Back to Resultset

ID	21	NAME	L7   Blast NCBI-PROT
LENGTH	8	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\APKKQLKW.pdb REMARK YASARA Written on: Wed May 14 15:21:19 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 153 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 8 ALA PRO LYS LYS GLN LEU LYS TRP ATOM 1 N ALA 1 -9.109 -6.301 14.970 1.00 -0.42 N ATOM 2 1H ALA 1 -9.790 -6.330 15.715 1.00 -0.42 H ATOM 3 2H ALA 1 -8.533 -7.132 15.034 1.00 -0.42 H ATOM 4 3H ALA 1 -8.532 -5.478 15.051 1.00 0.27 H ATOM 5 CA ALA 1 -9.805 -6.306 13.658 1.00 0.03 C ATOM 6 HA ALA 1 -10.377 -7.232 13.606 1.00 0.08 H ATOM 7 C ALA 1 -8.767 -6.286 12.539 1.00 0.60 C ATOM 8 O ALA 1 -7.764 -5.564 12.675 1.00 -0.57 O ATOM 9 CB ALA 1 -10.772 -5.097 13.547 1.00 -0.18 C ATOM 10 1HB ALA 1 -10.214 -4.161 13.609 1.00 0.06 H ATOM 11 2HB ALA 1 -11.303 -5.135 12.594 1.00 0.06 H ATOM 12 3HB ALA 1 -11.506 -5.135 14.355 1.00 0.06 H ATOM 13 N PRO 2 -9.007 -6.987 11.409 1.00 -0.25 N ATOM 14 CA PRO 2 -7.980 -7.146 10.365 1.00 -0.03 C ATOM 15 HA PRO 2 -7.208 -7.817 10.726 1.00 0.06 H ATOM 16 C PRO 2 -7.279 -5.908 9.822 1.00 0.59 C ATOM 17 O PRO 2 -6.104 -5.983 9.499 1.00 -0.57 O ATOM 18 CB PRO 2 -8.741 -7.843 9.237 1.00 -0.01 C ATOM 19 1HB PRO 2 -9.193 -7.109 8.570 1.00 0.03 H ATOM 20 2HB PRO 2 -8.082 -8.506 8.681 1.00 0.03 H ATOM 21 CG PRO 2 -9.764 -8.624 9.930 1.00 0.02 C ATOM 22 1HG PRO 2 -10.589 -8.871 9.261 1.00 0.02 H ATOM 23 2HG PRO 2 -9.317 -9.534 10.334 1.00 0.02 H ATOM 24 CD PRO 2 -10.224 -7.745 11.050 1.00 0.02 C ATOM 25 1HD PRO 2 -11.008 -7.067 10.708 1.00 0.04 H ATOM 26 2HD PRO 2 -10.574 -8.359 11.882 1.00 0.04 H ATOM 27 N LYS 3 -7.954 -4.765 9.758 1.00 -0.35 N ATOM 28 H LYS 3 -8.907 -4.740 10.080 1.00 0.28 H ATOM 29 CA LYS 3 -7.361 -3.553 9.176 1.00 -0.24 C ATOM 30 HA LYS 3 -7.097 -3.795 8.144 1.00 0.14 H ATOM 31 C LYS 3 -6.054 -3.074 9.823 1.00 0.73 C ATOM 32 O LYS 3 -5.261 -2.416 9.163 1.00 -0.59 O ATOM 33 CB LYS 3 -8.400 -2.423 9.138 1.00 -0.01 C ATOM 34 1HB LYS 3 -9.364 -2.859 8.874 1.00 0.04 H ATOM 35 2HB LYS 3 -8.481 -1.975 10.128 1.00 0.04 H ATOM 36 CG LYS 3 -8.076 -1.337 8.109 1.00 0.02 C ATOM 37 1HG LYS 3 -7.103 -0.908 8.339 1.00 0.01 H ATOM 38 2HG LYS 3 -8.031 -1.798 7.122 1.00 0.01 H ATOM 39 CD LYS 3 -9.107 -0.215 8.080 1.00 -0.05 C ATOM 40 1HD LYS 3 -10.102 -0.647 7.953 1.00 0.06 H ATOM 41 2HD LYS 3 -9.077 0.326 9.026 1.00 0.06 H ATOM 42 CE LYS 3 -8.837 0.755 6.923 1.00 -0.01 C ATOM 43 1HE LYS 3 -8.940 0.210 5.982 1.00 0.11 H ATOM 44 2HE LYS 3 -9.598 1.539 6.944 1.00 0.11 H ATOM 45 NZ LYS 3 -7.469 1.391 6.974 1.00 -0.38 N ATOM 46 1HZ LYS 3 -7.365 1.915 7.832 1.00 0.17 H ATOM 47 2HZ LYS 3 -6.755 0.674 6.936 1.00 0.17 H ATOM 48 3HZ LYS 3 -7.351 2.017 6.188 1.00 0.17 H ATOM 49 N LYS 4 -5.801 -3.406 11.085 1.00 -0.35 N ATOM 50 H LYS 4 -6.504 -3.900 11.614 1.00 0.28 H ATOM 51 CA LYS 4 -4.474 -3.156 11.679 1.00 -0.24 C ATOM 52 HA LYS 4 -3.766 -3.040 10.855 1.00 0.14 H ATOM 53 C LYS 4 -3.935 -4.316 12.510 1.00 0.73 C ATOM 54 O LYS 4 -2.894 -4.212 13.151 1.00 -0.59 O ATOM 55 CB LYS 4 -4.437 -1.841 12.472 1.00 -0.01 C ATOM 56 1HB LYS 4 -3.392 -1.629 12.702 1.00 0.04 H ATOM 57 2HB LYS 4 -4.802 -1.043 11.826 1.00 0.04 H ATOM 58 CG LYS 4 -5.219 -1.800 13.784 1.00 0.02 C ATOM 59 1HG LYS 4 -6.283 -1.939 13.587 1.00 0.01 H ATOM 60 2HG LYS 4 -4.865 -2.591 14.444 1.00 0.01 H ATOM 61 CD LYS 4 -4.987 -0.447 14.458 1.00 -0.05 C ATOM 62 1HD LYS 4 -3.912 -0.288 14.556 1.00 0.06 H ATOM 63 2HD LYS 4 -5.400 0.340 13.826 1.00 0.06 H ATOM 64 CE LYS 4 -5.622 -0.367 15.845 1.00 -0.01 C ATOM 65 1HE LYS 4 -6.700 -0.516 15.754 1.00 0.11 H ATOM 66 2HE LYS 4 -5.209 -1.163 16.470 1.00 0.11 H ATOM 67 NZ LYS 4 -5.349 0.969 16.495 1.00 -0.38 N ATOM 68 1HZ LYS 4 -5.773 1.001 17.413 1.00 0.17 H ATOM 69 2HZ LYS 4 -4.351 1.108 16.590 1.00 0.17 H ATOM 70 3HZ LYS 4 -5.732 1.714 15.929 1.00 0.17 H ATOM 71 N GLN 5 -4.677 -5.412 12.533 1.00 -0.42 N ATOM 72 H GLN 5 -5.527 -5.449 11.991 1.00 0.27 H ATOM 73 CA GLN 5 -4.319 -6.616 13.275 1.00 -0.00 C ATOM 74 HA GLN 5 -3.237 -6.743 13.320 1.00 0.09 H ATOM 75 C GLN 5 -4.938 -7.776 12.517 1.00 0.60 C ATOM 76 O GLN 5 -6.071 -8.128 12.799 1.00 -0.57 O ATOM 77 CB GLN 5 -4.920 -6.612 14.691 1.00 -0.00 C ATOM 78 1HB GLN 5 -5.948 -6.256 14.632 1.00 0.02 H ATOM 79 2HB GLN 5 -4.936 -7.639 15.053 1.00 0.02 H ATOM 80 CG GLN 5 -4.178 -5.786 15.729 1.00 -0.06 C ATOM 81 1HG GLN 5 -4.055 -4.769 15.365 1.00 0.04 H ATOM 82 2HG GLN 5 -4.767 -5.756 16.645 1.00 0.04 H ATOM 83 CD GLN 5 -2.825 -6.378 16.055 1.00 0.69 C ATOM 84 OE1 GLN 5 -2.733 -7.426 16.684 1.00 -0.61 O ATOM 85 NE2 GLN 5 -1.773 -5.738 15.619 1.00 -0.94 N ATOM 86 1HE2 GLN 5 -0.860 -6.073 15.873 1.00 0.43 H ATOM 87 2HE2 GLN 5 -1.883 -4.933 15.013 1.00 0.43 H ATOM 88 N LEU 6 -4.223 -8.385 11.582 1.00 -0.42 N ATOM 89 H LEU 6 -3.300 -8.042 11.360 1.00 0.27 H ATOM 90 CA LEU 6 -4.715 -9.549 10.823 1.00 -0.05 C ATOM 91 HA LEU 6 -5.745 -9.354 10.532 1.00 0.09 H ATOM 92 C LEU 6 -4.697 -10.847 11.658 1.00 0.60 C ATOM 93 O LEU 6 -4.316 -11.918 11.207 1.00 -0.57 O ATOM 94 CB LEU 6 -3.863 -9.675 9.551 1.00 -0.11 C ATOM 95 1HB LEU 6 -3.710 -8.663 9.175 1.00 0.05 H ATOM 96 2HB LEU 6 -2.885 -10.057 9.846 1.00 0.05 H ATOM 97 CG LEU 6 -4.353 -10.517 8.357 1.00 0.35 C ATOM 98 HG LEU 6 -4.478 -11.550 8.675 1.00 -0.04 H ATOM 99 CD1 LEU 6 -5.690 -10.025 7.803 1.00 -0.41 C ATOM 100 1HD1 LEU 6 -6.470 -10.181 8.545 1.00 0.10 H ATOM 101 2HD1 LEU 6 -5.627 -8.966 7.548 1.00 0.10 H ATOM 102 3HD1 LEU 6 -5.949 -10.596 6.911 1.00 0.10 H ATOM 103 CD2 LEU 6 -3.299 -10.483 7.252 1.00 -0.41 C ATOM 104 1HD2 LEU 6 -3.620 -11.112 6.421 1.00 0.10 H ATOM 105 2HD2 LEU 6 -3.153 -9.462 6.896 1.00 0.10 H ATOM 106 3HD2 LEU 6 -2.355 -10.873 7.634 1.00 0.10 H ATOM 107 N LYS 7 -5.019 -10.695 12.934 1.00 -0.35 N ATOM 108 H LYS 7 -5.371 -9.786 13.212 1.00 0.28 H ATOM 109 CA LYS 7 -4.879 -11.724 13.964 1.00 -0.24 C ATOM 110 HA LYS 7 -5.192 -12.691 13.566 1.00 0.14 H ATOM 111 C LYS 7 -5.734 -11.391 15.189 1.00 0.73 C ATOM 112 O LYS 7 -5.423 -11.831 16.297 1.00 -0.59 O ATOM 113 CB LYS 7 -3.404 -11.803 14.389 1.00 -0.01 C ATOM 114 1HB LYS 7 -3.311 -12.532 15.191 1.00 0.04 H ATOM 115 2HB LYS 7 -2.818 -12.172 13.547 1.00 0.04 H ATOM 116 CG LYS 7 -2.814 -10.451 14.822 1.00 0.02 C ATOM 117 1HG LYS 7 -2.422 -9.950 13.937 1.00 0.01 H ATOM 118 2HG LYS 7 -3.602 -9.824 15.234 1.00 0.01 H ATOM 119 CD LYS 7 -1.691 -10.574 15.854 1.00 -0.05 C ATOM 120 1HD LYS 7 -0.952 -11.290 15.493 1.00 0.06 H ATOM 121 2HD LYS 7 -1.208 -9.601 15.946 1.00 0.06 H ATOM 122 CE LYS 7 -2.175 -11.008 17.250 1.00 -0.01 C ATOM 123 1HE LYS 7 -2.569 -12.025 17.194 1.00 0.11 H ATOM 124 2HE LYS 7 -1.320 -11.008 17.928 1.00 0.11 H ATOM 125 NZ LYS 7 -3.243 -10.107 17.802 1.00 -0.38 N ATOM 126 1HZ LYS 7 -4.118 -10.296 17.324 1.00 0.17 H ATOM 127 2HZ LYS 7 -3.372 -10.277 18.789 1.00 0.17 H ATOM 128 3HZ LYS 7 -2.988 -9.134 17.651 1.00 0.17 H ATOM 129 N TRP 8 -6.708 -10.504 15.030 1.00 -0.42 N ATOM 130 H TRP 8 -6.956 -10.143 14.113 1.00 0.27 H ATOM 131 CA TRP 8 -7.534 -10.008 16.129 1.00 -0.03 C ATOM 132 HA TRP 8 -7.888 -10.829 16.754 1.00 0.11 H ATOM 133 C TRP 8 -8.691 -9.326 15.424 1.00 0.60 C ATOM 134 O TRP 8 -8.497 -9.129 14.205 1.00 -0.57 O ATOM 135 OXT TRP 8 -9.640 -8.818 16.046 1.00 -0.57 O ATOM 136 CB TRP 8 -6.771 -8.980 16.970 1.00 -0.00 C ATOM 137 1HB TRP 8 -5.721 -9.251 16.983 1.00 0.03 H ATOM 138 2HB TRP 8 -6.867 -8.001 16.508 1.00 0.03 H ATOM 139 CG TRP 8 -7.245 -8.907 18.389 1.00 -0.14 C ATOM 140 CD1 TRP 8 -8.150 -8.038 18.909 1.00 -0.16 C ATOM 141 HD1 TRP 8 -8.683 -7.302 18.327 1.00 0.21 H ATOM 142 CD2 TRP 8 -6.843 -9.745 19.491 1.00 0.12 C ATOM 143 NE1 TRP 8 -8.306 -8.221 20.257 1.00 -0.34 N ATOM 144 HE1 TRP 8 -8.935 -7.688 20.839 1.00 0.34 H ATOM 145 CE2 TRP 8 -7.494 -9.246 20.656 1.00 0.14 C ATOM 146 CE3 TRP 8 -6.015 -10.880 19.612 1.00 -0.24 C ATOM 147 HE3 TRP 8 -5.566 -11.324 18.739 1.00 0.17 H ATOM 148 CZ2 TRP 8 -7.286 -9.805 21.934 1.00 -0.26 C ATOM 149 HZ2 TRP 8 -7.784 -9.402 22.802 1.00 0.16 H ATOM 150 CZ3 TRP 8 -5.800 -11.447 20.896 1.00 -0.20 C ATOM 151 HZ3 TRP 8 -5.162 -12.312 21.004 1.00 0.14 H ATOM 152 CH2 TRP 8 -6.436 -10.892 22.046 1.00 -0.11 C ATOM 153 HH2 TRP 8 -6.261 -11.333 23.017 1.00 0.14 H TER 154 TRP 8 END
SEQUENCE	APKKQLKW
HELICITY	87.50	INSTAB. INDEX	51.81	FLEXIBILITY	6.69
a HYD. MOM.	20.11	b HYD. MOM.	7.05	c HYD. MOM	2.11
a MEAN HYD. MOM.	2.51	b MEAN HYD. MOM.	0.88	c MEAN HYD. MOM.	0.26
CHARGE pH5	3.00	CHARGE pH7	3.00	CHARGE pH9	2.74
Δ CHARGE pH5-pH9	0.26	ISOELECTRIC POINT	10.30	BOMAN INDEX	1.64
ΔG	6	CPP	-0,20	MLP	-9,01
MOLECULAR VOLUME		POLARITY
MIC E. coli	16	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	2013
TITLE PAPER	A novel antimicrobial peptide derived from modified N-terminal domain of bovine lactoferrin: Design, synthesis, activity against multidrug-resistant bacteria and Candida