==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 14-OCT-92 1DTC . COMPND 2 MOLECULE: ACETYL-DELTA-TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.M.BLADON,P.BLADON,J.A.PARKINSON . 26 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2784.0 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 . 2 7.7 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+3), SAME NUMBER PER 100 RESIDUES . 19 73.1 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 1 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 M > 0 0 186 0, 0.0 4,-3.0 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -93.6 -17.9 2.5 -1.4 2 2 A A H > + 0 0 66 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.906 360.0 50.1 -53.0 -45.7 -15.8 3.7 1.7 3 3 A Q H > S+ 0 0 163 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.910 113.9 45.8 -57.6 -41.8 -15.1 0.1 2.7 4 4 A D H > S+ 0 0 103 -3,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.909 113.5 48.6 -69.4 -42.0 -13.9 -0.7 -1.0 5 5 A I H X S+ 0 0 104 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.941 115.1 45.5 -59.6 -47.1 -11.9 2.6 -1.1 6 6 A I H X S+ 0 0 114 -4,-3.1 4,-2.9 -5,-0.3 -2,-0.2 0.935 113.8 49.0 -63.7 -45.1 -10.3 1.7 2.3 7 7 A S H X S+ 0 0 72 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.943 113.0 47.5 -57.8 -47.3 -9.7 -2.0 1.1 8 8 A T H X S+ 0 0 77 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.959 111.7 49.5 -60.2 -50.4 -8.1 -0.6 -2.2 9 9 A I H X S+ 0 0 93 -4,-3.1 4,-3.2 1,-0.2 -2,-0.2 0.924 110.6 52.1 -55.5 -40.9 -5.9 1.9 -0.1 10 10 A G H X S+ 0 0 29 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.953 108.9 49.0 -56.6 -48.7 -5.0 -1.3 2.0 11 11 A D H X S+ 0 0 59 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.935 112.2 47.8 -58.7 -44.0 -4.0 -3.1 -1.2 12 12 A L H X S+ 0 0 94 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.967 110.3 53.4 -56.6 -49.6 -1.9 -0.0 -2.3 13 13 A V H X S+ 0 0 64 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.885 103.8 55.9 -53.2 -42.0 -0.4 -0.1 1.3 14 14 A K H X S+ 0 0 106 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.957 112.4 42.4 -52.9 -48.6 0.5 -3.8 0.8 15 15 A W H X S+ 0 0 134 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.918 114.0 50.7 -69.6 -43.7 2.5 -2.8 -2.3 16 16 A I H X S+ 0 0 100 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.914 113.4 46.7 -53.8 -46.2 4.0 0.3 -0.5 17 17 A I H X S+ 0 0 85 -4,-3.0 4,-3.4 -5,-0.2 5,-0.3 0.950 114.7 45.8 -67.0 -47.3 5.1 -2.0 2.4 18 18 A D H X S+ 0 0 77 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.989 117.9 43.3 -53.5 -57.5 6.6 -4.6 -0.1 19 19 A T H X S+ 0 0 80 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.881 117.7 47.4 -56.4 -41.4 8.3 -1.8 -2.1 20 20 A V H < S+ 0 0 49 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.960 111.2 48.4 -63.5 -53.6 9.4 -0.1 1.3 21 21 A N H < S+ 0 0 113 -4,-3.4 3,-0.3 -5,-0.2 -2,-0.2 0.899 119.9 42.1 -63.5 -34.3 10.7 -3.4 2.9 22 22 A K H < S+ 0 0 158 -4,-2.8 2,-1.0 1,-0.3 -2,-0.2 0.966 136.0 14.7 -60.9 -84.8 12.6 -3.9 -0.4 23 23 A F S < S- 0 0 134 -4,-2.5 2,-2.8 -5,-0.1 -1,-0.3 -0.830 74.6-161.9 -91.8 93.6 13.8 -0.3 -1.0 24 24 A T S S- 0 0 97 -2,-1.0 -4,-0.1 -3,-0.3 -3,-0.1 -0.483 85.0 -44.0 -78.4 73.2 13.3 1.3 2.5 25 25 A K 0 0 184 -2,-2.8 -1,-0.2 -6,-0.2 -5,-0.1 0.993 360.0 360.0 66.2 80.7 13.5 4.6 0.6 26 26 A K 0 0 243 -3,-0.3 -2,-0.1 0, 0.0 -3,-0.1 0.978 360.0 360.0 61.7 360.0 16.6 3.8 -1.7