==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 24-JAN-03 1OB6 . COMPND 2 MOLECULE: CEPHAIBOL B; . SOURCE 2 ORGANISM_SCIENTIFIC: ACREMONIUM TUBAKII; . AUTHOR G.BUNKOCZI,M.SCHIELL,L.VERTESY,G.M.SHELDRICK . 32 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 65.6 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 . 10 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 34.4 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 1 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 0 194 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -36.5 11.7 8.8 12.9 2 2 A X H > + 0 0 95 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.952 360.0 45.2 -56.0 -50.7 9.0 10.3 10.6 3 3 A X H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.916 111.9 53.3 -58.4 -46.9 7.5 6.8 10.0 4 4 A X H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.951 110.6 45.7 -53.6 -55.7 7.7 6.0 13.7 5 5 A X H X S+ 0 0 65 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.921 114.2 49.5 -53.5 -49.4 5.8 9.2 14.7 6 6 A G H X S+ 0 0 42 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.858 113.4 42.9 -66.8 -36.8 3.2 8.7 12.0 7 7 A L H < S+ 0 0 123 -4,-2.4 -1,-0.2 -5,-0.2 3,-0.2 0.850 116.7 46.6 -77.8 -36.6 2.4 5.1 12.8 8 8 A X H >< S+ 0 0 82 -4,-2.4 3,-2.2 -5,-0.3 4,-0.3 0.863 96.5 77.1 -65.1 -41.4 2.3 5.5 16.6 9 9 A X H >< S+ 0 0 63 -4,-2.0 3,-2.0 1,-0.3 4,-0.2 0.811 85.3 55.3 -53.5 -46.6 0.2 8.7 16.6 10 10 A X T 3< S+ 0 0 112 -4,-0.6 3,-0.4 1,-0.3 -1,-0.3 0.664 102.4 60.0 -66.1 -12.0 -3.3 7.2 16.0 11 11 A Q T X + 0 0 118 -3,-2.2 3,-2.5 -4,-0.2 -1,-0.3 0.473 69.5 103.5 -93.6 3.8 -3.0 4.9 19.0 12 12 A X T < S+ 0 0 91 -3,-2.0 -1,-0.2 1,-0.3 4,-0.2 0.857 78.1 58.0 -56.2 -29.2 -2.5 7.7 21.6 13 13 A X T > S+ 0 0 94 -3,-0.4 3,-3.2 -4,-0.2 -1,-0.3 0.634 71.9 107.6 -69.9 -11.6 -6.2 7.2 22.6 14 14 A X T < S+ 0 0 94 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.784 86.6 34.9 -55.1 -32.3 -5.8 3.6 23.6 15 15 A P T 3 0 0 55 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.571 360.0 360.0 -91.5 -0.9 -5.9 4.1 27.3 16 16 A X < 0 0 175 -3,-3.2 3,-2.8 -4,-0.2 4,-0.4 0.567 360.0 360.0-101.8 360.0 -8.5 7.0 27.3 17 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 18 1 B F >> 0 0 176 0, 0.0 3,-1.1 0, 0.0 4,-1.0 0.000 360.0 360.0 360.0 -18.4 -10.4 3.0 30.7 19 2 B X H 3> + 0 0 76 -3,-2.8 4,-2.3 1,-0.3 3,-0.3 0.852 360.0 64.7 -53.7 -40.9 -13.5 4.9 29.3 20 3 B X H 3> S+ 0 0 83 -4,-0.4 4,-2.5 1,-0.2 5,-0.3 0.840 96.5 57.1 -49.6 -44.7 -15.1 1.4 28.6 21 4 B X H <> S+ 0 0 67 -3,-1.1 4,-2.3 1,-0.2 5,-0.2 0.958 109.1 43.5 -54.0 -55.3 -15.2 0.7 32.3 22 5 B X H X S+ 0 0 95 -4,-1.0 4,-2.0 -3,-0.3 -2,-0.2 0.919 115.7 48.8 -57.5 -48.0 -17.2 3.8 33.1 23 6 B G H < S+ 0 0 44 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.850 113.8 43.7 -69.1 -33.9 -19.6 3.3 30.2 24 7 B L H < S+ 0 0 127 -4,-2.5 -1,-0.2 -5,-0.2 3,-0.2 0.842 118.1 44.3 -77.7 -37.2 -20.3 -0.3 30.9 25 8 B X H >< S+ 0 0 78 -4,-2.3 3,-2.3 -5,-0.3 4,-0.3 0.832 95.5 81.5 -67.0 -38.6 -20.8 0.1 34.6 26 9 B X G >< S+ 0 0 60 -4,-2.0 3,-2.0 1,-0.3 4,-0.3 0.802 83.2 54.5 -52.9 -46.1 -22.9 3.3 34.4 27 10 B X G 3 S+ 0 0 113 -4,-0.5 3,-0.3 1,-0.3 -1,-0.3 0.678 105.7 56.4 -66.3 -12.0 -26.4 1.8 33.6 28 11 B Q G X S+ 0 0 120 -3,-2.3 3,-2.4 1,-0.2 -1,-0.3 0.438 74.0 99.7 -93.9 -3.1 -26.1 -0.4 36.8 29 12 B X T < S+ 0 0 84 -3,-2.0 4,-0.2 -4,-0.3 -1,-0.2 0.851 79.6 58.0 -51.2 -35.7 -25.5 2.6 39.2 30 13 B X T > S+ 0 0 95 -3,-0.3 3,-1.8 -4,-0.3 -1,-0.3 0.631 75.9 104.4 -68.7 -12.4 -29.2 2.4 40.1 31 14 B X T < S+ 0 0 94 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.813 84.6 34.9 -48.5 -51.1 -29.0 -1.2 41.3 32 15 B P T 3 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.656 360.0 360.0 -77.9 -12.7 -29.1 -0.7 45.1 33 16 B X < 0 0 211 -3,-1.8 -2,-0.2 -4,-0.2 -3,-0.1 0.497 360.0 360.0 -92.4 360.0 -31.4 2.3 44.9