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ID	260	NAME	Amythiamicin C/D   Blast NCBI-PROT
LENGTH	12	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\SCNCVCGVCCSC.pdb REMARK YASARA Written on: Wed May 14 15:38:56 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 144 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 12 SER CYS ASN CYS VAL CYS GLY VAL CYS CYS SER CYS ATOM 1 N SER 1 0.035 -6.144 17.463 1.00 -0.42 N ATOM 2 1H SER 1 0.912 -6.530 17.142 1.00 -0.42 H ATOM 3 2H SER 1 0.196 -5.555 18.267 1.00 -0.42 H ATOM 4 3H SER 1 -0.588 -6.897 17.723 1.00 0.27 H ATOM 5 CA SER 1 -0.585 -5.345 16.372 1.00 -0.03 C ATOM 6 HA SER 1 0.070 -4.511 16.124 1.00 0.08 H ATOM 7 C SER 1 -1.928 -4.811 16.829 1.00 0.60 C ATOM 8 O SER 1 -2.438 -5.295 17.824 1.00 -0.57 O ATOM 9 CB SER 1 -0.739 -6.241 15.148 1.00 0.21 C ATOM 10 1HB SER 1 -1.401 -7.071 15.391 1.00 0.04 H ATOM 11 2HB SER 1 -1.154 -5.669 14.318 1.00 0.04 H ATOM 12 OG SER 1 0.535 -6.748 14.799 1.00 -0.65 O ATOM 13 HG SER 1 0.456 -7.270 13.988 1.00 0.43 H ATOM 14 N CYS 2 -2.506 -3.813 16.170 1.00 -0.42 N ATOM 15 H CYS 2 -2.095 -3.426 15.331 1.00 0.27 H ATOM 16 CA CYS 2 -3.727 -3.183 16.683 1.00 0.02 C ATOM 17 HA CYS 2 -3.533 -2.851 17.705 1.00 0.11 H ATOM 18 C CYS 2 -4.946 -4.107 16.726 1.00 0.60 C ATOM 19 O CYS 2 -5.781 -4.020 17.618 1.00 -0.57 O ATOM 20 CB CYS 2 -4.034 -1.956 15.827 1.00 -0.12 C ATOM 21 1HB CYS 2 -4.386 -2.277 14.845 1.00 0.11 H ATOM 22 2HB CYS 2 -4.824 -1.373 16.307 1.00 0.11 H ATOM 23 SG CYS 2 -2.558 -0.932 15.610 1.00 -0.31 S ATOM 24 HG CYS 2 -3.165 0.105 15.015 1.00 0.19 H ATOM 25 N ASN 3 -4.997 -5.066 15.814 1.00 -0.42 N ATOM 26 H ASN 3 -4.266 -5.152 15.125 1.00 0.27 H ATOM 27 CA ASN 3 -6.082 -6.046 15.788 1.00 0.01 C ATOM 28 HA ASN 3 -7.033 -5.512 15.827 1.00 0.10 H ATOM 29 C ASN 3 -6.037 -7.013 16.968 1.00 0.60 C ATOM 30 O ASN 3 -6.973 -7.762 17.161 1.00 -0.57 O ATOM 31 CB ASN 3 -6.034 -6.879 14.505 1.00 -0.20 C ATOM 32 1HB ASN 3 -6.951 -7.466 14.439 1.00 0.08 H ATOM 33 2HB ASN 3 -5.982 -6.220 13.639 1.00 0.08 H ATOM 34 CG ASN 3 -4.863 -7.827 14.479 1.00 0.71 C ATOM 35 OD1 ASN 3 -3.718 -7.404 14.604 1.00 -0.59 O ATOM 36 ND2 ASN 3 -5.123 -9.096 14.346 1.00 -0.92 N ATOM 37 1HD2 ASN 3 -4.361 -9.749 14.298 1.00 0.42 H ATOM 38 2HD2 ASN 3 -6.081 -9.419 14.303 1.00 0.42 H ATOM 39 N CYS 4 -4.982 -7.003 17.772 1.00 -0.42 N ATOM 40 H CYS 4 -4.198 -6.392 17.588 1.00 0.27 H ATOM 41 CA CYS 4 -4.942 -7.856 18.955 1.00 0.02 C ATOM 42 HA CYS 4 -5.276 -8.857 18.677 1.00 0.11 H ATOM 43 C CYS 4 -5.879 -7.336 20.047 1.00 0.60 C ATOM 44 O CYS 4 -6.288 -8.096 20.914 1.00 -0.57 O ATOM 45 CB CYS 4 -3.511 -7.946 19.490 1.00 -0.12 C ATOM 46 1HB CYS 4 -3.193 -6.952 19.806 1.00 0.11 H ATOM 47 2HB CYS 4 -3.507 -8.601 20.364 1.00 0.11 H ATOM 48 SG CYS 4 -2.335 -8.581 18.256 1.00 -0.31 S ATOM 49 HG CYS 4 -2.891 -9.796 18.135 1.00 0.19 H ATOM 50 N VAL 5 -6.262 -6.065 19.984 1.00 -0.42 N ATOM 51 H VAL 5 -5.888 -5.452 19.270 1.00 0.27 H ATOM 52 CA VAL 5 -7.260 -5.524 20.914 1.00 -0.09 C ATOM 53 HA VAL 5 -7.010 -5.820 21.933 1.00 0.10 H ATOM 54 C VAL 5 -8.599 -6.147 20.528 1.00 0.60 C ATOM 55 O VAL 5 -9.381 -6.604 21.356 1.00 -0.57 O ATOM 56 CB VAL 5 -7.332 -3.971 20.829 1.00 0.30 C ATOM 57 HB VAL 5 -7.603 -3.692 19.811 1.00 -0.03 H ATOM 58 CG1 VAL 5 -8.386 -3.401 21.788 1.00 -0.32 C ATOM 59 1HG1 VAL 5 -8.397 -2.313 21.722 1.00 0.08 H ATOM 60 2HG1 VAL 5 -9.376 -3.772 21.520 1.00 0.08 H ATOM 61 3HG1 VAL 5 -8.162 -3.696 22.815 1.00 0.08 H ATOM 62 CG2 VAL 5 -5.958 -3.352 21.147 1.00 -0.32 C ATOM 63 1HG2 VAL 5 -5.223 -3.653 20.402 1.00 0.08 H ATOM 64 2HG2 VAL 5 -6.036 -2.264 21.128 1.00 0.08 H ATOM 65 3HG2 VAL 5 -5.623 -3.665 22.138 1.00 0.08 H ATOM 66 N CYS 6 -8.796 -6.285 19.227 1.00 -0.42 N ATOM 67 H CYS 6 -8.119 -5.906 18.587 1.00 0.27 H ATOM 68 CA CYS 6 -9.938 -6.994 18.664 1.00 0.02 C ATOM 69 HA CYS 6 -10.808 -6.835 19.303 1.00 0.11 H ATOM 70 C CYS 6 -9.652 -8.493 18.564 1.00 0.60 C ATOM 71 O CYS 6 -10.164 -9.163 17.672 1.00 -0.57 O ATOM 72 CB CYS 6 -10.223 -6.436 17.269 1.00 -0.12 C ATOM 73 1HB CYS 6 -9.418 -6.745 16.599 1.00 0.11 H ATOM 74 2HB CYS 6 -11.158 -6.864 16.901 1.00 0.11 H ATOM 75 SG CYS 6 -10.334 -4.630 17.263 1.00 -0.31 S ATOM 76 HG CYS 6 -10.713 -4.500 15.987 1.00 0.19 H ATOM 77 N GLY 7 -8.824 -9.028 19.451 1.00 -0.42 N ATOM 78 H GLY 7 -8.454 -8.458 20.206 1.00 0.27 H ATOM 79 CA GLY 7 -8.371 -10.406 19.332 1.00 -0.03 C ATOM 80 1HA GLY 7 -7.912 -10.533 18.351 1.00 0.07 H ATOM 81 2HA GLY 7 -7.615 -10.600 20.092 1.00 0.07 H ATOM 82 C GLY 7 -9.473 -11.435 19.462 1.00 0.60 C ATOM 83 O GLY 7 -9.391 -12.518 18.893 1.00 -0.57 O ATOM 84 N VAL 8 -10.554 -11.087 20.143 1.00 -0.42 N ATOM 85 H VAL 8 -10.593 -10.189 20.598 1.00 0.27 H ATOM 86 CA VAL 8 -11.710 -11.982 20.234 1.00 -0.09 C ATOM 87 HA VAL 8 -11.352 -12.976 20.509 1.00 0.10 H ATOM 88 C VAL 8 -12.414 -12.128 18.882 1.00 0.60 C ATOM 89 O VAL 8 -12.999 -13.161 18.602 1.00 -0.57 O ATOM 90 CB VAL 8 -12.712 -11.519 21.333 1.00 0.30 C ATOM 91 HB VAL 8 -13.560 -12.202 21.334 1.00 -0.03 H ATOM 92 CG1 VAL 8 -12.044 -11.584 22.717 1.00 -0.32 C ATOM 93 1HG1 VAL 8 -11.221 -10.873 22.788 1.00 0.08 H ATOM 94 2HG1 VAL 8 -12.781 -11.352 23.488 1.00 0.08 H ATOM 95 3HG1 VAL 8 -11.666 -12.592 22.895 1.00 0.08 H ATOM 96 CG2 VAL 8 -13.232 -10.085 21.091 1.00 -0.32 C ATOM 97 1HG2 VAL 8 -12.421 -9.359 21.112 1.00 0.08 H ATOM 98 2HG2 VAL 8 -13.745 -10.034 20.130 1.00 0.08 H ATOM 99 3HG2 VAL 8 -13.953 -9.827 21.868 1.00 0.08 H ATOM 100 N CYS 9 -12.263 -11.138 18.011 1.00 -0.42 N ATOM 101 H CYS 9 -11.710 -10.331 18.263 1.00 0.27 H ATOM 102 CA CYS 9 -12.830 -11.152 16.661 1.00 0.02 C ATOM 103 HA CYS 9 -13.673 -11.846 16.620 1.00 0.11 H ATOM 104 C CYS 9 -11.771 -11.614 15.662 1.00 0.60 C ATOM 105 O CYS 9 -11.871 -11.396 14.459 1.00 -0.57 O ATOM 106 CB CYS 9 -13.309 -9.748 16.289 1.00 -0.12 C ATOM 107 1HB CYS 9 -12.447 -9.082 16.261 1.00 0.11 H ATOM 108 2HB CYS 9 -13.745 -9.786 15.289 1.00 0.11 H ATOM 109 SG CYS 9 -14.528 -9.086 17.451 1.00 -0.31 S ATOM 110 HG CYS 9 -15.428 -10.062 17.272 1.00 0.19 H ATOM 111 N CYS 10 -10.707 -12.189 16.202 1.00 -0.42 N ATOM 112 H CYS 10 -10.606 -12.194 17.207 1.00 0.27 H ATOM 113 CA CYS 10 -9.686 -12.872 15.419 1.00 0.02 C ATOM 114 HA CYS 10 -9.944 -12.840 14.359 1.00 0.11 H ATOM 115 C CYS 10 -9.661 -14.327 15.888 1.00 0.60 C ATOM 116 O CYS 10 -8.761 -15.084 15.539 1.00 -0.57 O ATOM 117 CB CYS 10 -8.317 -12.218 15.638 1.00 -0.12 C ATOM 118 1HB CYS 10 -8.055 -12.316 16.691 1.00 0.11 H ATOM 119 2HB CYS 10 -7.577 -12.768 15.055 1.00 0.11 H ATOM 120 SG CYS 10 -8.250 -10.460 15.182 1.00 -0.31 S ATOM 121 HG CYS 10 -9.222 -10.051 16.017 1.00 0.19 H ATOM 122 N SER 11 -10.624 -14.674 16.735 1.00 -0.42 N ATOM 123 H SER 11 -11.330 -13.995 16.980 1.00 0.27 H ATOM 124 CA SER 11 -10.722 -16.006 17.339 1.00 -0.03 C ATOM 125 HA SER 11 -9.965 -16.664 16.912 1.00 0.08 H ATOM 126 C SER 11 -12.097 -16.629 17.113 1.00 0.60 C ATOM 127 O SER 11 -12.303 -17.816 17.364 1.00 -0.57 O ATOM 128 CB SER 11 -10.495 -15.908 18.848 1.00 0.21 C ATOM 129 1HB SER 11 -11.295 -15.312 19.289 1.00 0.04 H ATOM 130 2HB SER 11 -10.523 -16.909 19.279 1.00 0.04 H ATOM 131 OG SER 11 -9.247 -15.302 19.147 1.00 -0.65 O ATOM 132 HG SER 11 -9.288 -14.368 18.893 1.00 0.43 H ATOM 133 N CYS 12 -13.026 -15.796 16.668 1.00 -0.42 N ATOM 134 H CYS 12 -12.783 -14.843 16.426 1.00 0.27 H ATOM 135 CA CYS 12 -14.427 -16.104 16.414 1.00 0.02 C ATOM 136 HA CYS 12 -14.557 -17.060 15.911 1.00 0.11 H ATOM 137 C CYS 12 -14.774 -14.952 15.480 1.00 0.60 C ATOM 138 O CYS 12 -15.865 -14.923 14.881 1.00 -0.57 O ATOM 139 OXT CYS 12 -13.895 -14.056 15.409 1.00 -0.57 O ATOM 140 CB CYS 12 -15.275 -15.999 17.688 1.00 -0.12 C ATOM 141 1HB CYS 12 -15.020 -15.062 18.186 1.00 0.11 H ATOM 142 2HB CYS 12 -16.324 -15.948 17.392 1.00 0.11 H ATOM 143 SG CYS 12 -15.058 -17.373 18.852 1.00 -0.31 S ATOM 144 HG CYS 12 -13.842 -17.727 18.401 1.00 0.19 H TER 145 CYS 12 END
SEQUENCE	SCNCVCGVCCSC
HELICITY	0.00	INSTAB. INDEX	54.82	FLEXIBILITY	19.58
a HYD. MOM.	11.77	b HYD. MOM.	12.53	c HYD. MOM	1.27
a MEAN HYD. MOM.	0.98	b MEAN HYD. MOM.	1.04	c MEAN HYD. MOM.	0.11
CHARGE pH5	0.00	CHARGE pH7	-0.27	CHARGE pH9	-5.11
Δ CHARGE pH5-pH9	5.11	ISOELECTRIC POINT	5.23	BOMAN INDEX	-0.27
ΔG	2	CPP	-0,51	MLP	-4,56
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	Actinobacteria	CLASS	Actinobacteridae	ORDER	Actinomycetales
FAMILY	Pseudonocardiaceae	GENUS	Amycolatopsis	SPECIES	Amycolatopsis sp. MI481-42F4
DATE	1994
TITLE PAPER	Novel antibiotics, amythiamicins. I. Taxonomy, fermentation, isolation, physico-chemical properties, and antimicrobial activity