==== 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 4G14 . 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) . 1603.0 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 0 221 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 -11.7 14.1 2.6 28.1 2 2 A X H >> + 0 0 85 1,-0.2 4,-2.5 2,-0.2 3,-0.8 0.875 360.0 59.0 -51.5 -42.7 10.6 1.0 28.4 3 3 A X H 3> S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.837 93.7 64.6 -53.2 -39.1 9.0 4.4 28.2 4 4 A X H <> S+ 0 0 83 -3,-1.0 4,-1.0 1,-0.2 -1,-0.2 0.899 112.6 33.8 -55.4 -46.6 10.5 5.1 24.9 5 5 A V H < S+ 0 0 60 -4,-1.0 3,-2.2 -5,-0.4 4,-0.5 0.789 95.3 85.9 -67.6 -37.6 5.5 5.7 20.9 9 9 A X H >< S+ 0 0 55 -4,-2.3 3,-1.6 1,-0.3 4,-0.3 0.775 81.5 54.3 -52.0 -47.2 3.7 2.4 20.5 10 10 A X T 3< S+ 0 0 109 -4,-0.5 3,-0.3 1,-0.3 -1,-0.3 0.681 105.2 56.2 -65.0 -13.2 0.1 3.7 19.9 11 11 A Q T X S+ 0 0 123 -3,-2.2 3,-2.2 1,-0.2 -1,-0.3 0.607 78.7 95.0 -86.8 -10.5 1.2 5.8 17.0 12 12 A X G X S+ 0 0 73 -3,-1.6 3,-2.2 -4,-0.5 -1,-0.2 0.832 72.9 65.3 -53.5 -40.7 2.8 2.8 15.1 13 13 A X G 3 S+ 0 0 119 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.701 75.0 87.4 -67.4 -10.2 -0.3 2.2 12.9 14 14 A X G < 0 0 117 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.742 360.0 360.0 -50.2 -28.0 0.2 5.6 11.3 15 15 A X < 0 0 219 -3,-2.2 0, 0.0 -4,-0.2 0, 0.0 -0.788 360.0 360.0 -65.6 360.0 2.4 3.4 9.1