==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 10-JUL-12 4G13 . COMPND 2 MOLECULE: SAMAROSPORIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: SAMAROSPORA ROSTRUP; . AUTHOR R.GESSMANN,D.AXFORD,K.PETRATOS . 15 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 80.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A F >> 0 0 215 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 -5.7 14.0 2.5 28.2 2 2 A X H >> + 0 0 86 1,-0.3 4,-2.7 2,-0.2 3,-0.5 0.909 360.0 57.5 -52.1 -46.6 10.6 0.9 28.4 3 3 A X H 3> S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.844 95.7 64.5 -55.2 -37.9 9.0 4.3 28.3 4 4 A X H <> S+ 0 0 87 -3,-0.8 4,-1.1 1,-0.2 -1,-0.2 0.941 113.8 31.4 -53.3 -49.8 10.6 5.1 24.9 5 5 A V H < S+ 0 0 60 -4,-1.1 3,-2.4 -5,-0.4 4,-0.4 0.805 95.5 83.3 -66.5 -39.2 5.6 5.7 20.9 9 9 A X H >< S+ 0 0 52 -4,-2.4 3,-1.8 1,-0.3 4,-0.4 0.789 80.9 56.3 -53.9 -44.0 3.8 2.5 20.5 10 10 A X T 3< S+ 0 0 108 -4,-0.6 -1,-0.3 1,-0.3 3,-0.3 0.686 105.2 55.1 -63.7 -16.1 0.2 3.7 19.9 11 11 A Q T X S+ 0 0 122 -3,-2.4 3,-2.2 1,-0.2 -1,-0.3 0.574 79.7 94.8 -87.2 -10.9 1.3 5.8 17.0 12 12 A X G X S+ 0 0 73 -3,-1.8 3,-2.3 -4,-0.4 -1,-0.2 0.836 73.5 64.4 -53.0 -39.7 2.9 2.8 15.1 13 13 A X G 3 S+ 0 0 118 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.680 74.8 87.0 -67.5 -10.7 -0.2 2.1 13.0 14 14 A X G < 0 0 116 -3,-2.2 -1,-0.3 -4,-0.0 -2,-0.2 0.744 360.0 360.0 -53.1 -24.6 0.2 5.5 11.3 15 15 A X < 0 0 218 -3,-2.3 0, 0.0 -4,-0.2 0, 0.0 -0.775 360.0 360.0 -65.1 360.0 2.4 3.3 9.1