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ID	83	NAME	Antimicrobial ribonuclease   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\DNGEAGRAAR.pdb REMARK YASARA Written on: Wed May 14 15:00:18 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 136 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 10 ASP ASN GLY GLU ALA GLY ARG ALA ALA ARG ATOM 1 N ASP 1 -9.083 -4.452 11.162 1.00 -0.52 N ATOM 2 1H ASP 1 -9.747 -3.742 11.437 1.00 -0.52 H ATOM 3 2H ASP 1 -8.393 -4.065 10.537 1.00 -0.52 H ATOM 4 3H ASP 1 -9.578 -5.201 10.689 1.00 0.29 H ATOM 5 CA ASP 1 -8.417 -4.994 12.375 1.00 0.04 C ATOM 6 HA ASP 1 -7.951 -4.183 12.935 1.00 0.09 H ATOM 7 C ASP 1 -7.356 -5.988 11.971 1.00 0.54 C ATOM 8 O ASP 1 -7.214 -6.234 10.782 1.00 -0.58 O ATOM 9 CB ASP 1 -9.468 -5.670 13.249 1.00 -0.03 C ATOM 10 1HB ASP 1 -10.054 -6.346 12.634 1.00 -0.01 H ATOM 11 2HB ASP 1 -8.974 -6.253 14.018 1.00 -0.01 H ATOM 12 CG ASP 1 -10.385 -4.669 13.900 1.00 0.80 C ATOM 13 OD1 ASP 1 -11.262 -5.059 14.690 1.00 -0.55 O ATOM 14 OD2 ASP 1 -10.207 -3.465 13.615 1.00 -0.55 O ATOM 15 N ASN 2 -6.620 -6.572 12.910 1.00 -0.42 N ATOM 16 H ASN 2 -6.708 -6.286 13.886 1.00 0.27 H ATOM 17 CA ASN 2 -5.734 -7.691 12.570 1.00 0.01 C ATOM 18 HA ASN 2 -5.232 -7.484 11.623 1.00 0.10 H ATOM 19 C ASN 2 -6.622 -8.932 12.389 1.00 0.60 C ATOM 20 O ASN 2 -6.301 -9.885 11.680 1.00 -0.57 O ATOM 21 CB ASN 2 -4.672 -7.890 13.660 1.00 -0.20 C ATOM 22 1HB ASN 2 -4.221 -6.925 13.889 1.00 0.08 H ATOM 23 2HB ASN 2 -5.140 -8.274 14.561 1.00 0.08 H ATOM 24 CG ASN 2 -3.572 -8.836 13.237 1.00 0.71 C ATOM 25 OD1 ASN 2 -3.338 -9.057 12.063 1.00 -0.59 O ATOM 26 ND2 ASN 2 -2.876 -9.395 14.185 1.00 -0.92 N ATOM 27 1HD2 ASN 2 -2.110 -9.987 13.928 1.00 0.42 H ATOM 28 2HD2 ASN 2 -3.096 -9.229 15.170 1.00 0.42 H ATOM 29 N GLY 3 -7.784 -8.896 13.024 1.00 -0.42 N ATOM 30 H GLY 3 -7.881 -8.303 13.847 1.00 0.27 H ATOM 31 CA GLY 3 -8.958 -9.616 12.564 1.00 -0.03 C ATOM 32 1HA GLY 3 -9.142 -9.375 11.516 1.00 0.07 H ATOM 33 2HA GLY 3 -8.816 -10.690 12.679 1.00 0.07 H ATOM 34 C GLY 3 -10.134 -9.157 13.402 1.00 0.60 C ATOM 35 O GLY 3 -10.015 -9.048 14.612 1.00 -0.57 O ATOM 36 N GLU 4 -11.269 -8.874 12.785 1.00 -0.52 N ATOM 37 H GLU 4 -11.338 -8.985 11.767 1.00 0.29 H ATOM 38 CA GLU 4 -12.427 -8.278 13.467 1.00 0.04 C ATOM 39 HA GLU 4 -12.107 -7.382 14.003 1.00 0.11 H ATOM 40 C GLU 4 -13.059 -9.223 14.489 1.00 0.54 C ATOM 41 O GLU 4 -13.804 -8.819 15.379 1.00 -0.58 O ATOM 42 CB GLU 4 -13.474 -7.874 12.419 1.00 0.06 C ATOM 43 1HB GLU 4 -13.719 -8.752 11.821 1.00 -0.02 H ATOM 44 2HB GLU 4 -14.379 -7.564 12.942 1.00 -0.02 H ATOM 45 CG GLU 4 -13.058 -6.724 11.480 1.00 0.01 C ATOM 46 1HG GLU 4 -13.933 -6.413 10.907 1.00 -0.04 H ATOM 47 2HG GLU 4 -12.735 -5.880 12.091 1.00 -0.04 H ATOM 48 CD GLU 4 -11.933 -7.079 10.507 1.00 0.81 C ATOM 49 OE1 GLU 4 -11.108 -6.187 10.209 1.00 -0.57 O ATOM 50 OE2 GLU 4 -11.810 -8.262 10.105 1.00 -0.57 O ATOM 51 N ALA 5 -12.692 -10.494 14.401 1.00 -0.42 N ATOM 52 H ALA 5 -12.089 -10.754 13.640 1.00 0.27 H ATOM 53 CA ALA 5 -13.065 -11.511 15.381 1.00 0.03 C ATOM 54 HA ALA 5 -14.118 -11.376 15.631 1.00 0.08 H ATOM 55 C ALA 5 -12.248 -11.384 16.686 1.00 0.60 C ATOM 56 O ALA 5 -11.537 -12.308 17.074 1.00 -0.57 O ATOM 57 CB ALA 5 -12.886 -12.905 14.753 1.00 -0.18 C ATOM 58 1HB ALA 5 -13.494 -12.983 13.851 1.00 0.06 H ATOM 59 2HB ALA 5 -11.837 -13.070 14.504 1.00 0.06 H ATOM 60 3HB ALA 5 -13.208 -13.667 15.465 1.00 0.06 H ATOM 61 N GLY 6 -12.302 -10.227 17.330 1.00 -0.42 N ATOM 62 H GLY 6 -12.841 -9.468 16.911 1.00 0.27 H ATOM 63 CA GLY 6 -11.655 -10.009 18.620 1.00 -0.03 C ATOM 64 1HA GLY 6 -12.180 -9.204 19.134 1.00 0.07 H ATOM 65 2HA GLY 6 -11.765 -10.915 19.215 1.00 0.07 H ATOM 66 C GLY 6 -10.178 -9.657 18.592 1.00 0.60 C ATOM 67 O GLY 6 -9.646 -9.085 19.541 1.00 -0.57 O ATOM 68 N ARG 7 -9.512 -9.958 17.488 1.00 -0.35 N ATOM 69 H ARG 7 -10.029 -10.369 16.722 1.00 0.28 H ATOM 70 CA ARG 7 -8.079 -9.709 17.285 1.00 -0.26 C ATOM 71 HA ARG 7 -7.544 -9.814 18.231 1.00 0.16 H ATOM 72 C ARG 7 -7.899 -8.270 16.773 1.00 0.73 C ATOM 73 O ARG 7 -7.367 -8.020 15.694 1.00 -0.59 O ATOM 74 CB ARG 7 -7.570 -10.755 16.283 1.00 -0.00 C ATOM 75 1HB ARG 7 -7.979 -11.725 16.563 1.00 0.03 H ATOM 76 2HB ARG 7 -7.958 -10.505 15.301 1.00 0.03 H ATOM 77 CG ARG 7 -6.063 -10.892 16.192 1.00 0.04 C ATOM 78 1HG ARG 7 -5.624 -9.907 16.284 1.00 0.03 H ATOM 79 2HG ARG 7 -5.699 -11.523 17.003 1.00 0.03 H ATOM 80 CD ARG 7 -5.642 -11.458 14.850 1.00 0.05 C ATOM 81 1HD ARG 7 -5.987 -10.774 14.079 1.00 0.07 H ATOM 82 2HD ARG 7 -4.553 -11.494 14.812 1.00 0.07 H ATOM 83 NE ARG 7 -6.178 -12.797 14.573 1.00 -0.53 N ATOM 84 HE ARG 7 -6.471 -13.329 15.374 1.00 0.35 H ATOM 85 CZ ARG 7 -6.283 -13.359 13.376 1.00 0.81 C ATOM 86 NH1 ARG 7 -6.647 -14.609 13.308 1.00 -0.86 N ATOM 87 1HH1 ARG 7 -6.822 -15.130 14.149 1.00 0.32 H ATOM 88 2HH1 ARG 7 -6.744 -15.051 12.412 1.00 0.32 H ATOM 89 NH2 ARG 7 -6.058 -12.737 12.246 1.00 -0.86 N ATOM 90 1HH2 ARG 7 -5.855 -11.736 12.242 1.00 0.32 H ATOM 91 2HH2 ARG 7 -6.104 -13.220 11.370 1.00 0.32 H ATOM 92 N ALA 8 -8.513 -7.337 17.482 1.00 -0.42 N ATOM 93 H ALA 8 -8.906 -7.599 18.376 1.00 0.27 H ATOM 94 CA ALA 8 -8.733 -5.992 16.962 1.00 0.03 C ATOM 95 HA ALA 8 -9.274 -6.104 16.027 1.00 0.08 H ATOM 96 C ALA 8 -7.458 -5.192 16.649 1.00 0.60 C ATOM 97 O ALA 8 -7.094 -4.982 15.490 1.00 -0.57 O ATOM 98 CB ALA 8 -9.652 -5.217 17.923 1.00 -0.18 C ATOM 99 1HB ALA 8 -9.220 -5.167 18.922 1.00 0.06 H ATOM 100 2HB ALA 8 -9.812 -4.208 17.536 1.00 0.06 H ATOM 101 3HB ALA 8 -10.621 -5.718 17.974 1.00 0.06 H ATOM 102 N ALA 9 -6.802 -4.715 17.698 1.00 -0.42 N ATOM 103 H ALA 9 -7.137 -4.934 18.619 1.00 0.27 H ATOM 104 CA ALA 9 -5.639 -3.841 17.550 1.00 0.03 C ATOM 105 HA ALA 9 -5.866 -3.085 16.797 1.00 0.08 H ATOM 106 C ALA 9 -4.390 -4.596 17.088 1.00 0.60 C ATOM 107 O ALA 9 -3.498 -4.024 16.463 1.00 -0.57 O ATOM 108 CB ALA 9 -5.367 -3.134 18.887 1.00 -0.18 C ATOM 109 1HB ALA 9 -4.520 -2.457 18.768 1.00 0.06 H ATOM 110 2HB ALA 9 -6.243 -2.555 19.183 1.00 0.06 H ATOM 111 3HB ALA 9 -5.133 -3.867 19.659 1.00 0.06 H ATOM 112 N ARG 10 -4.332 -5.873 17.437 1.00 -0.35 N ATOM 113 H ARG 10 -5.106 -6.301 17.938 1.00 0.28 H ATOM 114 CA ARG 10 -3.249 -6.785 17.091 1.00 -0.26 C ATOM 115 HA ARG 10 -2.986 -6.695 16.038 1.00 0.16 H ATOM 116 C ARG 10 -3.910 -8.116 17.368 1.00 0.73 C ATOM 117 O ARG 10 -3.361 -9.171 17.012 1.00 -0.59 O ATOM 118 OXT ARG 10 -5.000 -8.047 17.986 1.00 -0.59 O ATOM 119 CB ARG 10 -2.007 -6.608 17.973 1.00 -0.00 C ATOM 120 1HB ARG 10 -1.233 -7.283 17.606 1.00 0.03 H ATOM 121 2HB ARG 10 -1.646 -5.585 17.866 1.00 0.03 H ATOM 122 CG ARG 10 -2.230 -6.897 19.452 1.00 0.04 C ATOM 123 1HG ARG 10 -2.992 -6.225 19.846 1.00 0.03 H ATOM 124 2HG ARG 10 -2.564 -7.927 19.575 1.00 0.03 H ATOM 125 CD ARG 10 -0.953 -6.709 20.240 1.00 0.05 C ATOM 126 1HD ARG 10 -0.162 -7.304 19.781 1.00 0.07 H ATOM 127 2HD ARG 10 -0.671 -5.656 20.213 1.00 0.07 H ATOM 128 NE ARG 10 -1.135 -7.137 21.635 1.00 -0.53 N ATOM 129 HE ARG 10 -2.053 -7.479 21.871 1.00 0.35 H ATOM 130 CZ ARG 10 -0.214 -7.126 22.587 1.00 0.81 C ATOM 131 NH1 ARG 10 -0.532 -7.575 23.769 1.00 -0.86 N ATOM 132 1HH1 ARG 10 -1.458 -7.928 23.943 1.00 0.32 H ATOM 133 2HH1 ARG 10 0.149 -7.577 24.507 1.00 0.32 H ATOM 134 NH2 ARG 10 1.009 -6.697 22.406 1.00 -0.86 N ATOM 135 1HH2 ARG 10 1.280 -6.353 21.500 1.00 0.32 H ATOM 136 2HH2 ARG 10 1.673 -6.714 23.160 1.00 0.32 H TER 137 ARG 10 END
SEQUENCE	DNGEAGRAAR
HELICITY	20.00	INSTAB. INDEX	-13.57	FLEXIBILITY	18.94
a HYD. MOM.	8.88	b HYD. MOM.	8.38	c HYD. MOM	2.63
a MEAN HYD. MOM.	0.89	b MEAN HYD. MOM.	0.84	c MEAN HYD. MOM.	0.26
CHARGE pH5	0.22	CHARGE pH7	0.00	CHARGE pH9	-0.17
Δ CHARGE pH5-pH9	0.39	ISOELECTRIC POINT	6.07	BOMAN INDEX	4.47
ΔG	16	CPP	-0,39	MLP	-7,04
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	Agaricales
FAMILY	Pleurotaceae	GENUS	Pleurotus	SPECIES	Pleurotus sajor-caju
DATE	2004
TITLE PAPER	A ribonuclease with antimicrobial, antimitogenic and antiproliferative activities from the edible mushroom Pleurotus sajor-caju