==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 11-NOV-08 2KAM . COMPND 2 MOLECULE: DELTA-HEMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR N.LOUREIRO-FERREIRA,J.RODRIGUES,R.M.M.BRITO . 26 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 80.8 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 . 1 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 76.9 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 X > 0 0 215 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 30.1 12.5 12.2 10.9 2 2 A A H > + 0 0 70 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.945 360.0 39.2 -59.2 -48.7 13.9 14.5 8.2 3 3 A Q H > S+ 0 0 153 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.966 119.6 45.5 -64.7 -54.3 17.4 13.1 8.7 4 4 A D H > S+ 0 0 88 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.904 114.1 49.1 -56.8 -44.8 16.3 9.5 9.2 5 5 A I H X S+ 0 0 99 -4,-3.6 4,-1.6 2,-0.2 -1,-0.2 0.930 116.0 42.9 -62.7 -43.7 13.9 9.7 6.2 6 6 A I H X S+ 0 0 100 -4,-2.3 4,-1.4 -5,-0.3 -2,-0.2 0.847 115.6 50.5 -69.3 -33.4 16.6 11.1 4.1 7 7 A S H X S+ 0 0 76 -4,-3.2 4,-2.4 -5,-0.2 -2,-0.2 0.845 104.7 58.6 -71.2 -35.4 19.0 8.6 5.5 8 8 A T H X S+ 0 0 73 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.918 104.7 48.3 -61.7 -46.9 16.6 5.7 4.8 9 9 A I H X S+ 0 0 104 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.957 115.3 43.9 -60.0 -51.3 16.4 6.4 1.0 10 10 A G H X S+ 0 0 19 -4,-1.4 4,-2.7 1,-0.2 5,-0.3 0.867 107.9 60.1 -62.3 -35.2 20.2 6.6 0.7 11 11 A D H X S+ 0 0 88 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.946 106.3 47.3 -57.1 -45.9 20.5 3.5 2.9 12 12 A L H X S+ 0 0 108 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.867 107.8 56.4 -62.2 -38.3 18.5 1.7 0.3 13 13 A V H X S+ 0 0 83 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.949 114.1 38.6 -59.9 -47.6 20.7 3.1 -2.4 14 14 A K H X S+ 0 0 132 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.918 113.2 55.6 -67.9 -44.0 23.8 1.6 -0.7 15 15 A W H X S+ 0 0 148 -4,-3.3 4,-1.8 -5,-0.3 -1,-0.2 0.836 103.0 57.8 -57.8 -33.0 22.0 -1.5 0.3 16 16 A I H X S+ 0 0 94 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.937 108.0 45.0 -63.9 -45.3 21.1 -2.0 -3.4 17 17 A I H X S+ 0 0 109 -4,-1.3 4,-3.1 1,-0.2 5,-0.2 0.915 110.6 54.2 -63.5 -42.9 24.8 -2.0 -4.3 18 18 A D H X S+ 0 0 65 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.845 108.9 50.6 -59.6 -34.1 25.6 -4.3 -1.4 19 19 A T H X S+ 0 0 70 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.932 112.3 43.8 -70.4 -46.8 22.9 -6.7 -2.8 20 20 A V H X S+ 0 0 94 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.915 113.8 51.7 -64.3 -43.0 24.3 -6.7 -6.3 21 21 A N H < S+ 0 0 106 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.898 116.9 39.2 -60.4 -41.4 27.8 -7.0 -5.1 22 22 A K H >< S+ 0 0 109 -4,-1.9 3,-1.4 -5,-0.2 4,-0.3 0.637 101.6 76.1 -82.8 -15.4 26.8 -10.0 -2.9 23 23 A F H 3< S+ 0 0 174 -4,-1.4 3,-0.4 1,-0.3 -2,-0.2 0.923 104.0 35.1 -61.0 -45.1 24.5 -11.3 -5.7 24 24 A T T 3< S+ 0 0 100 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.1 -0.092 83.3 121.2 -99.8 33.3 27.5 -12.6 -7.7 25 25 A K < 0 0 155 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.919 360.0 360.0 -61.6 -45.1 29.4 -13.5 -4.5 26 26 A K 0 0 254 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.849 360.0 360.0 -46.3 360.0 29.6 -17.2 -5.5