HA LEU 4 -8.229 -7.526 13.037 1.00 0.09 H ATOM 72 C LEU 4 -6.771 -8.746 13.982 1.00 0.60 C ATOM 73 O LEU 4 -7.551 -9.411 14.647 1.00 -0.57 O ATOM 74 CB LEU 4 -7.469 -8.918 11.598 1.00 -0.11 C ATOM 75 1HB LEU 4 -6.514 -9.396 11.388 1.00 0.05 H ATOM 76 2HB LEU 4 -8.165 -9.694 11.921 1.00 0.05 H ATOM 77 CG LEU 4 -8.003 -8.321 10.286 1.00 0.35 C ATOM 78 HG LEU 4 -7.310 -7.550 9.946 1.00 -0.04 H ATOM 79 CD1 LEU 4 -8.056 -9.408 9.215 1.00 -0.41 C ATOM 80 1HD1 LEU 4 -7.082 -9.872 9.099 1.00 0.10 H ATOM 81 2HD1 LEU 4 -8.781 -10.175 9.503 1.00 0.10 H ATOM 82 3HD1 LEU 4 -8.371 -8.975 8.265 1.00 0.10 H ATOM 83 CD2 LEU 4 -9.384 -7.685 10.440 1.00 -0.41 C ATOM 84 1HD2 LEU 4 -9.339 -6.841 11.126 1.00 0.10 H ATOM 85 2HD2 LEU 4 -9.745 -7.329 9.474 1.00 0.10 H ATOM 86 3HD2 LEU 4 -10.094 -8.420 10.830 1.00 0.10 H ATOM 87 N LEU 5 -5.483 -8.650 14.285 1.00 -0.42 N ATOM 88 H LEU 5 -4.875 -8.049 13.740 1.00 0.27 H ATOM 89 CA LEU 5 -4.909 -9.365 15.423 1.00 -0.05 C ATOM 90 HA LEU 5 -5.246 -10.399 15.395 1.00 0.09 H ATOM 91 C LEU 5 -5.373 -8.751 16.740 1.00 0.60 C ATOM 92 O LEU 5 -5.392 -9.430 17.768 1.00 -0.57 O ATOM 93 CB LEU 5 -3.378 -9.333 15.362 1.00 -0.11 C ATOM 94 1HB LEU 5 -3.064 -8.291 15.432 1.00 0.05 H ATOM 95 2HB LEU 5 -2.995 -9.849 16.242 1.00 0.05 H ATOM 96 CG LEU 5 -2.704 -9.946 14.122 1.00 0.35 C ATOM 97 HG LEU 5 -3.110 -9.472 13.229 1.00 -0.04 H ATOM 98 CD1 LEU 5 -1.206 -9.669 14.163 1.00 -0.41 C ATOM 99 1HD1 LEU 5 -0.758 -10.127 15.047 1.00 0.10 H ATOM 100 2HD1 LEU 5 -0.726 -10.073 13.272 1.00 0.10 H ATOM 101 3HD1 LEU 5 -1.032 -8.591 14.198 1.00 0.10 H ATOM 102 CD2 LEU 5 -2.945 -11.455 14.013 1.00 -0.41 C ATOM 103 1HD2 LEU 5 -4.009 -11.657 13.899 1.00 0.10 H ATOM 104 2HD2 LEU 5 -2.422 -11.848 13.141 1.00 0.10 H ATOM 105 3HD2 LEU 5 -2.571 -11.957 14.906 1.00 0.10 H ATOM 106 N LEU 6 -5.767 -7.486 16.688 1.00 -0.42 N ATOM 107 H LEU 6 -5.683 -6.976 15.821 1.00 0.27 H ATOM 108 CA LEU 6 -6.365 -6.802 17.833 1.00 -0.05 C ATOM 109 HA LEU 6 -6.070 -7.306 18.753 1.00 0.09 H ATOM 110 C LEU 6 -7.888 -6.821 17.740 1.00 0.60 C ATOM 111 O LEU 6 -8.557 -7.115 18.717 1.00 -0.57 O ATOM 112 CB LEU 6 -5.874 -5.351 17.877 1.00 -0.11 C ATOM 113 1HB LEU 6 -4.785 -5.370 17.904 1.00 0.05 H ATOM 114 2HB LEU 6 -6.173 -4.866 16.949 1.00 0.05 H ATOM 115 CG LEU 6 -6.366 -4.472 19.041 1.00 0.35 C ATOM 116 HG LEU 6 -7.450 -4.399 18.990 1.00 -0.04 H ATOM 117 CD1 LEU 6 -5.986 -5.022 20.418 1.00 -0.41 C ATOM 118 1HD1 LEU 6 -6.291 -4.322 21.193 1.00 0.10 H ATOM 119 2HD1 LEU 6 -6.507 -5.966 20.590 1.00 0.10 H ATOM 120 3HD1 LEU 6 -4.909 -5.185 20.477 1.00 0.10 H ATOM 121 CD2 LEU 6 -5.787 -3.067 18.875 1.00 -0.41 C ATOM 122 1HD2 LEU 6 -6.142 -2.425 19.678 1.00 0.10 H ATOM 123 2HD2 LEU 6 -4.696 -3.102 18.903 1.00 0.10 H ATOM 124 3HD2 LEU 6 -6.111 -2.647 17.922 1.00 0.10 H ATOM 125 N LEU 7 -8.420 -6.552 16.555 1.00 -0.42 N ATOM 126 H LEU 7 -7.803 -6.368 15.774 1.00 0.27 H ATOM 127 CA LEU 7 -9.866 -6.415 16.329 1.00 -0.05 C ATOM 128 HA LEU 7 -10.232 -5.606 16.964 1.00 0.09 H ATOM 129 C LEU 7 -10.675 -7.663 16.690 1.00 0.60 C ATOM 130 O LEU 7 -11.811 -7.572 17.131 1.00 -0.57 O ATOM 131 CB LEU 7 -10.071 -6.009 14.863 1.00 -0.11 C ATOM 132 1HB LEU 7 -9.351 -5.213 14.679 1.00 0.05 H ATOM 133 2HB LEU 7 -9.788 -6.851 14.238 1.00 0.05 H ATOM 134 CG LEU 7 -11.427 -5.489 14.356 1.00 0.35 C ATOM 135 HG LEU 7 -11.879 -4.874 15.133 1.00 -0.04 H ATOM 136 CD1 LEU 7 -11.176 -4.595 13.132 1.00 -0.41 C ATOM 137 1HD1 LEU 7 -12.127 -4.194 12.779 1.00 0.10 H ATOM 138 2HD1 LEU 7 -10.535 -3.762 13.414 1.00 0.10 H ATOM 139 3HD1 LEU 7 -10.711 -5.172 12.333 1.00 0.10 H ATOM 140 CD2 LEU 7 -12.410 -6.590 13.952 1.00 -0.41 C ATOM 141 1HD2 LEU 7 -13.325 -6.143 13.563 1.00 0.10 H ATOM 142 2HD2 LEU 7 -11.969 -7.240 13.198 1.00 0.10 H ATOM 143 3HD2 LEU 7 -12.675 -7.183 14.827 1.00 0.10 H ATOM 144 N ARG 8 -10.059 -8.833 16.591 1.00 -0.35 N ATOM 145 H ARG 8 -9.124 -8.859 16.205 1.00 0.28 H ATOM 146 CA ARG 8 -10.675 -10.091 17.044 1.00 -0.26 C ATOM 147 HA ARG 8 -11.657 -10.185 16.578 1.00 0.16 H ATOM 148 C ARG 8 -10.887 -10.201 18.560 1.00 0.73 C ATOM 149 O ARG 8 -11.376 -11.222 19.036 1.00 -0.59 O ATOM 150 CB ARG 8 -9.792 -11.263 16.597 1.00 -0.00 C ATOM 151 1HB ARG 8 -10.301 -12.201 16.823 1.00 0.03 H ATOM 152 2HB ARG 8 -9.649 -11.197 15.519 1.00 0.03 H ATOM 153 CG ARG 8 -8.422 -11.263 17.273 1.00 0.04 C ATOM 154 1HG ARG 8 -7.931 -10.314 17.072 1.00 0.03 H ATOM 155 2HG ARG 8 -8.541 -11.365 18.351 1.00 0.03 H ATOM 156 CD ARG 8 -7.520 -12.373 16.784 1.00 0.05 C ATOM 157 1HD ARG 8 -7.916 -13.336 17.108 1.00 0.07 H ATOM 158 2HD ARG 8 -7.462 -12.339 15.695 1.00 0.07 H ATOM 159 NE ARG 8 -6.187 -12.143 17.351 1.00 -0.53 N ATOM 160 HE ARG 8 -6.071 -11.264 17.855 1.00 0.35 H ATOM 161 CZ ARG 8 -5.117 -12.911 17.233 1.00 0.81 C ATOM 162 NH1 ARG 8 -4.001 -12.472 17.743 1.00 -0.86 N ATOM 163 1HH1 ARG 8 -3.983 -11.559 18.182 1.00 0.32 H ATOM 164 2HH1 ARG 8 -3.164 -13.028 17.699 1.00 0.32 H ATOM 165 NH2 ARG 8 -5.115 -14.072 16.630 1.00 -0.86 N ATOM 166 1HH2 ARG 8 -5.973 -14.422 16.230 1.00 0.32 H ATOM 167 2HH2 ARG 8 -4.270 -14.616 16.569 1.00 0.32 H ATOM 168 N LEU 9 -10.421 -9.211 19.306 1.00 -0.42 N ATOM 169 H LEU 9 -10.014 -8.408 18.844 1.00 0.27 H ATOM 170 CA LEU 9 -10.443 -9.218 20.768 1.00 -0.05 C ATOM 171 HA LEU 9 -11.098 -10.016 21.116 1.00 0.09 H ATOM 172 C LEU 9 -10.951 -7.899 21.357 1.00 0.60 C ATOM 173 O LEU 9 -11.664 -7.905 22.361 1.00 -0.57 O ATOM 174 CB LEU 9 -9.015 -9.485 21.263 1.00 -0.11 C ATOM 175 1HB LEU 9 -8.669 -10.402 20.789 1.00 0.05 H ATOM 176 2HB LEU 9 -8.385 -8.673 20.902 1.00 0.05 H ATOM 177 CG LEU 9 -8.772 -9.615 22.775 1.00 0.35 C ATOM 178 HG LEU 9 -9.093 -8.696 23.263 1.00 -0.04 H ATOM 179 CD1 LEU 9 -9.534 -10.786 23.397 1.00 -0.41 C ATOM 180 1HD1 LEU 9 -9.285 -11.716 22.887 1.00 0.10 H ATOM 181 2HD1 LEU 9 -9.286 -10.869 24.454 1.00 0.10 H ATOM 182 3HD1 LEU 9 -10.608 -10.605 23.312 1.00 0.10 H ATOM 183 CD2 LEU 9 -7.273 -9.789 23.029 1.00 -0.41 C ATOM 184 1HD2 LEU 9 -7.089 -9.830 24.103 1.00 0.10 H ATOM 185 2HD2 LEU 9 -6.916 -10.708 22.566 1.00 0.10 H ATOM 186 3HD2 LEU 9 -6.732 -8.937 22.616 1.00 0.10 H ATOM 187 N LYS 10 -10.576 -6.776 20.755 1.00 -0.35 N ATOM 188 H LYS 10 -9.991 -6.807 19.924 1.00 0.28 H ATOM 189 CA LYS 10 -10.953 -5.449 21.241 1.00 -0.24 C ATOM 190 HA LYS 10 -11.899 -5.510 21.778 1.00 0.14 H ATOM 191 C LYS 10 -11.125 -4.496 20.070 1.00 0.73 C ATOM 192 O LYS 10 -12.048 -3.658 20.116 1.00 -0.59 O ATOM 193 OXT LYS 10 -10.223 -4.465 19.212 1.00 -0.59 O ATOM 194 CB LYS 10 -9.850 -4.933 22.178 1.00 -0.01 C ATOM 195 1HB LYS 10 -9.695 -5.675 22.961 1.00 0.04 H ATOM 196 2HB LYS 10 -8.925 -4.857 21.610 1.00 0.04 H ATOM 197 CG LYS 10 -10.152 -3.586 22.848 1.00 0.02 C ATOM 198 1HG LYS 10 -11.133 -3.234 22.531 1.00 0.01 H ATOM 199 2HG LYS 10 -10.195 -3.748 23.925 1.00 0.01 H ATOM 200 CD LYS 10 -9.106 -2.492 22.567 1.00 -0.05 C ATOM 201 1HD LYS 10 -9.362 -1.618 23.165 1.00 0.06 H ATOM 202 2HD LYS 10 -8.132 -2.855 22.897 1.00 0.06 H ATOM 203 CE LYS 10 -8.993 -2.062 21.092 1.00 -0.01 C ATOM 204 1HE LYS 10 -8.216 -1.302 21.011 1.00 0.11 H ATOM 205 2HE LYS 10 -8.681 -2.927 20.501 1.00 0.11 H ATOM 206 NZ LYS 10 -10.269 -1.528 20.498 1.00 -0.38 N ATOM 207 1HZ LYS 10 -10.112 -1.236 19.545 1.00 0.17 H ATOM 208 2HZ LYS 10 -10.966 -2.276 20.468 1.00 0.17 H ATOM 209 3HZ LYS 10 -10.631 -0.763 21.044 1.00 0.17 H TER 210 LYS 10 END
SEQUENCE	RLKLLLLRLK
HELICITY	80.00	INSTAB. INDEX	2.79	FLEXIBILITY	7.60
a HYD. MOM.	21.58	b HYD. MOM.	8.74	c HYD. MOM	2.20
a MEAN HYD. MOM.	2.16	b MEAN HYD. MOM.	0.87	c MEAN HYD. MOM.	0.22
CHARGE pH5	4.00	CHARGE pH7	4.00	CHARGE pH9	3.77
Δ CHARGE pH5-pH9	0.23	ISOELECTRIC POINT	12.02	BOMAN INDEX	1.14
ΔG	2	CPP	0,60	MLP	-5,16
MOLECULAR VOLUME		POLARITY
MIC E. coli	20	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	2	MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	1994
TITLE PAPER	Novel synthetic antimicrobial peptides effective against methicillin-resistant Staphylococcus aureus