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ID	11	NAME	Tritrpticin   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\FPWWWPF.pdb REMARK YASARA Written on: Wed May 14 14:35:21 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 143 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 7 PHE PRO TRP TRP TRP PRO PHE ATOM 1 N PHE 1 -4.299 -8.250 12.936 1.00 -0.42 N ATOM 2 1H PHE 1 -3.465 -8.804 13.072 1.00 -0.42 H ATOM 3 2H PHE 1 -4.552 -8.254 11.958 1.00 -0.42 H ATOM 4 3H PHE 1 -4.120 -7.299 13.228 1.00 0.27 H ATOM 5 CA PHE 1 -5.415 -8.815 13.747 1.00 -0.00 C ATOM 6 HA PHE 1 -5.627 -9.828 13.408 1.00 0.10 H ATOM 7 C PHE 1 -6.645 -7.944 13.593 1.00 0.60 C ATOM 8 O PHE 1 -6.485 -6.777 13.263 1.00 -0.57 O ATOM 9 CB PHE 1 -5.025 -8.837 15.223 1.00 -0.03 C ATOM 10 1HB PHE 1 -5.179 -7.847 15.646 1.00 0.03 H ATOM 11 2HB PHE 1 -5.683 -9.530 15.741 1.00 0.03 H ATOM 12 CG PHE 1 -3.603 -9.240 15.468 1.00 0.01 C ATOM 13 CD1 PHE 1 -2.623 -8.264 15.734 1.00 -0.13 C ATOM 14 HD1 PHE 1 -2.893 -7.220 15.789 1.00 0.13 H ATOM 15 CD2 PHE 1 -3.233 -10.597 15.444 1.00 -0.13 C ATOM 16 HD2 PHE 1 -3.978 -11.362 15.274 1.00 0.13 H ATOM 17 CE1 PHE 1 -1.275 -8.633 15.945 1.00 -0.17 C ATOM 18 HE1 PHE 1 -0.528 -7.875 16.142 1.00 0.14 H ATOM 19 CE2 PHE 1 -1.887 -10.981 15.656 1.00 -0.17 C ATOM 20 HE2 PHE 1 -1.609 -12.026 15.634 1.00 0.14 H ATOM 21 CZ PHE 1 -0.905 -9.995 15.902 1.00 -0.11 C ATOM 22 HZ PHE 1 0.126 -10.284 16.065 1.00 0.13 H ATOM 23 N PRO 2 -7.867 -8.463 13.828 1.00 -0.25 N ATOM 24 CA PRO 2 -8.981 -7.525 13.616 1.00 -0.03 C ATOM 25 HA PRO 2 -8.882 -7.051 12.638 1.00 0.06 H ATOM 26 C PRO 2 -9.132 -6.422 14.670 1.00 0.59 C ATOM 27 O PRO 2 -9.629 -5.353 14.366 1.00 -0.57 O ATOM 28 CB PRO 2 -10.200 -8.449 13.603 1.00 -0.01 C ATOM 29 1HB PRO 2 -11.093 -7.928 13.949 1.00 0.03 H ATOM 30 2HB PRO 2 -10.355 -8.847 12.600 1.00 0.03 H ATOM 31 CG PRO 2 -9.821 -9.549 14.528 1.00 0.02 C ATOM 32 1HG PRO 2 -9.936 -9.223 15.562 1.00 0.02 H ATOM 33 2HG PRO 2 -10.421 -10.440 14.341 1.00 0.02 H ATOM 34 CD PRO 2 -8.364 -9.800 14.209 1.00 0.02 C ATOM 35 1HD PRO 2 -7.842 -10.186 15.084 1.00 0.04 H ATOM 36 2HD PRO 2 -8.274 -10.490 13.367 1.00 0.04 H ATOM 37 N TRP 3 -8.642 -6.627 15.888 1.00 -0.42 N ATOM 38 H TRP 3 -8.219 -7.509 16.120 1.00 0.27 H ATOM 39 CA TRP 3 -8.721 -5.619 16.955 1.00 -0.03 C ATOM 40 HA TRP 3 -9.692 -5.120 16.913 1.00 0.11 H ATOM 41 C TRP 3 -7.632 -4.546 16.839 1.00 0.60 C ATOM 42 O TRP 3 -7.319 -3.829 17.780 1.00 -0.57 O ATOM 43 CB TRP 3 -8.597 -6.327 18.308 1.00 -0.00 C ATOM 44 1HB TRP 3 -8.678 -5.585 19.103 1.00 0.03 H ATOM 45 2HB TRP 3 -9.426 -7.027 18.415 1.00 0.03 H ATOM 46 CG TRP 3 -7.300 -7.081 18.481 1.00 -0.14 C ATOM 47 CD1 TRP 3 -6.104 -6.568 18.879 1.00 -0.16 C ATOM 48 HD1 TRP 3 -5.947 -5.517 19.108 1.00 0.21 H ATOM 49 CD2 TRP 3 -7.067 -8.490 18.298 1.00 0.12 C ATOM 50 NE1 TRP 3 -5.143 -7.536 18.966 1.00 -0.34 N ATOM 51 HE1 TRP 3 -4.191 -7.370 19.263 1.00 0.34 H ATOM 52 CE2 TRP 3 -5.701 -8.737 18.625 1.00 0.14 C ATOM 53 CE3 TRP 3 -7.879 -9.575 17.909 1.00 -0.24 C ATOM 54 HE3 TRP 3 -8.926 -9.425 17.691 1.00 0.17 H ATOM 55 CZ2 TRP 3 -5.132 -10.026 18.564 1.00 -0.26 C ATOM 56 HZ2 TRP 3 -4.096 -10.188 18.825 1.00 0.16 H ATOM 57 CZ3 TRP 3 -7.308 -10.874 17.836 1.00 -0.20 C ATOM 58 HZ3 TRP 3 -7.923 -11.716 17.547 1.00 0.14 H ATOM 59 CH2 TRP 3 -5.937 -11.081 18.169 1.00 -0.11 C ATOM 60 HH2 TRP 3 -5.522 -12.080 18.124 1.00 0.14 H ATOM 61 N TRP 4 -6.994 -4.522 15.682 1.00 -0.42 N ATOM 62 H TRP 4 -7.354 -5.084 14.928 1.00 0.27 H ATOM 63 CA TRP 4 -5.761 -3.781 15.442 1.00 -0.03 C ATOM 64 HA TRP 4 -5.619 -2.991 16.181 1.00 0.11 H ATOM 65 C TRP 4 -5.857 -3.155 14.049 1.00 0.60 C ATOM 66 O TRP 4 -4.938 -2.509 13.566 1.00 -0.57 O ATOM 67 CB TRP 4 -4.649 -4.835 15.565 1.00 -0.00 C ATOM 68 1HB TRP 4 -4.522 -5.070 16.622 1.00 0.03 H ATOM 69 2HB TRP 4 -5.011 -5.730 15.074 1.00 0.03 H ATOM 70 CG TRP 4 -3.298 -4.552 14.978 1.00 -0.14 C ATOM 71 CD1 TRP 4 -2.200 -4.083 15.624 1.00 -0.16 C ATOM 72 HD1 TRP 4 -2.187 -3.801 16.670 1.00 0.21 H ATOM 73 CD2 TRP 4 -2.877 -4.773 13.616 1.00 0.12 C ATOM 74 NE1 TRP 4 -1.114 -4.025 14.791 1.00 -0.34 N ATOM 75 HE1 TRP 4 -0.200 -3.692 15.066 1.00 0.34 H ATOM 76 CE2 TRP 4 -1.487 -4.466 13.551 1.00 0.14 C ATOM 77 CE3 TRP 4 -3.538 -5.177 12.437 1.00 -0.24 C ATOM 78 HE3 TRP 4 -4.603 -5.339 12.442 1.00 0.17 H ATOM 79 CZ2 TRP 4 -0.740 -4.613 12.365 1.00 -0.26 C ATOM 80 HZ2 TRP 4 0.316 -4.384 12.344 1.00 0.16 H ATOM 81 CZ3 TRP 4 -2.793 -5.320 11.240 1.00 -0.20 C ATOM 82 HZ3 TRP 4 -3.288 -5.615 10.325 1.00 0.14 H ATOM 83 CH2 TRP 4 -1.395 -5.043 11.223 1.00 -0.11 C ATOM 84 HH2 TRP 4 -0.841 -5.154 10.301 1.00 0.14 H ATOM 85 N TRP 5 -6.958 -3.426 13.362 1.00 -0.42 N ATOM 86 H TRP 5 -7.814 -3.684 13.829 1.00 0.27 H ATOM 87 CA TRP 5 -6.957 -3.344 11.906 1.00 -0.03 C ATOM 88 HA TRP 5 -6.065 -3.853 11.564 1.00 0.11 H ATOM 89 C TRP 5 -6.950 -1.902 11.376 1.00 0.60 C ATOM 90 O TRP 5 -7.827 -1.121 11.733 1.00 -0.57 O ATOM 91 CB TRP 5 -8.163 -4.099 11.358 1.00 -0.00 C ATOM 92 1HB TRP 5 -8.203 -5.080 11.824 1.00 0.03 H ATOM 93 2HB TRP 5 -9.076 -3.554 11.598 1.00 0.03 H ATOM 94 CG TRP 5 -8.066 -4.274 9.890 1.00 -0.14 C ATOM 95 CD1 TRP 5 -8.802 -3.643 8.946 1.00 -0.16 C ATOM 96 HD1 TRP 5 -9.589 -2.919 9.154 1.00 0.21 H ATOM 97 CD2 TRP 5 -7.147 -5.113 9.166 1.00 0.12 C ATOM 98 NE1 TRP 5 -8.416 -4.003 7.689 1.00 -0.34 N ATOM 99 HE1 TRP 5 -8.841 -3.603 6.841 1.00 0.34 H ATOM 100 CE2 TRP 5 -7.383 -4.893 7.779 1.00 0.14 C ATOM 101 CE3 TRP 5 -6.114 -5.996 9.550 1.00 -0.24 C ATOM 102 HE3 TRP 5 -5.915 -6.169 10.593 1.00 0.17 H ATOM 103 CZ2 TRP 5 -6.612 -5.513 6.776 1.00 -0.26 C ATOM 104 HZ2 TRP 5 -6.810 -5.314 5.732 1.00 0.16 H ATOM 105 CZ3 TRP 5 -5.339 -6.631 8.542 1.00 -0.20 C ATOM 106 HZ3 TRP 5 -4.542 -7.305 8.816 1.00 0.14 H ATOM 107 CH2 TRP 5 -5.599 -6.374 7.162 1.00 -0.11 C ATOM 108 HH2 TRP 5 -4.995 -6.856 6.406 1.00 0.14 H ATOM 109 N PRO 6 -5.941 -1.521 10.565 1.00 -0.25 N ATOM 110 CA PRO 6 -5.879 -0.126 10.106 1.00 -0.03 C ATOM 111 HA PRO 6 -6.208 0.545 10.900 1.00 0.06 H ATOM 112 C PRO 6 -6.624 0.228 8.811 1.00 0.59 C ATOM 113 O PRO 6 -6.582 1.387 8.394 1.00 -0.57 O ATOM 114 CB PRO 6 -4.376 0.057 9.888 1.00 -0.01 C ATOM 115 1HB PRO 6 -4.169 0.862 9.184 1.00 0.03 H ATOM 116 2HB PRO 6 -3.881 0.242 10.841 1.00 0.03 H ATOM 117 CG PRO 6 -3.960 -1.246 9.337 1.00 0.02 C ATOM 118 1HG PRO 6 -4.216 -1.289 8.284 1.00 0.02 H ATOM 119 2HG PRO 6 -2.890 -1.403 9.475 1.00 0.02 H ATOM 120 CD PRO 6 -4.757 -2.272 10.095 1.00 0.02 C ATOM 121 1HD PRO 6 -5.048 -3.092 9.437 1.00 0.04 H ATOM 122 2HD PRO 6 -4.184 -2.639 10.947 1.00 0.04 H ATOM 123 N PHE 7 -7.227 -0.750 8.144 1.00 -0.42 N ATOM 124 H PHE 7 -7.295 -1.666 8.554 1.00 0.27 H ATOM 125 CA PHE 7 -7.845 -0.560 6.825 1.00 -0.00 C ATOM 126 HA PHE 7 -7.915 0.505 6.610 1.00 0.10 H ATOM 127 C PHE 7 -9.264 -1.135 6.826 1.00 0.60 C ATOM 128 O PHE 7 -9.567 -1.979 5.952 1.00 -0.57 O ATOM 129 OXT PHE 7 -10.015 -0.822 7.765 1.00 -0.57 O ATOM 130 CB PHE 7 -7.014 -1.242 5.723 1.00 -0.03 C ATOM 131 1HB PHE 7 -7.065 -2.321 5.858 1.00 0.03 H ATOM 132 2HB PHE 7 -7.454 -0.997 4.756 1.00 0.03 H ATOM 133 CG PHE 7 -5.559 -0.852 5.702 1.00 0.01 C ATOM 134 CD1 PHE 7 -5.163 0.498 5.674 1.00 -0.13 C ATOM 135 HD1 PHE 7 -5.913 1.278 5.680 1.00 0.13 H ATOM 136 CD2 PHE 7 -4.570 -1.853 5.690 1.00 -0.13 C ATOM 137 HD2 PHE 7 -4.861 -2.894 5.708 1.00 0.13 H ATOM 138 CE1 PHE 7 -3.791 0.853 5.656 1.00 -0.17 C ATOM 139 HE1 PHE 7 -3.504 1.895 5.657 1.00 0.14 H ATOM 140 CE2 PHE 7 -3.192 -1.516 5.660 1.00 -0.17 C ATOM 141 HE2 PHE 7 -2.444 -2.295 5.650 1.00 0.14 H ATOM 142 CZ PHE 7 -2.802 -0.158 5.650 1.00 -0.11 C ATOM 143 HZ PHE 7 -1.755 0.108 5.636 1.00 0.13 H TER 144 PHE 7 END
SEQUENCE	FPWWWPF
HELICITY	85.70	INSTAB. INDEX	59.49	FLEXIBILITY	5.63
a HYD. MOM.	16.71	b HYD. MOM.	5.22	c HYD. MOM	0.98
a MEAN HYD. MOM.	2.39	b MEAN HYD. MOM.	0.75	c MEAN HYD. MOM.	0.14
CHARGE pH5	0.00	CHARGE pH7	0.00	CHARGE pH9	-0.17
Δ CHARGE pH5-pH9	0.17	ISOELECTRIC POINT	5.52	BOMAN INDEX	-1.85
ΔG	-9,41	CPP	-0,25	MLP	3
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	1999
TITLE PAPER	Structure of the Antimicrobial Peptide Tritrpticin Bound to Micelles: A Distinct Membrane-Bound Peptide Fold