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ID	101	NAME	Napin large chain   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\PQGPQTRPPI.pdb REMARK YASARA Written on: Wed May 14 14:53:00 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 157 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 10 PRO GLN GLY PRO GLN THR ARG PRO PRO ILE ATOM 1 N PRO 1 -8.025 -5.038 20.236 1.00 -0.25 N ATOM 2 1H PRO 1 -7.991 -4.036 20.109 1.00 -0.25 H ATOM 3 2H PRO 1 -8.885 -5.282 20.725 1.00 -0.25 H ATOM 4 CA PRO 1 -8.045 -5.743 18.924 1.00 -0.03 C ATOM 5 HA PRO 1 -7.848 -5.052 18.102 1.00 0.06 H ATOM 6 C PRO 1 -9.405 -6.401 18.717 1.00 0.59 C ATOM 7 O PRO 1 -10.121 -6.561 19.695 1.00 -0.57 O ATOM 8 CB PRO 1 -6.927 -6.781 19.006 1.00 -0.01 C ATOM 9 1HB PRO 1 -7.215 -7.725 18.540 1.00 0.03 H ATOM 10 2HB PRO 1 -6.019 -6.388 18.543 1.00 0.03 H ATOM 11 CG PRO 1 -6.707 -6.935 20.511 1.00 0.02 C ATOM 12 1HG PRO 1 -7.467 -7.592 20.942 1.00 0.02 H ATOM 13 2HG PRO 1 -5.705 -7.317 20.723 1.00 0.02 H ATOM 14 CD PRO 1 -6.871 -5.511 21.025 1.00 0.02 C ATOM 15 1HD PRO 1 -7.081 -5.500 22.098 1.00 0.04 H ATOM 16 2HD PRO 1 -5.977 -4.924 20.798 1.00 0.04 H ATOM 17 N GLN 2 -9.774 -6.719 17.483 1.00 -0.42 N ATOM 18 H GLN 2 -9.121 -6.576 16.712 1.00 0.27 H ATOM 19 CA GLN 2 -11.107 -7.245 17.156 1.00 -0.00 C ATOM 20 HA GLN 2 -11.633 -7.525 18.069 1.00 0.09 H ATOM 21 C GLN 2 -11.004 -8.476 16.256 1.00 0.60 C ATOM 22 O GLN 2 -11.921 -8.817 15.511 1.00 -0.57 O ATOM 23 CB GLN 2 -11.921 -6.172 16.431 1.00 -0.00 C ATOM 24 1HB GLN 2 -11.370 -5.877 15.542 1.00 0.02 H ATOM 25 2HB GLN 2 -12.865 -6.606 16.121 1.00 0.02 H ATOM 26 CG GLN 2 -12.240 -4.930 17.251 1.00 -0.06 C ATOM 27 1HG GLN 2 -12.935 -5.196 18.047 1.00 0.04 H ATOM 28 2HG GLN 2 -11.326 -4.545 17.697 1.00 0.04 H ATOM 29 CD GLN 2 -12.838 -3.825 16.410 1.00 0.69 C ATOM 30 OE1 GLN 2 -12.240 -2.768 16.276 1.00 -0.61 O ATOM 31 NE2 GLN 2 -13.975 -4.055 15.812 1.00 -0.94 N ATOM 32 1HE2 GLN 2 -14.389 -3.318 15.271 1.00 0.43 H ATOM 33 2HE2 GLN 2 -14.426 -4.965 15.876 1.00 0.43 H ATOM 34 N GLY 3 -9.847 -9.121 16.264 1.00 -0.42 N ATOM 35 H GLY 3 -9.090 -8.806 16.847 1.00 0.27 H ATOM 36 CA GLY 3 -9.653 -10.245 15.367 1.00 -0.03 C ATOM 37 1HA GLY 3 -8.716 -10.753 15.589 1.00 0.07 H ATOM 38 2HA GLY 3 -10.480 -10.943 15.493 1.00 0.07 H ATOM 39 C GLY 3 -9.626 -9.725 13.939 1.00 0.60 C ATOM 40 O GLY 3 -9.169 -8.600 13.723 1.00 -0.57 O ATOM 41 N PRO 4 -10.130 -10.470 12.944 1.00 -0.25 N ATOM 42 CA PRO 4 -10.022 -9.958 11.572 1.00 -0.03 C ATOM 43 HA PRO 4 -8.995 -9.656 11.362 1.00 0.06 H ATOM 44 C PRO 4 -10.948 -8.795 11.208 1.00 0.59 C ATOM 45 O PRO 4 -10.898 -8.327 10.083 1.00 -0.57 O ATOM 46 CB PRO 4 -10.364 -11.196 10.738 1.00 -0.01 C ATOM 47 1HB PRO 4 -10.787 -10.919 9.772 1.00 0.03 H ATOM 48 2HB PRO 4 -9.478 -11.816 10.598 1.00 0.03 H ATOM 49 CG PRO 4 -11.355 -11.912 11.570 1.00 0.02 C ATOM 50 1HG PRO 4 -12.327 -11.423 11.497 1.00 0.02 H ATOM 51 2HG PRO 4 -11.429 -12.958 11.273 1.00 0.02 H ATOM 52 CD PRO 4 -10.796 -11.787 12.966 1.00 0.02 C ATOM 53 1HD PRO 4 -11.601 -11.810 13.702 1.00 0.04 H ATOM 54 2HD PRO 4 -10.067 -12.575 13.159 1.00 0.04 H ATOM 55 N GLN 5 -11.779 -8.310 12.125 1.00 -0.42 N ATOM 56 H GLN 5 -11.803 -8.705 13.054 1.00 0.27 H ATOM 57 CA GLN 5 -12.668 -7.190 11.806 1.00 -0.00 C ATOM 58 HA GLN 5 -13.258 -7.441 10.923 1.00 0.09 H ATOM 59 C GLN 5 -11.892 -5.906 11.513 1.00 0.60 C ATOM 60 O GLN 5 -12.279 -5.131 10.648 1.00 -0.57 O ATOM 61 CB GLN 5 -13.605 -6.897 12.978 1.00 -0.00 C ATOM 62 1HB GLN 5 -12.995 -6.639 13.838 1.00 0.02 H ATOM 63 2HB GLN 5 -14.213 -6.029 12.720 1.00 0.02 H ATOM 64 CG GLN 5 -14.538 -8.036 13.369 1.00 -0.06 C ATOM 65 1HG GLN 5 -15.142 -8.311 12.504 1.00 0.04 H ATOM 66 2HG GLN 5 -13.950 -8.901 13.672 1.00 0.04 H ATOM 67 CD GLN 5 -15.463 -7.658 14.512 1.00 0.69 C ATOM 68 OE1 GLN 5 -15.233 -6.703 15.241 1.00 -0.61 O ATOM 69 NE2 GLN 5 -16.527 -8.398 14.671 1.00 -0.94 N ATOM 70 1HE2 GLN 5 -17.155 -8.166 15.421 1.00 0.43 H ATOM 71 2HE2 GLN 5 -16.704 -9.173 14.058 1.00 0.43 H ATOM 72 N THR 6 -10.812 -5.687 12.254 1.00 -0.42 N ATOM 73 H THR 6 -10.541 -6.384 12.924 1.00 0.27 H ATOM 74 CA THR 6 -9.985 -4.479 12.107 1.00 -0.04 C ATOM 75 HA THR 6 -10.065 -4.109 11.084 1.00 0.10 H ATOM 76 C THR 6 -8.509 -4.745 12.394 1.00 0.60 C ATOM 77 O THR 6 -7.629 -4.335 11.645 1.00 -0.57 O ATOM 78 CB THR 6 -10.410 -3.344 13.089 1.00 0.37 C ATOM 79 HB THR 6 -9.697 -2.523 13.011 1.00 0.00 H ATOM 80 OG1 THR 6 -10.424 -3.841 14.430 1.00 -0.68 O ATOM 81 HG1 THR 6 -10.952 -3.223 14.962 1.00 0.41 H ATOM 82 CG2 THR 6 -11.803 -2.805 12.816 1.00 -0.24 C ATOM 83 1HG2 THR 6 -11.994 -1.948 13.462 1.00 0.06 H ATOM 84 2HG2 THR 6 -11.880 -2.491 11.774 1.00 0.06 H ATOM 85 3HG2 THR 6 -12.548 -3.574 13.013 1.00 0.06 H ATOM 86 N ARG 7 -8.231 -5.419 13.503 1.00 -0.35 N ATOM 87 H ARG 7 -8.994 -5.722 14.087 1.00 0.28 H ATOM 88 CA ARG 7 -6.863 -5.699 13.937 1.00 -0.26 C ATOM 89 HA ARG 7 -6.231 -5.765 13.056 1.00 0.16 H ATOM 90 C ARG 7 -6.835 -7.012 14.726 1.00 0.73 C ATOM 91 O ARG 7 -7.559 -7.111 15.733 1.00 -0.59 O ATOM 92 CB ARG 7 -6.374 -4.531 14.814 1.00 -0.00 C ATOM 93 1HB ARG 7 -6.463 -3.612 14.233 1.00 0.03 H ATOM 94 2HB ARG 7 -7.038 -4.447 15.674 1.00 0.03 H ATOM 95 CG ARG 7 -4.937 -4.629 15.338 1.00 0.04 C ATOM 96 1HG ARG 7 -4.771 -3.829 16.058 1.00 0.03 H ATOM 97 2HG ARG 7 -4.818 -5.573 15.855 1.00 0.03 H ATOM 98 CD ARG 7 -3.866 -4.542 14.255 1.00 0.05 C ATOM 99 1HD ARG 7 -4.066 -5.292 13.495 1.00 0.07 H ATOM 100 2HD ARG 7 -3.891 -3.559 13.786 1.00 0.07 H ATOM 101 NE ARG 7 -2.540 -4.811 14.829 1.00 -0.53 N ATOM 102 HE ARG 7 -2.296 -5.801 14.970 1.00 0.35 H ATOM 103 CZ ARG 7 -1.632 -3.926 15.212 1.00 0.81 C ATOM 104 NH1 ARG 7 -0.511 -4.350 15.712 1.00 -0.86 N ATOM 105 1HH1 ARG 7 -0.341 -5.366 15.779 1.00 0.32 H ATOM 106 2HH1 ARG 7 0.193 -3.719 16.023 1.00 0.32 H ATOM 107 NH2 ARG 7 -1.800 -2.630 15.117 1.00 -0.86 N ATOM 108 1HH2 ARG 7 -2.648 -2.274 14.719 1.00 0.32 H ATOM 109 2HH2 ARG 7 -1.079 -2.009 15.434 1.00 0.32 H ATOM 110 N PRO 8 -6.024 -8.009 14.314 1.00 -0.25 N ATOM 111 CA PRO 8 -5.872 -9.252 15.088 1.00 -0.03 C ATOM 112 HA PRO 8 -6.835 -9.721 15.266 1.00 0.06 H ATOM 113 C PRO 8 -5.185 -8.974 16.433 1.00 0.59 C ATOM 114 O PRO 8 -4.864 -7.828 16.720 1.00 -0.57 O ATOM 115 CB PRO 8 -5.041 -10.127 14.136 1.00 -0.01 C ATOM 116 1HB PRO 8 -4.403 -10.822 14.677 1.00 0.03 H ATOM 117 2HB PRO 8 -5.701 -10.668 13.458 1.00 0.03 H ATOM 118 CG PRO 8 -4.235 -9.189 13.387 1.00 0.02 C ATOM 119 1HG PRO 8 -3.398 -8.853 13.991 1.00 0.02 H ATOM 120 2HG PRO 8 -3.878 -9.635 12.459 1.00 0.02 H ATOM 121 CD PRO 8 -5.171 -8.058 13.108 1.00 0.02 C ATOM 122 1HD PRO 8 -4.607 -7.138 12.974 1.00 0.04 H ATOM 123 2HD PRO 8 -5.778 -8.271 12.226 1.00 0.04 H ATOM 124 N PRO 9 -4.991 -9.987 17.304 1.00 -0.25 N ATOM 125 CA PRO 9 -4.321 -9.582 18.552 1.00 -0.03 C ATOM 126 HA PRO 9 -4.864 -8.769 19.025 1.00 0.06 H ATOM 127 C PRO 9 -2.856 -9.151 18.418 1.00 0.59 C ATOM 128 O PRO 9 -2.320 -8.547 19.342 1.00 -0.57 O ATOM 129 CB PRO 9 -4.443 -10.835 19.421 1.00 -0.01 C ATOM 130 1HB PRO 9 -3.607 -10.911 20.117 1.00 0.03 H ATOM 131 2HB PRO 9 -5.389 -10.828 19.963 1.00 0.03 H ATOM 132 CG PRO 9 -4.434 -11.945 18.449 1.00 0.02 C ATOM 133 1HG PRO 9 -3.418 -12.127 18.096 1.00 0.02 H ATOM 134 2HG PRO 9 -4.856 -12.850 18.886 1.00 0.02 H ATOM 135 CD PRO 9 -5.304 -11.431 17.330 1.00 0.02 C ATOM 136 1HD PRO 9 -5.040 -11.919 16.394 1.00 0.04 H ATOM 137 2HD PRO 9 -6.359 -11.584 17.564 1.00 0.04 H ATOM 138 N ILE 10 -2.238 -9.443 17.281 1.00 -0.42 N ATOM 139 H ILE 10 -2.735 -9.927 16.560 1.00 0.27 H ATOM 140 CA ILE 10 -0.877 -9.013 16.961 1.00 -0.06 C ATOM 141 HA ILE 10 -0.376 -8.711 17.880 1.00 0.09 H ATOM 142 C ILE 10 -0.942 -7.776 16.073 1.00 0.60 C ATOM 143 O ILE 10 0.080 -7.085 15.919 1.00 -0.57 O ATOM 144 OXT ILE 10 -2.037 -7.488 15.546 1.00 -0.57 O ATOM 145 CB ILE 10 -0.052 -10.168 16.313 1.00 0.13 C ATOM 146 HB ILE 10 0.961 -9.804 16.127 1.00 0.02 H ATOM 147 CG1 ILE 10 -0.649 -10.680 14.982 1.00 -0.04 C ATOM 148 1HG1 ILE 10 -0.344 -11.720 14.864 1.00 0.02 H ATOM 149 2HG1 ILE 10 -1.736 -10.666 15.037 1.00 0.02 H ATOM 150 CG2 ILE 10 0.030 -11.351 17.306 1.00 -0.32 C ATOM 151 1HG2 ILE 10 0.407 -10.994 18.266 1.00 0.09 H ATOM 152 2HG2 ILE 10 -0.951 -11.800 17.457 1.00 0.09 H ATOM 153 3HG2 ILE 10 0.717 -12.107 16.925 1.00 0.09 H ATOM 154 CD1 ILE 10 -0.207 -9.939 13.711 1.00 -0.07 C ATOM 155 1HD1 ILE 10 -0.571 -8.912 13.728 1.00 0.02 H ATOM 156 2HD1 ILE 10 0.881 -9.934 13.645 1.00 0.02 H ATOM 157 3HD1 ILE 10 -0.617 -10.443 12.837 1.00 0.02 H TER 158 ILE 10 END
SEQUENCE	PQGPQTRPPI
HELICITY	0.00	INSTAB. INDEX	86.04	FLEXIBILITY	7.17
a HYD. MOM.	3.74	b HYD. MOM.	7.79	c HYD. MOM	0.52
a MEAN HYD. MOM.	0.37	b MEAN HYD. MOM.	0.78	c MEAN HYD. MOM.	0.05
CHARGE pH5	1.00	CHARGE pH7	1.00	CHARGE pH9	0.83
Δ CHARGE pH5-pH9	0.17	ISOELECTRIC POINT	10.18	BOMAN INDEX	2.27
ΔG	4	CPP	-0,07	MLP	-3,69
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	Tracheophyta	CLASS	Magnoliopsida	ORDER	Brassicales
FAMILY	Cruciferae	GENUS	Brassica	SPECIES	Brassica rapa subsp. Chinensis
DATE	2004
TITLE PAPER	A napin-like polypeptide from dwarf Chinese white cabbage seeds with translation-inhibitory, trypsin-inhibitory, and antibacterial activities