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ID	63	NAME	Alveolarin   Blast NCBI-PROT
LENGTH	9	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\GVCDMADLA.pdb REMARK YASARA Written on: Wed May 14 14:37:43 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 117 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 9 GLY VAL CYS ASP MET ALA ASP LEU ALA ATOM 1 N GLY 1 -11.039 -11.592 17.850 1.00 -0.42 N ATOM 2 1H GLY 1 -10.818 -12.410 18.400 1.00 -0.42 H ATOM 3 2H GLY 1 -11.947 -11.704 17.421 1.00 -0.42 H ATOM 4 3H GLY 1 -10.342 -11.476 17.126 1.00 0.27 H ATOM 5 CA GLY 1 -11.049 -10.394 18.717 1.00 -0.03 C ATOM 6 1HA GLY 1 -11.781 -10.530 19.512 1.00 0.07 H ATOM 7 2HA GLY 1 -10.059 -10.254 19.149 1.00 0.07 H ATOM 8 C GLY 1 -11.415 -9.178 17.914 1.00 0.60 C ATOM 9 O GLY 1 -11.950 -9.370 16.834 1.00 -0.57 O ATOM 10 N VAL 2 -11.125 -7.971 18.381 1.00 -0.42 N ATOM 11 H VAL 2 -10.698 -7.855 19.287 1.00 0.27 H ATOM 12 CA VAL 2 -11.306 -6.765 17.568 1.00 -0.09 C ATOM 13 HA VAL 2 -12.313 -6.742 17.149 1.00 0.10 H ATOM 14 C VAL 2 -10.303 -6.828 16.414 1.00 0.60 C ATOM 15 O VAL 2 -9.366 -7.624 16.472 1.00 -0.57 O ATOM 16 CB VAL 2 -11.082 -5.478 18.413 1.00 0.30 C ATOM 17 HB VAL 2 -11.118 -4.618 17.744 1.00 -0.03 H ATOM 18 CG1 VAL 2 -12.202 -5.320 19.449 1.00 -0.32 C ATOM 19 1HG1 VAL 2 -13.171 -5.294 18.949 1.00 0.08 H ATOM 20 2HG1 VAL 2 -12.191 -6.139 20.168 1.00 0.08 H ATOM 21 3HG1 VAL 2 -12.070 -4.378 19.986 1.00 0.08 H ATOM 22 CG2 VAL 2 -9.720 -5.492 19.132 1.00 -0.32 C ATOM 23 1HG2 VAL 2 -9.706 -6.216 19.945 1.00 0.08 H ATOM 24 2HG2 VAL 2 -8.917 -5.727 18.434 1.00 0.08 H ATOM 25 3HG2 VAL 2 -9.521 -4.502 19.551 1.00 0.08 H ATOM 26 N CYS 3 -10.470 -6.004 15.387 1.00 -0.42 N ATOM 27 H CYS 3 -11.223 -5.333 15.381 1.00 0.27 H ATOM 28 CA CYS 3 -9.615 -6.072 14.200 1.00 0.02 C ATOM 29 HA CYS 3 -9.705 -7.075 13.780 1.00 0.11 H ATOM 30 C CYS 3 -8.133 -5.833 14.485 1.00 0.60 C ATOM 31 O CYS 3 -7.284 -6.427 13.845 1.00 -0.57 O ATOM 32 CB CYS 3 -10.116 -5.065 13.165 1.00 -0.12 C ATOM 33 1HB CYS 3 -9.891 -4.054 13.507 1.00 0.11 H ATOM 34 2HB CYS 3 -9.587 -5.228 12.222 1.00 0.11 H ATOM 35 SG CYS 3 -11.897 -5.207 12.891 1.00 -0.31 S ATOM 36 HG CYS 3 -11.913 -4.515 11.740 1.00 0.19 H ATOM 37 N ASP 4 -7.844 -5.071 15.531 1.00 -0.52 N ATOM 38 H ASP 4 -8.597 -4.644 16.037 1.00 0.29 H ATOM 39 CA ASP 4 -6.479 -4.789 16.007 1.00 0.04 C ATOM 40 HA ASP 4 -5.944 -4.199 15.261 1.00 0.09 H ATOM 41 C ASP 4 -5.644 -6.040 16.314 1.00 0.54 C ATOM 42 O ASP 4 -4.427 -6.026 16.323 1.00 -0.58 O ATOM 43 CB ASP 4 -6.622 -3.963 17.286 1.00 -0.03 C ATOM 44 1HB ASP 4 -7.335 -3.156 17.109 1.00 -0.01 H ATOM 45 2HB ASP 4 -7.014 -4.605 18.072 1.00 -0.01 H ATOM 46 CG ASP 4 -5.313 -3.366 17.759 1.00 0.80 C ATOM 47 OD1 ASP 4 -4.656 -2.655 16.974 1.00 -0.55 O ATOM 48 OD2 ASP 4 -4.999 -3.543 18.954 1.00 -0.55 O ATOM 49 N MET 5 -6.319 -7.167 16.489 1.00 -0.42 N ATOM 50 H MET 5 -7.329 -7.140 16.451 1.00 0.27 H ATOM 51 CA MET 5 -5.659 -8.457 16.667 1.00 -0.02 C ATOM 52 HA MET 5 -4.974 -8.392 17.513 1.00 0.09 H ATOM 53 C MET 5 -4.870 -8.927 15.431 1.00 0.60 C ATOM 54 O MET 5 -3.987 -9.775 15.558 1.00 -0.57 O ATOM 55 CB MET 5 -6.758 -9.481 16.975 1.00 0.03 C ATOM 56 1HB MET 5 -7.432 -9.041 17.709 1.00 0.02 H ATOM 57 2HB MET 5 -7.322 -9.645 16.059 1.00 0.02 H ATOM 58 CG MET 5 -6.307 -10.828 17.520 1.00 0.00 C ATOM 59 1HG MET 5 -5.549 -11.256 16.864 1.00 0.04 H ATOM 60 2HG MET 5 -5.878 -10.686 18.512 1.00 0.04 H ATOM 61 SD MET 5 -7.711 -11.971 17.615 1.00 -0.27 S ATOM 62 CE MET 5 -7.764 -12.575 15.897 1.00 -0.05 C ATOM 63 1HE MET 5 -6.795 -13.008 15.636 1.00 0.07 H ATOM 64 2HE MET 5 -8.531 -13.342 15.795 1.00 0.07 H ATOM 65 3HE MET 5 -7.978 -11.751 15.216 1.00 0.07 H ATOM 66 N ALA 6 -5.225 -8.451 14.241 1.00 -0.42 N ATOM 67 H ALA 6 -5.921 -7.715 14.194 1.00 0.27 H ATOM 68 CA ALA 6 -4.633 -8.956 12.994 1.00 0.03 C ATOM 69 HA ALA 6 -3.599 -9.234 13.203 1.00 0.08 H ATOM 70 C ALA 6 -4.591 -8.004 11.785 1.00 0.60 C ATOM 71 O ALA 6 -3.808 -8.221 10.868 1.00 -0.57 O ATOM 72 CB ALA 6 -5.393 -10.234 12.583 1.00 -0.18 C ATOM 73 1HB ALA 6 -4.935 -10.647 11.682 1.00 0.06 H ATOM 74 2HB ALA 6 -5.331 -10.971 13.384 1.00 0.06 H ATOM 75 3HB ALA 6 -6.436 -9.994 12.377 1.00 0.06 H ATOM 76 N ASP 7 -5.456 -7.000 11.754 1.00 -0.52 N ATOM 77 H ASP 7 -6.031 -6.817 12.567 1.00 0.29 H ATOM 78 CA ASP 7 -5.689 -6.115 10.600 1.00 0.04 C ATOM 79 HA ASP 7 -5.644 -6.698 9.679 1.00 0.09 H ATOM 80 C ASP 7 -4.645 -4.992 10.525 1.00 0.54 C ATOM 81 O ASP 7 -4.958 -3.803 10.569 1.00 -0.58 O ATOM 82 CB ASP 7 -7.104 -5.545 10.775 1.00 -0.03 C ATOM 83 1HB ASP 7 -7.758 -6.359 11.089 1.00 -0.01 H ATOM 84 2HB ASP 7 -7.099 -4.794 11.566 1.00 -0.01 H ATOM 85 CG ASP 7 -7.686 -4.943 9.510 1.00 0.80 C ATOM 86 OD1 ASP 7 -7.250 -5.284 8.393 1.00 -0.55 O ATOM 87 OD2 ASP 7 -8.692 -4.207 9.651 1.00 -0.55 O ATOM 88 N LEU 8 -3.383 -5.400 10.566 1.00 -0.42 N ATOM 89 H LEU 8 -3.208 -6.399 10.502 1.00 0.27 H ATOM 90 CA LEU 8 -2.259 -4.493 10.813 1.00 -0.05 C ATOM 91 HA LEU 8 -2.645 -3.488 10.979 1.00 0.09 H ATOM 92 C LEU 8 -1.209 -4.405 9.705 1.00 0.60 C ATOM 93 O LEU 8 -0.389 -3.480 9.707 1.00 -0.57 O ATOM 94 CB LEU 8 -1.544 -4.950 12.092 1.00 -0.11 C ATOM 95 1HB LEU 8 -1.110 -5.929 11.888 1.00 0.05 H ATOM 96 2HB LEU 8 -0.722 -4.259 12.273 1.00 0.05 H ATOM 97 CG LEU 8 -2.352 -5.065 13.396 1.00 0.35 C ATOM 98 HG LEU 8 -3.175 -5.761 13.245 1.00 -0.04 H ATOM 99 CD1 LEU 8 -1.446 -5.636 14.487 1.00 -0.41 C ATOM 100 1HD1 LEU 8 -1.087 -6.620 14.191 1.00 0.10 H ATOM 101 2HD1 LEU 8 -0.603 -4.969 14.667 1.00 0.10 H ATOM 102 3HD1 LEU 8 -2.021 -5.740 15.411 1.00 0.10 H ATOM 103 CD2 LEU 8 -2.931 -3.727 13.852 1.00 -0.41 C ATOM 104 1HD2 LEU 8 -3.663 -3.375 13.123 1.00 0.10 H ATOM 105 2HD2 LEU 8 -3.438 -3.852 14.813 1.00 0.10 H ATOM 106 3HD2 LEU 8 -2.142 -2.986 13.962 1.00 0.10 H ATOM 107 N ALA 9 -1.191 -5.379 8.804 1.00 -0.42 N ATOM 108 H ALA 9 -1.907 -6.101 8.797 1.00 0.27 H ATOM 109 CA ALA 9 -0.199 -5.494 7.737 1.00 0.03 C ATOM 110 HA ALA 9 -0.040 -4.532 7.251 1.00 0.08 H ATOM 111 C ALA 9 -0.851 -6.470 6.764 1.00 0.60 C ATOM 112 O ALA 9 -0.417 -6.599 5.602 1.00 -0.57 O ATOM 113 OXT ALA 9 -1.797 -7.129 7.249 1.00 -0.57 O ATOM 114 CB ALA 9 1.126 -6.066 8.283 1.00 -0.18 C ATOM 115 1HB ALA 9 0.935 -7.024 8.768 1.00 0.06 H ATOM 116 2HB ALA 9 1.817 -6.214 7.452 1.00 0.06 H ATOM 117 3HB ALA 9 1.557 -5.367 9.000 1.00 0.06 H TER 118 ALA 9 END
SEQUENCE	GVCDMADLA
HELICITY	77.80	INSTAB. INDEX	34.57	FLEXIBILITY	17.22
a HYD. MOM.	21.04	b HYD. MOM.	12.20	c HYD. MOM	2.23
a MEAN HYD. MOM.	2.34	b MEAN HYD. MOM.	1.36	c MEAN HYD. MOM.	0.25
CHARGE pH5	-1.86	CHARGE pH7	-2.05	CHARGE pH9	-2.99
Δ CHARGE pH5-pH9	1.13	ISOELECTRIC POINT	3.56	BOMAN INDEX	0.03
ΔG	7	CPP	-0,70	MLP	-5,26
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	Basidiomycota	CLASS	Agaricomycetes	ORDER	Polyporales
FAMILY	Polyporaceae	GENUS	Polyporus	SPECIES	Polyporus alveolaris
DATE	2004
TITLE PAPER	Alveolarin, a novel antifungal polypeptide from the wild mushroom Polyporus alveolaris