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ID	88	NAME	Caerin-1.4.1   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\GLLSSLSSVA.pdb REMARK YASARA Written on: Wed May 14 15:00:39 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 137 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 10 GLY LEU LEU SER SER LEU SER SER VAL ALA ATOM 1 N GLY 1 -2.760 -3.106 18.913 1.00 -0.42 N ATOM 2 1H GLY 1 -2.064 -2.441 19.217 1.00 -0.42 H ATOM 3 2H GLY 1 -3.301 -3.418 19.708 1.00 -0.42 H ATOM 4 3H GLY 1 -2.304 -3.906 18.495 1.00 0.27 H ATOM 5 CA GLY 1 -3.665 -2.471 17.916 1.00 -0.03 C ATOM 6 1HA GLY 1 -4.163 -1.619 18.376 1.00 0.07 H ATOM 7 2HA GLY 1 -3.082 -2.136 17.060 1.00 0.07 H ATOM 8 C GLY 1 -4.703 -3.458 17.459 1.00 0.60 C ATOM 9 O GLY 1 -4.687 -4.541 18.007 1.00 -0.57 O ATOM 10 N LEU 2 -5.563 -3.162 16.490 1.00 -0.42 N ATOM 11 H LEU 2 -5.554 -2.258 16.036 1.00 0.27 H ATOM 12 CA LEU 2 -6.593 -4.127 16.071 1.00 -0.05 C ATOM 13 HA LEU 2 -7.186 -4.379 16.951 1.00 0.09 H ATOM 14 C LEU 2 -6.021 -5.445 15.539 1.00 0.60 C ATOM 15 O LEU 2 -6.562 -6.512 15.779 1.00 -0.57 O ATOM 16 CB LEU 2 -7.548 -3.507 15.035 1.00 -0.11 C ATOM 17 1HB LEU 2 -8.428 -4.145 15.028 1.00 0.05 H ATOM 18 2HB LEU 2 -7.873 -2.542 15.421 1.00 0.05 H ATOM 19 CG LEU 2 -7.154 -3.314 13.557 1.00 0.35 C ATOM 20 HG LEU 2 -6.747 -4.249 13.180 1.00 -0.04 H ATOM 21 CD1 LEU 2 -8.398 -2.988 12.745 1.00 -0.41 C ATOM 22 1HD1 LEU 2 -8.868 -2.069 13.099 1.00 0.10 H ATOM 23 2HD1 LEU 2 -8.136 -2.880 11.692 1.00 0.10 H ATOM 24 3HD1 LEU 2 -9.112 -3.813 12.823 1.00 0.10 H ATOM 25 CD2 LEU 2 -6.106 -2.212 13.335 1.00 -0.41 C ATOM 26 1HD2 LEU 2 -5.917 -2.113 12.263 1.00 0.10 H ATOM 27 2HD2 LEU 2 -6.475 -1.259 13.715 1.00 0.10 H ATOM 28 3HD2 LEU 2 -5.171 -2.477 13.816 1.00 0.10 H ATOM 29 N LEU 3 -4.854 -5.369 14.913 1.00 -0.42 N ATOM 30 H LEU 3 -4.438 -4.470 14.760 1.00 0.27 H ATOM 31 CA LEU 3 -4.176 -6.545 14.369 1.00 -0.05 C ATOM 32 HA LEU 3 -4.905 -7.136 13.819 1.00 0.09 H ATOM 33 C LEU 3 -3.562 -7.439 15.448 1.00 0.60 C ATOM 34 O LEU 3 -3.066 -8.517 15.167 1.00 -0.57 O ATOM 35 CB LEU 3 -3.070 -6.101 13.403 1.00 -0.11 C ATOM 36 1HB LEU 3 -2.301 -5.603 13.992 1.00 0.05 H ATOM 37 2HB LEU 3 -2.624 -7.001 12.977 1.00 0.05 H ATOM 38 CG LEU 3 -3.440 -5.166 12.239 1.00 0.35 C ATOM 39 HG LEU 3 -3.847 -4.246 12.656 1.00 -0.04 H ATOM 40 CD1 LEU 3 -2.177 -4.805 11.464 1.00 -0.41 C ATOM 41 1HD1 LEU 3 -1.741 -5.702 11.017 1.00 0.10 H ATOM 42 2HD1 LEU 3 -2.422 -4.100 10.668 1.00 0.10 H ATOM 43 3HD1 LEU 3 -1.445 -4.343 12.126 1.00 0.10 H ATOM 44 CD2 LEU 3 -4.474 -5.748 11.286 1.00 -0.41 C ATOM 45 1HD2 LEU 3 -5.423 -5.905 11.804 1.00 0.10 H ATOM 46 2HD2 LEU 3 -4.656 -5.059 10.460 1.00 0.10 H ATOM 47 3HD2 LEU 3 -4.129 -6.701 10.880 1.00 0.10 H ATOM 48 N SER 4 -3.610 -6.991 16.694 1.00 -0.42 N ATOM 49 H SER 4 -4.079 -6.117 16.887 1.00 0.27 H ATOM 50 CA SER 4 -3.076 -7.730 17.838 1.00 -0.03 C ATOM 51 HA SER 4 -2.366 -8.485 17.498 1.00 0.08 H ATOM 52 C SER 4 -4.236 -8.407 18.561 1.00 0.60 C ATOM 53 O SER 4 -4.214 -8.607 19.771 1.00 -0.57 O ATOM 54 CB SER 4 -2.384 -6.760 18.794 1.00 0.21 C ATOM 55 1HB SER 4 -3.146 -6.200 19.336 1.00 0.04 H ATOM 56 2HB SER 4 -1.779 -7.319 19.510 1.00 0.04 H ATOM 57 OG SER 4 -1.574 -5.839 18.071 1.00 -0.65 O ATOM 58 HG SER 4 -0.901 -6.351 17.604 1.00 0.43 H ATOM 59 N SER 5 -5.310 -8.630 17.823 1.00 -0.42 N ATOM 60 H SER 5 -5.281 -8.445 16.827 1.00 0.27 H ATOM 61 CA SER 5 -6.574 -9.130 18.346 1.00 -0.03 C ATOM 62 HA SER 5 -6.418 -9.798 19.194 1.00 0.08 H ATOM 63 C SER 5 -7.185 -9.882 17.174 1.00 0.60 C ATOM 64 O SER 5 -6.565 -9.940 16.109 1.00 -0.57 O ATOM 65 CB SER 5 -7.459 -7.951 18.758 1.00 0.21 C ATOM 66 1HB SER 5 -7.683 -7.340 17.885 1.00 0.04 H ATOM 67 2HB SER 5 -8.392 -8.324 19.182 1.00 0.04 H ATOM 68 OG SER 5 -6.783 -7.160 19.721 1.00 -0.65 O ATOM 69 HG SER 5 -6.007 -7.653 20.027 1.00 0.43 H ATOM 70 N LEU 6 -8.389 -10.419 17.332 1.00 -0.42 N ATOM 71 H LEU 6 -8.863 -10.342 18.218 1.00 0.27 H ATOM 72 CA LEU 6 -9.071 -11.118 16.237 1.00 -0.05 C ATOM 73 HA LEU 6 -8.424 -11.936 15.919 1.00 0.09 H ATOM 74 C LEU 6 -9.307 -10.233 15.012 1.00 0.60 C ATOM 75 O LEU 6 -9.388 -10.734 13.900 1.00 -0.57 O ATOM 76 CB LEU 6 -10.401 -11.732 16.702 1.00 -0.11 C ATOM 77 1HB LEU 6 -10.638 -12.513 15.979 1.00 0.05 H ATOM 78 2HB LEU 6 -10.224 -12.228 17.656 1.00 0.05 H ATOM 79 CG LEU 6 -11.675 -10.874 16.838 1.00 0.35 C ATOM 80 HG LEU 6 -11.853 -10.376 15.892 1.00 -0.04 H ATOM 81 CD1 LEU 6 -12.862 -11.796 17.111 1.00 -0.41 C ATOM 82 1HD1 LEU 6 -13.777 -11.202 17.141 1.00 0.10 H ATOM 83 2HD1 LEU 6 -12.958 -12.519 16.300 1.00 0.10 H ATOM 84 3HD1 LEU 6 -12.736 -12.319 18.059 1.00 0.10 H ATOM 85 CD2 LEU 6 -11.608 -9.809 17.939 1.00 -0.41 C ATOM 86 1HD2 LEU 6 -10.850 -9.069 17.691 1.00 0.10 H ATOM 87 2HD2 LEU 6 -12.566 -9.286 17.987 1.00 0.10 H ATOM 88 3HD2 LEU 6 -11.395 -10.264 18.905 1.00 0.10 H ATOM 89 N SER 7 -9.298 -8.922 15.205 1.00 -0.42 N ATOM 90 H SER 7 -9.248 -8.563 16.140 1.00 0.27 H ATOM 91 CA SER 7 -9.390 -7.933 14.132 1.00 -0.03 C ATOM 92 HA SER 7 -10.133 -8.280 13.426 1.00 0.08 H ATOM 93 C SER 7 -8.101 -7.721 13.341 1.00 0.60 C ATOM 94 O SER 7 -7.899 -6.714 12.670 1.00 -0.57 O ATOM 95 CB SER 7 -9.905 -6.636 14.733 1.00 0.21 C ATOM 96 1HB SER 7 -9.124 -6.183 15.339 1.00 0.04 H ATOM 97 2HB SER 7 -10.205 -5.952 13.938 1.00 0.04 H ATOM 98 OG SER 7 -11.015 -6.946 15.562 1.00 -0.65 O ATOM 99 HG SER 7 -11.669 -7.431 15.013 1.00 0.43 H ATOM 100 N SER 8 -7.245 -8.729 13.388 1.00 -0.42 N ATOM 101 H SER 8 -7.291 -9.379 14.159 1.00 0.27 H ATOM 102 CA SER 8 -6.331 -9.028 12.297 1.00 -0.03 C ATOM 103 HA SER 8 -5.788 -8.133 12.007 1.00 0.08 H ATOM 104 C SER 8 -7.104 -9.534 11.078 1.00 0.60 C ATOM 105 O SER 8 -6.684 -9.300 9.948 1.00 -0.57 O ATOM 106 CB SER 8 -5.344 -10.096 12.764 1.00 0.21 C ATOM 107 1HB SER 8 -4.863 -10.552 11.898 1.00 0.04 H ATOM 108 2HB SER 8 -4.584 -9.628 13.389 1.00 0.04 H ATOM 109 OG SER 8 -6.014 -11.083 13.534 1.00 -0.65 O ATOM 110 HG SER 8 -5.991 -10.812 14.464 1.00 0.43 H ATOM 111 N VAL 9 -8.215 -10.229 11.309 1.00 -0.42 N ATOM 112 H VAL 9 -8.475 -10.435 12.269 1.00 0.27 H ATOM 113 CA VAL 9 -9.065 -10.767 10.236 1.00 -0.09 C ATOM 114 HA VAL 9 -8.757 -10.311 9.296 1.00 0.10 H ATOM 115 C VAL 9 -10.568 -10.484 10.384 1.00 0.60 C ATOM 116 O VAL 9 -11.329 -10.721 9.443 1.00 -0.57 O ATOM 117 CB VAL 9 -8.878 -12.313 10.091 1.00 0.30 C ATOM 118 HB VAL 9 -9.517 -12.663 9.282 1.00 -0.03 H ATOM 119 CG1 VAL 9 -7.424 -12.664 9.723 1.00 -0.32 C ATOM 120 1HG1 VAL 9 -6.752 -12.417 10.546 1.00 0.08 H ATOM 121 2HG1 VAL 9 -7.348 -13.727 9.501 1.00 0.08 H ATOM 122 3HG1 VAL 9 -7.126 -12.094 8.841 1.00 0.08 H ATOM 123 CG2 VAL 9 -9.264 -13.069 11.380 1.00 -0.32 C ATOM 124 1HG2 VAL 9 -8.613 -12.777 12.205 1.00 0.08 H ATOM 125 2HG2 VAL 9 -10.298 -12.846 11.645 1.00 0.08 H ATOM 126 3HG2 VAL 9 -9.173 -14.141 11.215 1.00 0.08 H ATOM 127 N ALA 10 -10.995 -10.016 11.552 1.00 -0.42 N ATOM 128 H ALA 10 -10.332 -9.864 12.296 1.00 0.27 H ATOM 129 CA ALA 10 -12.399 -9.720 11.856 1.00 0.03 C ATOM 130 HA ALA 10 -12.911 -9.443 10.934 1.00 0.08 H ATOM 131 C ALA 10 -12.503 -8.529 12.822 1.00 0.60 C ATOM 132 O ALA 10 -12.598 -8.756 14.049 1.00 -0.57 O ATOM 133 OXT ALA 10 -12.416 -7.385 12.350 1.00 -0.57 O ATOM 134 CB ALA 10 -13.067 -10.977 12.454 1.00 -0.18 C ATOM 135 1HB ALA 10 -12.532 -11.281 13.354 1.00 0.06 H ATOM 136 2HB ALA 10 -14.099 -10.744 12.714 1.00 0.06 H ATOM 137 3HB ALA 10 -13.047 -11.783 11.722 1.00 0.06 H TER 138 ALA 10 END
SEQUENCE	GLLSSLSSVA
HELICITY	0.00	INSTAB. INDEX	47.52	FLEXIBILITY	19.00
a HYD. MOM.	34.60	b HYD. MOM.	14.24	c HYD. MOM	2.14
a MEAN HYD. MOM.	3.46	b MEAN HYD. MOM.	1.42	c MEAN HYD. MOM.	0.21
CHARGE pH5	0.00	CHARGE pH7	0.00	CHARGE pH9	-0.17
Δ CHARGE pH5-pH9	0.17	ISOELECTRIC POINT	5.52	BOMAN INDEX	-0.80
ΔG	-0,72	CPP	-0,46	MLP	-3,21
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	Amphibia	ORDER	Anura
FAMILY	Hylidae	GENUS	Litoria	SPECIES	Litoria caerulea
DATE	1993
TITLE PAPER	Peptides from Australian frogs. The structures of the caerins from Litoria caerula