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ID	14	NAME	E07LKK   Blast NCBI-PROT
LENGTH	7	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\LKLLKKL.pdb REMARK YASARA Written on: Wed May 14 14:39:07 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 145 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 7 LEU LYS LEU LEU LYS LYS LEU ATOM 1 N LEU 1 -1.653 -0.310 9.502 1.00 -0.42 N ATOM 2 1H LEU 1 -1.352 -1.264 9.648 1.00 -0.42 H ATOM 3 2H LEU 1 -2.019 -0.215 8.565 1.00 -0.42 H ATOM 4 3H LEU 1 -0.862 0.309 9.615 1.00 0.27 H ATOM 5 CA LEU 1 -2.709 0.039 10.499 1.00 -0.05 C ATOM 6 HA LEU 1 -2.265 -0.073 11.488 1.00 0.09 H ATOM 7 C LEU 1 -3.885 -0.938 10.427 1.00 0.60 C ATOM 8 O LEU 1 -3.832 -1.955 11.098 1.00 -0.57 O ATOM 9 CB LEU 1 -3.150 1.505 10.345 1.00 -0.11 C ATOM 10 1HB LEU 1 -2.252 2.123 10.352 1.00 0.05 H ATOM 11 2HB LEU 1 -3.616 1.628 9.367 1.00 0.05 H ATOM 12 CG LEU 1 -4.108 2.067 11.414 1.00 0.35 C ATOM 13 HG LEU 1 -5.012 1.461 11.421 1.00 -0.04 H ATOM 14 CD1 LEU 1 -3.506 2.043 12.819 1.00 -0.41 C ATOM 15 1HD1 LEU 1 -3.321 1.023 13.151 1.00 0.10 H ATOM 16 2HD1 LEU 1 -2.573 2.612 12.846 1.00 0.10 H ATOM 17 3HD1 LEU 1 -4.204 2.502 13.523 1.00 0.10 H ATOM 18 CD2 LEU 1 -4.501 3.492 11.051 1.00 -0.41 C ATOM 19 1HD2 LEU 1 -4.969 3.526 10.066 1.00 0.10 H ATOM 20 2HD2 LEU 1 -5.221 3.876 11.779 1.00 0.10 H ATOM 21 3HD2 LEU 1 -3.628 4.149 11.053 1.00 0.10 H ATOM 22 N LYS 2 -4.922 -0.676 9.630 1.00 -0.35 N ATOM 23 H LYS 2 -4.894 0.125 9.012 1.00 0.28 H ATOM 24 CA LYS 2 -6.177 -1.450 9.664 1.00 -0.24 C ATOM 25 HA LYS 2 -6.657 -1.268 10.627 1.00 0.14 H ATOM 26 C LYS 2 -6.052 -2.970 9.550 1.00 0.73 C ATOM 27 O LYS 2 -6.726 -3.688 10.279 1.00 -0.59 O ATOM 28 CB LYS 2 -7.099 -0.924 8.548 1.00 -0.01 C ATOM 29 1HB LYS 2 -7.264 0.142 8.712 1.00 0.04 H ATOM 30 2HB LYS 2 -6.569 -1.031 7.601 1.00 0.04 H ATOM 31 CG LYS 2 -8.471 -1.606 8.372 1.00 0.02 C ATOM 32 1HG LYS 2 -8.938 -1.189 7.480 1.00 0.01 H ATOM 33 2HG LYS 2 -8.320 -2.672 8.202 1.00 0.01 H ATOM 34 CD LYS 2 -9.441 -1.424 9.540 1.00 -0.05 C ATOM 35 1HD LYS 2 -9.008 -1.842 10.450 1.00 0.06 H ATOM 36 2HD LYS 2 -9.631 -0.360 9.684 1.00 0.06 H ATOM 37 CE LYS 2 -10.759 -2.141 9.227 1.00 -0.01 C ATOM 38 1HE LYS 2 -11.149 -1.754 8.282 1.00 0.11 H ATOM 39 2HE LYS 2 -10.554 -3.206 9.097 1.00 0.11 H ATOM 40 NZ LYS 2 -11.805 -1.967 10.296 1.00 -0.38 N ATOM 41 1HZ LYS 2 -12.647 -2.464 10.034 1.00 0.17 H ATOM 42 2HZ LYS 2 -11.467 -2.337 11.173 1.00 0.17 H ATOM 43 3HZ LYS 2 -12.025 -0.986 10.409 1.00 0.17 H ATOM 44 N LEU 3 -5.175 -3.440 8.674 1.00 -0.42 N ATOM 45 H LEU 3 -4.630 -2.801 8.129 1.00 0.27 H ATOM 46 CA LEU 3 -4.993 -4.874 8.437 1.00 -0.05 C ATOM 47 HA LEU 3 -5.933 -5.294 8.078 1.00 0.09 H ATOM 48 C LEU 3 -4.590 -5.665 9.680 1.00 0.60 C ATOM 49 O LEU 3 -5.042 -6.776 9.870 1.00 -0.57 O ATOM 50 CB LEU 3 -3.910 -5.062 7.365 1.00 -0.11 C ATOM 51 1HB LEU 3 -4.178 -4.459 6.497 1.00 0.05 H ATOM 52 2HB LEU 3 -2.977 -4.671 7.771 1.00 0.05 H ATOM 53 CG LEU 3 -3.630 -6.495 6.876 1.00 0.35 C ATOM 54 HG LEU 3 -3.414 -7.120 7.737 1.00 -0.04 H ATOM 55 CD1 LEU 3 -4.813 -7.096 6.128 1.00 -0.41 C ATOM 56 1HD1 LEU 3 -5.678 -7.149 6.785 1.00 0.10 H ATOM 57 2HD1 LEU 3 -5.052 -6.506 5.243 1.00 0.10 H ATOM 58 3HD1 LEU 3 -4.561 -8.116 5.826 1.00 0.10 H ATOM 59 CD2 LEU 3 -2.401 -6.503 5.972 1.00 -0.41 C ATOM 60 1HD2 LEU 3 -2.186 -7.530 5.669 1.00 0.10 H ATOM 61 2HD2 LEU 3 -2.572 -5.898 5.081 1.00 0.10 H ATOM 62 3HD2 LEU 3 -1.536 -6.126 6.516 1.00 0.10 H ATOM 63 N LEU 4 -3.780 -5.073 10.548 1.00 -0.42 N ATOM 64 H LEU 4 -3.564 -4.098 10.436 1.00 0.27 H ATOM 65 CA LEU 4 -3.162 -5.798 11.662 1.00 -0.05 C ATOM 66 HA LEU 4 -2.544 -6.602 11.261 1.00 0.09 H ATOM 67 C LEU 4 -4.187 -6.440 12.591 1.00 0.60 C ATOM 68 O LEU 4 -3.990 -7.536 13.098 1.00 -0.57 O ATOM 69 CB LEU 4 -2.257 -4.814 12.419 1.00 -0.11 C ATOM 70 1HB LEU 4 -1.629 -4.347 11.662 1.00 0.05 H ATOM 71 2HB LEU 4 -2.883 -4.031 12.845 1.00 0.05 H ATOM 72 CG LEU 4 -1.313 -5.316 13.527 1.00 0.35 C ATOM 73 HG LEU 4 -0.891 -6.271 13.220 1.00 -0.04 H ATOM 74 CD1 LEU 4 -0.164 -4.314 13.668 1.00 -0.41 C ATOM 75 1HD1 LEU 4 -0.540 -3.336 13.970 1.00 0.10 H ATOM 76 2HD1 LEU 4 0.540 -4.672 14.423 1.00 0.10 H ATOM 77 3HD1 LEU 4 0.377 -4.229 12.725 1.00 0.10 H ATOM 78 CD2 LEU 4 -1.973 -5.479 14.901 1.00 -0.41 C ATOM 79 1HD2 LEU 4 -2.722 -6.269 14.861 1.00 0.10 H ATOM 80 2HD2 LEU 4 -1.224 -5.777 15.637 1.00 0.10 H ATOM 81 3HD2 LEU 4 -2.439 -4.548 15.219 1.00 0.10 H ATOM 82 N LYS 5 -5.318 -5.776 12.779 1.00 -0.35 N ATOM 83 H LYS 5 -5.481 -4.925 12.266 1.00 0.28 H ATOM 84 CA LYS 5 -6.348 -6.283 13.686 1.00 -0.24 C ATOM 85 HA LYS 5 -5.846 -6.719 14.552 1.00 0.14 H ATOM 86 C LYS 5 -7.198 -7.420 13.111 1.00 0.73 C ATOM 87 O LYS 5 -8.102 -7.887 13.794 1.00 -0.59 O ATOM 88 CB LYS 5 -7.216 -5.135 14.208 1.00 -0.01 C ATOM 89 1HB LYS 5 -7.662 -4.593 13.374 1.00 0.04 H ATOM 90 2HB LYS 5 -8.014 -5.560 14.818 1.00 0.04 H ATOM 91 CG LYS 5 -6.415 -4.179 15.089 1.00 0.02 C ATOM 92 1HG LYS 5 -5.849 -4.773 15.808 1.00 0.01 H ATOM 93 2HG LYS 5 -5.716 -3.609 14.476 1.00 0.01 H ATOM 94 CD LYS 5 -7.311 -3.227 15.869 1.00 -0.05 C ATOM 95 1HD LYS 5 -7.880 -2.609 15.174 1.00 0.06 H ATOM 96 2HD LYS 5 -8.002 -3.816 16.473 1.00 0.06 H ATOM 97 CE LYS 5 -6.473 -2.343 16.792 1.00 -0.01 C ATOM 98 1HE LYS 5 -5.843 -2.987 17.412 1.00 0.11 H ATOM 99 2HE LYS 5 -5.821 -1.712 16.185 1.00 0.11 H ATOM 100 NZ LYS 5 -7.319 -1.479 17.691 1.00 -0.38 N ATOM 101 1HZ LYS 5 -7.897 -0.863 17.137 1.00 0.17 H ATOM 102 2HZ LYS 5 -7.911 -2.063 18.267 1.00 0.17 H ATOM 103 3HZ LYS 5 -6.725 -0.922 18.292 1.00 0.17 H ATOM 104 N LYS 6 -6.901 -7.891 11.905 1.00 -0.35 N ATOM 105 H LYS 6 -6.162 -7.458 11.354 1.00 0.28 H ATOM 106 CA LYS 6 -7.533 -9.104 11.367 1.00 -0.24 C ATOM 107 HA LYS 6 -8.178 -9.529 12.137 1.00 0.14 H ATOM 108 C LYS 6 -6.506 -10.176 11.014 1.00 0.73 C ATOM 109 O LYS 6 -6.907 -11.216 10.509 1.00 -0.59 O ATOM 110 CB LYS 6 -8.407 -8.806 10.136 1.00 -0.01 C ATOM 111 1HB LYS 6 -8.985 -9.705 9.929 1.00 0.04 H ATOM 112 2HB LYS 6 -9.108 -8.011 10.389 1.00 0.04 H ATOM 113 CG LYS 6 -7.658 -8.406 8.848 1.00 0.02 C ATOM 114 1HG LYS 6 -7.725 -7.324 8.732 1.00 0.01 H ATOM 115 2HG LYS 6 -6.607 -8.668 8.935 1.00 0.01 H ATOM 116 CD LYS 6 -8.219 -9.077 7.583 1.00 -0.05 C ATOM 117 1HD LYS 6 -9.147 -9.600 7.812 1.00 0.06 H ATOM 118 2HD LYS 6 -8.438 -8.294 6.856 1.00 0.06 H ATOM 119 CE LYS 6 -7.222 -10.061 6.948 1.00 -0.01 C ATOM 120 1HE LYS 6 -7.559 -10.293 5.937 1.00 0.11 H ATOM 121 2HE LYS 6 -6.257 -9.556 6.865 1.00 0.11 H ATOM 122 NZ LYS 6 -6.998 -11.361 7.680 1.00 -0.38 N ATOM 123 1HZ LYS 6 -7.758 -12.005 7.536 1.00 0.17 H ATOM 124 2HZ LYS 6 -6.118 -11.774 7.383 1.00 0.17 H ATOM 125 3HZ LYS 6 -6.890 -11.194 8.679 1.00 0.17 H ATOM 126 N LEU 7 -5.229 -9.863 11.220 1.00 -0.42 N ATOM 127 H LEU 7 -4.990 -9.368 12.066 1.00 0.27 H ATOM 128 CA LEU 7 -4.148 -10.017 10.227 1.00 -0.05 C ATOM 129 HA LEU 7 -4.089 -9.059 9.718 1.00 0.09 H ATOM 130 C LEU 7 -4.288 -11.028 9.088 1.00 0.60 C ATOM 131 O LEU 7 -4.255 -10.515 7.952 1.00 -0.57 O ATOM 132 OXT LEU 7 -4.495 -12.239 9.277 1.00 -0.57 O ATOM 133 CB LEU 7 -2.815 -10.224 10.954 1.00 -0.11 C ATOM 134 1HB LEU 7 -2.729 -9.460 11.723 1.00 0.05 H ATOM 135 2HB LEU 7 -2.863 -11.194 11.451 1.00 0.05 H ATOM 136 CG LEU 7 -1.534 -10.201 10.107 1.00 0.35 C ATOM 137 HG LEU 7 -1.570 -11.023 9.394 1.00 -0.04 H ATOM 138 CD1 LEU 7 -1.336 -8.898 9.329 1.00 -0.41 C ATOM 139 1HD1 LEU 7 -2.134 -8.801 8.593 1.00 0.10 H ATOM 140 2HD1 LEU 7 -1.357 -8.049 10.008 1.00 0.10 H ATOM 141 3HD1 LEU 7 -0.385 -8.930 8.799 1.00 0.10 H ATOM 142 CD2 LEU 7 -0.346 -10.419 11.035 1.00 -0.41 C ATOM 143 1HD2 LEU 7 -0.461 -11.369 11.558 1.00 0.10 H ATOM 144 2HD2 LEU 7 0.571 -10.456 10.448 1.00 0.10 H ATOM 145 3HD2 LEU 7 -0.282 -9.610 11.764 1.00 0.10 H TER 146 LEU 7 END
SEQUENCE	LKLLKKL
HELICITY	85.70	INSTAB. INDEX	-39.94	FLEXIBILITY	7.17
a HYD. MOM.	42.66	b HYD. MOM.	16.76	c HYD. MOM	3.60
a MEAN HYD. MOM.	6.09	b MEAN HYD. MOM.	2.39	c MEAN HYD. MOM.	0.51
CHARGE pH5	3.00	CHARGE pH7	3.00	CHARGE pH9	2.74
Δ CHARGE pH5-pH9	0.26	ISOELECTRIC POINT	10.30	BOMAN INDEX	-0.43
ΔG	3	CPP	-0,21	MLP	-9,84
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		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	1995
TITLE PAPER	Antimicrobial activities of amphiphilic peptides covalently bonded to a water-insoluble resin