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ID	111	NAME	Beta-defensin 1_8   Blast NCBI-PROT
LENGTH	11	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\DNFLTGLGHRS.pdb REMARK YASARA Written on: Wed May 14 15:07:34 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 168 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 11 ASP ASN PHE LEU THR GLY LEU GLY HIS ARG SER ATOM 1 N ASP 1 -12.901 -15.432 18.553 1.00 -0.52 N ATOM 2 1H ASP 1 -13.574 -15.441 17.800 1.00 -0.52 H ATOM 3 2H ASP 1 -13.092 -16.201 19.185 1.00 -0.52 H ATOM 4 3H ASP 1 -12.965 -14.558 19.052 1.00 0.29 H ATOM 5 CA ASP 1 -11.525 -15.595 17.996 1.00 0.04 C ATOM 6 HA ASP 1 -10.813 -15.619 18.820 1.00 0.09 H ATOM 7 C ASP 1 -11.195 -14.439 17.082 1.00 0.54 C ATOM 8 O ASP 1 -12.000 -13.516 16.999 1.00 -0.58 O ATOM 9 CB ASP 1 -11.444 -16.918 17.242 1.00 -0.03 C ATOM 10 1HB ASP 1 -12.152 -16.893 16.413 1.00 -0.01 H ATOM 11 2HB ASP 1 -10.438 -17.057 16.846 1.00 -0.01 H ATOM 12 CG ASP 1 -11.783 -18.075 18.137 1.00 0.80 C ATOM 13 OD1 ASP 1 -11.725 -17.843 19.362 1.00 -0.55 O ATOM 14 OD2 ASP 1 -12.204 -19.129 17.654 1.00 -0.55 O ATOM 15 N ASN 2 -10.040 -14.483 16.424 1.00 -0.42 N ATOM 16 H ASN 2 -9.424 -15.268 16.590 1.00 0.27 H ATOM 17 CA ASN 2 -9.565 -13.484 15.452 1.00 0.01 C ATOM 18 HA ASN 2 -8.524 -13.731 15.232 1.00 0.10 H ATOM 19 C ASN 2 -9.550 -12.024 15.921 1.00 0.60 C ATOM 20 O ASN 2 -8.547 -11.548 16.442 1.00 -0.57 O ATOM 21 CB ASN 2 -10.329 -13.616 14.125 1.00 -0.20 C ATOM 22 1HB ASN 2 -10.310 -14.659 13.811 1.00 0.08 H ATOM 23 2HB ASN 2 -11.368 -13.317 14.250 1.00 0.08 H ATOM 24 CG ASN 2 -9.701 -12.790 13.034 1.00 0.71 C ATOM 25 OD1 ASN 2 -8.496 -12.703 12.958 1.00 -0.59 O ATOM 26 ND2 ASN 2 -10.494 -12.156 12.220 1.00 -0.92 N ATOM 27 1HD2 ASN 2 -10.073 -11.590 11.499 1.00 0.42 H ATOM 28 2HD2 ASN 2 -11.493 -12.230 12.298 1.00 0.42 H ATOM 29 N PHE 3 -10.679 -11.335 15.823 1.00 -0.42 N ATOM 30 H PHE 3 -11.495 -11.795 15.448 1.00 0.27 H ATOM 31 CA PHE 3 -10.815 -9.944 16.251 1.00 -0.00 C ATOM 32 HA PHE 3 -10.095 -9.339 15.714 1.00 0.10 H ATOM 33 C PHE 3 -10.563 -9.804 17.748 1.00 0.60 C ATOM 34 O PHE 3 -10.081 -8.778 18.225 1.00 -0.57 O ATOM 35 CB PHE 3 -12.223 -9.460 15.913 1.00 -0.03 C ATOM 36 1HB PHE 3 -12.938 -10.001 16.532 1.00 0.03 H ATOM 37 2HB PHE 3 -12.296 -8.398 16.149 1.00 0.03 H ATOM 38 CG PHE 3 -12.589 -9.672 14.471 1.00 0.01 C ATOM 39 CD1 PHE 3 -13.463 -10.715 14.103 1.00 -0.13 C ATOM 40 HD1 PHE 3 -13.898 -11.349 14.863 1.00 0.13 H ATOM 41 CD2 PHE 3 -12.050 -8.845 13.470 1.00 -0.13 C ATOM 42 HD2 PHE 3 -11.388 -8.033 13.738 1.00 0.13 H ATOM 43 CE1 PHE 3 -13.787 -10.942 12.743 1.00 -0.17 C ATOM 44 HE1 PHE 3 -14.468 -11.737 12.470 1.00 0.14 H ATOM 45 CE2 PHE 3 -12.361 -9.062 12.105 1.00 -0.17 C ATOM 46 HE2 PHE 3 -11.937 -8.420 11.345 1.00 0.14 H ATOM 47 CZ PHE 3 -13.233 -10.113 11.741 1.00 -0.11 C ATOM 48 HZ PHE 3 -13.484 -10.275 10.701 1.00 0.13 H ATOM 49 N LEU 4 -10.811 -10.904 18.448 1.00 -0.42 N ATOM 50 H LEU 4 -11.182 -11.700 17.947 1.00 0.27 H ATOM 51 CA LEU 4 -10.567 -11.057 19.884 1.00 -0.05 C ATOM 52 HA LEU 4 -11.216 -10.367 20.425 1.00 0.09 H ATOM 53 C LEU 4 -9.127 -10.762 20.315 1.00 0.60 C ATOM 54 O LEU 4 -8.889 -10.382 21.449 1.00 -0.57 O ATOM 55 CB LEU 4 -10.939 -12.496 20.268 1.00 -0.11 C ATOM 56 1HB LEU 4 -11.943 -12.682 19.889 1.00 0.05 H ATOM 57 2HB LEU 4 -10.257 -13.157 19.735 1.00 0.05 H ATOM 58 CG LEU 4 -10.920 -12.920 21.747 1.00 0.35 C ATOM 59 HG LEU 4 -9.912 -12.787 22.136 1.00 -0.04 H ATOM 60 CD1 LEU 4 -11.882 -12.099 22.602 1.00 -0.41 C ATOM 61 1HD1 LEU 4 -11.868 -12.470 23.629 1.00 0.10 H ATOM 62 2HD1 LEU 4 -11.562 -11.056 22.622 1.00 0.10 H ATOM 63 3HD1 LEU 4 -12.899 -12.162 22.214 1.00 0.10 H ATOM 64 CD2 LEU 4 -11.278 -14.403 21.857 1.00 -0.41 C ATOM 65 1HD2 LEU 4 -10.583 -15.006 21.272 1.00 0.10 H ATOM 66 2HD2 LEU 4 -11.191 -14.714 22.900 1.00 0.10 H ATOM 67 3HD2 LEU 4 -12.301 -14.582 21.528 1.00 0.10 H ATOM 68 N THR 5 -8.171 -10.842 19.400 1.00 -0.42 N ATOM 69 H THR 5 -8.401 -11.107 18.449 1.00 0.27 H ATOM 70 CA THR 5 -6.775 -10.504 19.701 1.00 -0.04 C ATOM 71 HA THR 5 -6.490 -10.974 20.643 1.00 0.10 H ATOM 72 C THR 5 -6.524 -8.997 19.836 1.00 0.60 C ATOM 73 O THR 5 -5.376 -8.561 19.944 1.00 -0.57 O ATOM 74 CB THR 5 -5.832 -11.008 18.584 1.00 0.37 C ATOM 75 HB THR 5 -4.806 -10.738 18.830 1.00 0.00 H ATOM 76 OG1 THR 5 -6.195 -10.400 17.342 1.00 -0.68 O ATOM 77 HG1 THR 5 -6.900 -10.921 16.932 1.00 0.41 H ATOM 78 CG2 THR 5 -5.912 -12.520 18.408 1.00 -0.24 C ATOM 79 1HG2 THR 5 -5.658 -13.015 19.347 1.00 0.06 H ATOM 80 2HG2 THR 5 -6.910 -12.822 18.096 1.00 0.06 H ATOM 81 3HG2 THR 5 -5.196 -12.824 17.645 1.00 0.06 H ATOM 82 N GLY 6 -7.581 -8.195 19.794 1.00 -0.42 N ATOM 83 H GLY 6 -8.510 -8.594 19.759 1.00 0.27 H ATOM 84 CA GLY 6 -7.436 -6.748 19.782 1.00 -0.03 C ATOM 85 1HA GLY 6 -8.369 -6.276 20.089 1.00 0.07 H ATOM 86 2HA GLY 6 -6.633 -6.449 20.456 1.00 0.07 H ATOM 87 C GLY 6 -7.093 -6.326 18.371 1.00 0.60 C ATOM 88 O GLY 6 -6.362 -5.360 18.153 1.00 -0.57 O ATOM 89 N LEU 7 -7.583 -7.098 17.408 1.00 -0.42 N ATOM 90 H LEU 7 -8.255 -7.816 17.648 1.00 0.27 H ATOM 91 CA LEU 7 -7.113 -7.004 16.027 1.00 -0.05 C ATOM 92 HA LEU 7 -6.052 -7.230 16.035 1.00 0.09 H ATOM 93 C LEU 7 -7.274 -5.618 15.425 1.00 0.60 C ATOM 94 O LEU 7 -6.352 -5.118 14.810 1.00 -0.57 O ATOM 95 CB LEU 7 -7.810 -8.036 15.141 1.00 -0.11 C ATOM 96 1HB LEU 7 -7.758 -9.000 15.643 1.00 0.05 H ATOM 97 2HB LEU 7 -8.857 -7.748 15.063 1.00 0.05 H ATOM 98 CG LEU 7 -7.267 -8.218 13.715 1.00 0.35 C ATOM 99 HG LEU 7 -7.313 -7.263 13.195 1.00 -0.04 H ATOM 100 CD1 LEU 7 -5.822 -8.717 13.694 1.00 -0.41 C ATOM 101 1HD1 LEU 7 -5.725 -9.636 14.273 1.00 0.10 H ATOM 102 2HD1 LEU 7 -5.514 -8.904 12.664 1.00 0.10 H ATOM 103 3HD1 LEU 7 -5.160 -7.952 14.100 1.00 0.10 H ATOM 104 CD2 LEU 7 -8.159 -9.205 12.972 1.00 -0.41 C ATOM 105 1HD2 LEU 7 -8.136 -10.177 13.466 1.00 0.10 H ATOM 106 2HD2 LEU 7 -9.179 -8.830 12.934 1.00 0.10 H ATOM 107 3HD2 LEU 7 -7.796 -9.320 11.950 1.00 0.10 H ATOM 108 N GLY 8 -8.390 -4.953 15.696 1.00 -0.42 N ATOM 109 H GLY 8 -9.095 -5.389 16.265 1.00 0.27 H ATOM 110 CA GLY 8 -8.629 -3.611 15.176 1.00 -0.03 C ATOM 111 1HA GLY 8 -8.353 -3.598 14.119 1.00 0.07 H ATOM 112 2HA GLY 8 -9.694 -3.391 15.246 1.00 0.07 H ATOM 113 C GLY 8 -7.867 -2.485 15.855 1.00 0.60 C ATOM 114 O GLY 8 -8.302 -1.329 15.855 1.00 -0.57 O ATOM 115 N HIS 9 -6.773 -2.825 16.523 1.00 -0.35 N ATOM 116 H HIS 9 -6.545 -3.811 16.592 1.00 0.28 H ATOM 117 CA HIS 9 -5.840 -1.858 17.103 1.00 -0.14 C ATOM 118 HA HIS 9 -5.927 -0.923 16.551 1.00 0.12 H ATOM 119 C HIS 9 -4.392 -2.313 16.943 1.00 0.73 C ATOM 120 O HIS 9 -3.488 -1.751 17.555 1.00 -0.59 O ATOM 121 CB HIS 9 -6.194 -1.604 18.573 1.00 -0.04 C ATOM 122 1HB HIS 9 -6.945 -2.333 18.877 1.00 0.08 H ATOM 123 2HB HIS 9 -5.313 -1.755 19.198 1.00 0.08 H ATOM 124 CG HIS 9 -6.729 -0.228 18.819 1.00 -0.00 C ATOM 125 ND1 HIS 9 -7.692 0.366 18.013 1.00 -0.15 N ATOM 126 HD1 HIS 9 -8.105 -0.078 17.183 1.00 0.14 H ATOM 127 CD2 HIS 9 -6.429 0.710 19.753 1.00 -0.11 C ATOM 128 HD2 HIS 9 -5.697 0.595 20.544 1.00 0.23 H ATOM 129 CE1 HIS 9 -7.949 1.584 18.463 1.00 -0.02 C ATOM 130 HE1 HIS 9 -8.658 2.278 18.022 1.00 0.27 H ATOM 131 NE2 HIS 9 -7.198 1.816 19.516 1.00 -0.17 N ATOM 132 HE2 HIS 9 -7.181 2.673 20.057 1.00 0.14 H ATOM 133 N ARG 10 -4.177 -3.332 16.120 1.00 -0.35 N ATOM 134 H ARG 10 -4.968 -3.761 15.643 1.00 0.28 H ATOM 135 CA ARG 10 -2.834 -3.851 15.819 1.00 -0.26 C ATOM 136 HA ARG 10 -2.094 -3.074 16.018 1.00 0.16 H ATOM 137 C ARG 10 -2.777 -4.188 14.333 1.00 0.73 C ATOM 138 O ARG 10 -1.876 -4.877 13.859 1.00 -0.59 O ATOM 139 CB ARG 10 -2.529 -5.076 16.694 1.00 -0.00 C ATOM 140 1HB ARG 10 -1.494 -5.379 16.535 1.00 0.03 H ATOM 141 2HB ARG 10 -2.644 -4.777 17.736 1.00 0.03 H ATOM 142 CG ARG 10 -3.441 -6.272 16.432 1.00 0.04 C ATOM 143 1HG ARG 10 -4.457 -5.912 16.345 1.00 0.03 H ATOM 144 2HG ARG 10 -3.160 -6.752 15.495 1.00 0.03 H ATOM 145 CD ARG 10 -3.411 -7.290 17.557 1.00 0.05 C ATOM 146 1HD ARG 10 -3.690 -6.790 18.486 1.00 0.07 H ATOM 147 2HD ARG 10 -4.151 -8.065 17.348 1.00 0.07 H ATOM 148 NE ARG 10 -2.092 -7.917 17.714 1.00 -0.53 N ATOM 149 HE ARG 10 -1.407 -7.686 17.014 1.00 0.35 H ATOM 150 CZ ARG 10 -1.738 -8.756 18.679 1.00 0.81 C ATOM 151 NH1 ARG 10 -0.526 -9.239 18.669 1.00 -0.86 N ATOM 152 1HH1 ARG 10 0.113 -8.982 17.937 1.00 0.32 H ATOM 153 2HH1 ARG 10 -0.235 -9.875 19.390 1.00 0.32 H ATOM 154 NH2 ARG 10 -2.529 -9.126 19.653 1.00 -0.86 N ATOM 155 1HH2 ARG 10 -3.488 -8.776 19.682 1.00 0.32 H ATOM 156 2HH2 ARG 10 -2.207 -9.744 20.372 1.00 0.32 H ATOM 157 N SER 11 -3.811 -3.722 13.654 1.00 -0.42 N ATOM 158 H SER 11 -4.486 -3.136 14.129 1.00 0.27 H ATOM 159 CA SER 11 -4.146 -3.915 12.246 1.00 -0.03 C ATOM 160 HA SER 11 -3.361 -3.558 11.581 1.00 0.08 H ATOM 161 C SER 11 -5.378 -3.015 12.176 1.00 0.60 C ATOM 162 O SER 11 -6.015 -2.901 11.119 1.00 -0.57 O ATOM 163 OXT SER 11 -5.693 -2.455 13.263 1.00 -0.57 O ATOM 164 CB SER 11 -4.552 -5.355 11.920 1.00 0.21 C ATOM 165 1HB SER 11 -5.361 -5.656 12.584 1.00 0.04 H ATOM 166 2HB SER 11 -4.911 -5.400 10.890 1.00 0.04 H ATOM 167 OG SER 11 -3.450 -6.231 12.082 1.00 -0.65 O ATOM 168 HG SER 11 -2.791 -5.774 12.630 1.00 0.43 H TER 169 SER 11 END
SEQUENCE	DNFLTGLGHRS
HELICITY	0.00	INSTAB. INDEX	27.65	FLEXIBILITY	17.36
a HYD. MOM.	31.92	b HYD. MOM.	14.11	c HYD. MOM	1.99
a MEAN HYD. MOM.	2.90	b MEAN HYD. MOM.	1.28	c MEAN HYD. MOM.	0.18
CHARGE pH5	0.98	CHARGE pH7	0.09	CHARGE pH9	-0.17
Δ CHARGE pH5-pH9	1.15	ISOELECTRIC POINT	6.74	BOMAN INDEX	2.38
ΔG	7	CPP	-0,28	MLP	-4,67
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	Chordata	CLASS	Mammalia	ORDER	Primates
FAMILY	Hylobatidae	GENUS	Hylobates	SPECIES	Hylobates lar
DATE	2002
TITLE PAPER	Beta-defensin 1 gene variability among non-human primates