==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 09-SEP-92 2DTB . COMPND 2 MOLECULE: 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) . 2742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 76.9 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 . 1 3.8 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 . 17 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 7.7 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 1 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 M > 0 0 185 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -78.3 -17.5 -1.8 2.6 2 2 A A H > + 0 0 71 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.933 360.0 44.8 -64.4 -42.5 -16.0 -1.5 -1.0 3 3 A Q H > S+ 0 0 164 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.898 115.4 49.2 -65.7 -35.3 -14.8 2.2 -0.4 4 4 A D H > S+ 0 0 108 2,-0.2 4,-2.9 3,-0.2 -2,-0.2 0.899 114.4 44.8 -68.7 -37.6 -13.4 1.1 3.1 5 5 A I H X S+ 0 0 103 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.947 115.4 47.0 -69.3 -46.9 -11.6 -2.0 1.4 6 6 A I H X S+ 0 0 122 -4,-3.1 4,-3.1 -5,-0.3 5,-0.3 0.957 115.7 46.5 -57.7 -47.3 -10.3 0.2 -1.5 7 7 A S H X S+ 0 0 67 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.963 115.0 46.4 -58.2 -50.2 -9.2 2.8 1.2 8 8 A T H X S+ 0 0 78 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.951 115.9 44.4 -58.8 -47.4 -7.5 0.0 3.3 9 9 A I H X S+ 0 0 98 -4,-3.2 4,-3.2 2,-0.2 5,-0.2 0.947 113.5 50.3 -71.0 -41.0 -5.8 -1.6 0.3 10 10 A G H X S+ 0 0 26 -4,-3.1 4,-3.2 -5,-0.3 -1,-0.2 0.913 110.5 51.6 -58.7 -37.2 -4.6 1.9 -1.0 11 11 A D H X S+ 0 0 68 -4,-2.7 4,-3.2 -5,-0.3 5,-0.4 0.959 112.1 44.6 -62.9 -45.6 -3.3 2.5 2.6 12 12 A L H <>S+ 0 0 87 -4,-2.8 5,-2.6 2,-0.2 4,-0.5 0.936 114.6 50.0 -63.4 -40.8 -1.3 -0.9 2.5 13 13 A V H <>S+ 0 0 63 -4,-3.2 5,-2.6 3,-0.2 -2,-0.2 0.980 116.3 42.3 -53.8 -55.9 -0.2 0.1 -1.2 14 14 A K H <5S+ 0 0 115 -4,-3.2 5,-0.3 -5,-0.2 -2,-0.2 0.973 130.7 23.0 -58.4 -56.6 1.0 3.5 0.2 15 15 A W T X5S+ 0 0 170 -4,-3.2 4,-2.1 -5,-0.2 5,-0.2 0.994 134.4 26.8 -81.9 -63.6 2.6 2.3 3.5 16 16 A I H >5S+ 0 0 99 -4,-0.5 4,-3.2 -5,-0.4 -3,-0.2 0.984 127.1 39.9 -70.6 -57.0 3.6 -1.4 3.0 17 17 A I H >