Back to Resultset

ID	23	NAME	L3   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\APRKNVKW.pdb REMARK YASARA Written on: Wed May 14 15:18:52 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 149 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 8 ALA PRO ARG LYS ASN VAL LYS TRP ATOM 1 N ALA 1 -4.098 -7.336 19.302 1.00 -0.42 N ATOM 2 1H ALA 1 -3.954 -8.117 18.673 1.00 -0.42 H ATOM 3 2H ALA 1 -4.020 -6.479 18.773 1.00 -0.42 H ATOM 4 3H ALA 1 -3.395 -7.353 20.026 1.00 0.27 H ATOM 5 CA ALA 1 -5.459 -7.423 19.912 1.00 0.03 C ATOM 6 HA ALA 1 -5.511 -8.348 20.485 1.00 0.08 H ATOM 7 C ALA 1 -6.511 -7.469 18.805 1.00 0.60 C ATOM 8 O ALA 1 -6.331 -6.797 17.791 1.00 -0.57 O ATOM 9 CB ALA 1 -5.705 -6.219 20.863 1.00 -0.18 C ATOM 10 1HB ALA 1 -6.690 -6.307 21.326 1.00 0.06 H ATOM 11 2HB ALA 1 -4.951 -6.206 21.654 1.00 0.06 H ATOM 12 3HB ALA 1 -5.659 -5.281 20.306 1.00 0.06 H ATOM 13 N PRO 2 -7.595 -8.260 18.961 1.00 -0.25 N ATOM 14 CA PRO 2 -8.286 -8.784 17.769 1.00 -0.03 C ATOM 15 HA PRO 2 -7.608 -9.447 17.234 1.00 0.06 H ATOM 16 C PRO 2 -8.872 -7.804 16.753 1.00 0.59 C ATOM 17 O PRO 2 -8.907 -8.118 15.570 1.00 -0.57 O ATOM 18 CB PRO 2 -9.421 -9.623 18.366 1.00 -0.01 C ATOM 19 1HB PRO 2 -10.330 -9.026 18.450 1.00 0.03 H ATOM 20 2HB PRO 2 -9.605 -10.509 17.758 1.00 0.03 H ATOM 21 CG PRO 2 -8.931 -10.012 19.701 1.00 0.02 C ATOM 22 1HG PRO 2 -9.758 -10.272 20.362 1.00 0.02 H ATOM 23 2HG PRO 2 -8.236 -10.848 19.609 1.00 0.02 H ATOM 24 CD PRO 2 -8.208 -8.797 20.193 1.00 0.02 C ATOM 25 1HD PRO 2 -8.914 -8.076 20.611 1.00 0.04 H ATOM 26 2HD PRO 2 -7.460 -9.080 20.933 1.00 0.04 H ATOM 27 N ARG 3 -9.290 -6.613 17.168 1.00 -0.35 N ATOM 28 H ARG 3 -9.199 -6.367 18.141 1.00 0.28 H ATOM 29 CA ARG 3 -9.937 -5.662 16.252 1.00 -0.26 C ATOM 30 HA ARG 3 -10.839 -6.142 15.864 1.00 0.16 H ATOM 31 C ARG 3 -9.092 -5.291 15.032 1.00 0.73 C ATOM 32 O ARG 3 -9.632 -5.085 13.949 1.00 -0.59 O ATOM 33 CB ARG 3 -10.361 -4.407 17.032 1.00 -0.00 C ATOM 34 1HB ARG 3 -10.822 -4.738 17.963 1.00 0.03 H ATOM 35 2HB ARG 3 -9.479 -3.817 17.283 1.00 0.03 H ATOM 36 CG ARG 3 -11.381 -3.514 16.311 1.00 0.04 C ATOM 37 1HG ARG 3 -11.980 -4.139 15.648 1.00 0.03 H ATOM 38 2HG ARG 3 -12.045 -3.068 17.051 1.00 0.03 H ATOM 39 CD ARG 3 -10.742 -2.386 15.495 1.00 0.05 C ATOM 40 1HD ARG 3 -10.317 -1.649 16.179 1.00 0.07 H ATOM 41 2HD ARG 3 -9.935 -2.787 14.883 1.00 0.07 H ATOM 42 NE ARG 3 -11.724 -1.732 14.617 1.00 -0.53 N ATOM 43 HE ARG 3 -12.180 -0.915 14.990 1.00 0.35 H ATOM 44 CZ ARG 3 -12.051 -2.105 13.384 1.00 0.81 C ATOM 45 NH1 ARG 3 -12.933 -1.396 12.736 1.00 -0.86 N ATOM 46 1HH1 ARG 3 -13.350 -0.587 13.165 1.00 0.32 H ATOM 47 2HH1 ARG 3 -13.204 -1.659 11.805 1.00 0.32 H ATOM 48 NH2 ARG 3 -11.554 -3.150 12.768 1.00 -0.86 N ATOM 49 1HH2 ARG 3 -10.879 -3.748 13.238 1.00 0.32 H ATOM 50 2HH2 ARG 3 -11.843 -3.375 11.834 1.00 0.32 H ATOM 51 N LYS 4 -7.777 -5.216 15.185 1.00 -0.35 N ATOM 52 H LYS 4 -7.371 -5.400 16.092 1.00 0.28 H ATOM 53 CA LYS 4 -6.892 -4.918 14.050 1.00 -0.24 C ATOM 54 HA LYS 4 -7.438 -4.335 13.306 1.00 0.14 H ATOM 55 C LYS 4 -6.383 -6.174 13.348 1.00 0.73 C ATOM 56 O LYS 4 -5.741 -6.097 12.308 1.00 -0.59 O ATOM 57 CB LYS 4 -5.680 -4.090 14.504 1.00 -0.01 C ATOM 58 1HB LYS 4 -5.056 -3.909 13.629 1.00 0.04 H ATOM 59 2HB LYS 4 -6.031 -3.121 14.860 1.00 0.04 H ATOM 60 CG LYS 4 -4.828 -4.727 15.614 1.00 0.02 C ATOM 61 1HG LYS 4 -5.207 -4.384 16.577 1.00 0.01 H ATOM 62 2HG LYS 4 -4.919 -5.810 15.578 1.00 0.01 H ATOM 63 CD LYS 4 -3.345 -4.376 15.508 1.00 -0.05 C ATOM 64 1HD LYS 4 -3.236 -3.323 15.244 1.00 0.06 H ATOM 65 2HD LYS 4 -2.871 -4.553 16.474 1.00 0.06 H ATOM 66 CE LYS 4 -2.663 -5.254 14.461 1.00 -0.01 C ATOM 67 1HE LYS 4 -2.815 -6.304 14.727 1.00 0.11 H ATOM 68 2HE LYS 4 -3.147 -5.099 13.494 1.00 0.11 H ATOM 69 NZ LYS 4 -1.187 -5.026 14.294 1.00 -0.38 N ATOM 70 1HZ LYS 4 -0.822 -5.728 13.642 1.00 0.17 H ATOM 71 2HZ LYS 4 -1.010 -4.109 13.911 1.00 0.17 H ATOM 72 3HZ LYS 4 -0.707 -5.138 15.172 1.00 0.17 H ATOM 73 N ASN 5 -6.590 -7.333 13.954 1.00 -0.42 N ATOM 74 H ASN 5 -7.430 -7.489 14.503 1.00 0.27 H ATOM 75 CA ASN 5 -5.572 -8.383 13.898 1.00 0.01 C ATOM 76 HA ASN 5 -4.622 -7.897 13.695 1.00 0.10 H ATOM 77 C ASN 5 -5.798 -9.400 12.792 1.00 0.60 C ATOM 78 O ASN 5 -5.228 -10.482 12.793 1.00 -0.57 O ATOM 79 CB ASN 5 -5.461 -9.079 15.252 1.00 -0.20 C ATOM 80 1HB ASN 5 -6.007 -8.497 15.979 1.00 0.08 H ATOM 81 2HB ASN 5 -5.903 -10.074 15.194 1.00 0.08 H ATOM 82 CG ASN 5 -4.039 -9.188 15.727 1.00 0.71 C ATOM 83 OD1 ASN 5 -3.706 -8.655 16.786 1.00 -0.59 O ATOM 84 ND2 ASN 5 -3.199 -9.835 14.977 1.00 -0.92 N ATOM 85 1HD2 ASN 5 -2.235 -9.908 15.247 1.00 0.42 H ATOM 86 2HD2 ASN 5 -3.515 -10.236 14.097 1.00 0.42 H ATOM 87 N VAL 6 -6.676 -9.031 11.874 1.00 -0.42 N ATOM 88 H VAL 6 -7.112 -8.128 11.954 1.00 0.27 H ATOM 89 CA VAL 6 -7.054 -9.876 10.746 1.00 -0.09 C ATOM 90 HA VAL 6 -6.777 -10.910 10.954 1.00 0.10 H ATOM 91 C VAL 6 -6.300 -9.447 9.489 1.00 0.60 C ATOM 92 O VAL 6 -6.414 -10.069 8.437 1.00 -0.57 O ATOM 93 CB VAL 6 -8.593 -9.821 10.525 1.00 0.30 C ATOM 94 HB VAL 6 -8.843 -10.430 9.657 1.00 -0.03 H ATOM 95 CG1 VAL 6 -9.325 -10.405 11.747 1.00 -0.32 C ATOM 96 1HG1 VAL 6 -9.158 -9.793 12.633 1.00 0.08 H ATOM 97 2HG1 VAL 6 -10.395 -10.452 11.543 1.00 0.08 H ATOM 98 3HG1 VAL 6 -8.966 -11.418 11.938 1.00 0.08 H ATOM 99 CG2 VAL 6 -9.095 -8.379 10.282 1.00 -0.32 C ATOM 100 1HG2 VAL 6 -10.159 -8.409 10.040 1.00 0.08 H ATOM 101 2HG2 VAL 6 -8.957 -7.761 11.168 1.00 0.08 H ATOM 102 3HG2 VAL 6 -8.567 -7.938 9.440 1.00 0.08 H ATOM 103 N LYS 7 -5.535 -8.365 9.601 1.00 -0.35 N ATOM 104 H LYS 7 -5.491 -7.891 10.490 1.00 0.28 H ATOM 105 CA LYS 7 -4.743 -7.846 8.477 1.00 -0.24 C ATOM 106 HA LYS 7 -4.657 -8.622 7.716 1.00 0.14 H ATOM 107 C LYS 7 -3.320 -7.420 8.809 1.00 0.73 C ATOM 108 O LYS 7 -2.514 -7.277 7.894 1.00 -0.59 O ATOM 109 CB LYS 7 -5.435 -6.634 7.854 1.00 -0.01 C ATOM 110 1HB LYS 7 -5.733 -5.953 8.648 1.00 0.04 H ATOM 111 2HB LYS 7 -4.698 -6.132 7.230 1.00 0.04 H ATOM 112 CG LYS 7 -6.648 -6.972 6.997 1.00 0.02 C ATOM 113 1HG LYS 7 -6.357 -7.714 6.255 1.00 0.01 H ATOM 114 2HG LYS 7 -7.416 -7.410 7.630 1.00 0.01 H ATOM 115 CD LYS 7 -7.240 -5.752 6.284 1.00 -0.05 C ATOM 116 1HD LYS 7 -8.152 -6.066 5.774 1.00 0.06 H ATOM 117 2HD LYS 7 -7.504 -5.000 7.029 1.00 0.06 H ATOM 118 CE LYS 7 -6.292 -5.119 5.253 1.00 -0.01 C ATOM 119 1HE LYS 7 -6.794 -4.268 4.790 1.00 0.11 H ATOM 120 2HE LYS 7 -5.406 -4.746 5.771 1.00 0.11 H ATOM 121 NZ LYS 7 -5.862 -6.093 4.189 1.00 -0.38 N ATOM 122 1HZ LYS 7 -5.372 -6.869 4.619 1.00 0.17 H ATOM 123 2HZ LYS 7 -6.671 -6.447 3.697 1.00 0.17 H ATOM 124 3HZ LYS 7 -5.243 -5.637 3.533 1.00 0.17 H ATOM 125 N TRP 8 -3.031 -7.183 10.079 1.00 -0.42 N ATOM 126 H TRP 8 -3.692 -7.386 10.815 1.00 0.27 H ATOM 127 CA TRP 8 -1.738 -6.688 10.538 1.00 -0.03 C ATOM 128 HA TRP 8 -0.924 -7.053 9.911 1.00 0.11 H ATOM 129 C TRP 8 -1.658 -7.280 11.929 1.00 0.60 C ATOM 130 O TRP 8 -0.622 -7.183 12.615 1.00 -0.57 O ATOM 131 OXT TRP 8 -2.748 -7.697 12.376 1.00 -0.57 O ATOM 132 CB TRP 8 -1.722 -5.158 10.647 1.00 -0.00 C ATOM 133 1HB TRP 8 -2.412 -4.865 11.434 1.00 0.03 H ATOM 134 2HB TRP 8 -0.720 -4.843 10.935 1.00 0.03 H ATOM 135 CG TRP 8 -2.118 -4.431 9.397 1.00 -0.14 C ATOM 136 CD1 TRP 8 -1.343 -4.186 8.309 1.00 -0.16 C ATOM 137 HD1 TRP 8 -0.317 -4.518 8.215 1.00 0.21 H ATOM 138 CD2 TRP 8 -3.395 -3.836 9.101 1.00 0.12 C ATOM 139 NE1 TRP 8 -2.025 -3.480 7.355 1.00 -0.34 N ATOM 140 HE1 TRP 8 -1.624 -3.183 6.478 1.00 0.34 H ATOM 141 CE2 TRP 8 -3.297 -3.252 7.804 1.00 0.14 C ATOM 142 CE3 TRP 8 -4.617 -3.736 9.798 1.00 -0.24 C ATOM 143 HE3 TRP 8 -4.722 -4.179 10.777 1.00 0.17 H ATOM 144 CZ2 TRP 8 -4.375 -2.570 7.200 1.00 -0.26 C ATOM 145 HZ2 TRP 8 -4.265 -2.117 6.226 1.00 0.16 H ATOM 146 CZ3 TRP 8 -5.709 -3.060 9.190 1.00 -0.20 C ATOM 147 HZ3 TRP 8 -6.648 -2.977 9.718 1.00 0.14 H ATOM 148 CH2 TRP 8 -5.569 -2.480 7.895 1.00 -0.11 C ATOM 149 HH2 TRP 8 -6.402 -1.947 7.458 1.00 0.14 H TER 150 TRP 8 END
SEQUENCE	APRKNVKW
HELICITY	25.00	INSTAB. INDEX	19.80	FLEXIBILITY	7.56
a HYD. MOM.	17.53	b HYD. MOM.	7.49	c HYD. MOM	2.63
a MEAN HYD. MOM.	2.19	b MEAN HYD. MOM.	0.94	c MEAN HYD. MOM.	0.33
CHARGE pH5	3.00	CHARGE pH7	3.00	CHARGE pH9	2.77
Δ CHARGE pH5-pH9	0.23	ISOELECTRIC POINT	11.17	BOMAN INDEX	3.06
ΔG	6	CPP	-0,22	MLP	-7,61
MOLECULAR VOLUME		POLARITY
MIC E. coli	64	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