==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN (HEMOLYTIC POLYPEPTIDE) 04-OCT-90 2MLT . COMPND 2 MOLECULE: MELITTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: APIS MELLIFERA; . AUTHOR D.EISENBERG,M.GRIBSKOV,T.C.TERWILLIGER . 52 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 78.8 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 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.9 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 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 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 G > 0 0 92 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 172.6 43.6 -11.5 24.3 2 2 A I H > + 0 0 96 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.809 360.0 62.1 -63.9 -30.3 44.2 -8.2 22.5 3 3 A G H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 104.8 44.6 -69.5 -40.2 44.0 -10.3 19.3 4 4 A A H > S+ 0 0 61 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.922 115.2 47.1 -68.2 -44.7 40.4 -11.3 20.1 5 5 A V H X S+ 0 0 81 -4,-1.8 4,-2.8 1,-0.2 3,-0.3 0.948 110.4 55.8 -60.4 -43.1 39.4 -7.7 21.1 6 6 A L H X S+ 0 0 17 -4,-3.0 4,-1.4 1,-0.3 -2,-0.2 0.943 103.1 51.8 -61.1 -45.1 41.1 -6.4 18.0 7 7 A K H X S+ 0 0 157 -4,-2.1 4,-1.4 1,-0.2 5,-0.5 0.880 109.6 50.9 -61.4 -39.1 39.1 -8.6 15.6 8 8 A V H <>S+ 0 0 80 -4,-1.5 5,-3.0 -3,-0.3 4,-0.4 0.876 105.8 55.8 -64.2 -38.7 35.8 -7.4 17.2 9 9 A L H <5S+ 0 0 27 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.795 111.5 45.5 -57.3 -33.4 36.9 -3.8 16.7 10 10 A T H <5S+ 0 0 52 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.786 133.5 5.9 -86.7 -21.7 37.3 -4.5 13.1 11 11 A T T X5S+ 0 0 99 -4,-1.4 4,-0.9 -5,-0.2 -3,-0.2 0.736 128.2 41.5-130.9 -41.8 34.1 -6.4 12.3 12 12 A G H >5S+ 0 0 36 -5,-0.5 4,-2.0 -4,-0.4 -3,-0.2 0.893 109.2 58.1 -84.3 -32.8 31.6 -6.6 15.1 13 13 A L H > S+ 0 0 64 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.915 112.7 46.3 -53.9 -46.3 31.0 -1.3 13.0 15 15 A A H X S+ 0 0 61 -4,-0.9 4,-2.3 1,-0.2 -2,-0.2 0.919 111.5 52.5 -67.8 -40.7 27.8 -3.4 12.7 16 16 A L H X S+ 0 0 87 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.805 105.8 54.7 -57.7 -40.8 27.0 -2.6 16.4 17 17 A I H X S+ 0 0 12 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.911 108.0 48.0 -58.5 -48.7 27.3 1.1 15.6 18 18 A S H X S+ 0 0 56 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.852 110.6 53.6 -59.8 -46.1 24.8 0.8 12.7 19 19 A W H X S+ 0 0 127 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.866 107.3 49.3 -49.5 -59.3 22.5 -1.1 15.1 20 20 A I H X S+ 0 0 45 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.890 108.9 53.5 -53.9 -45.2 22.6 1.6 17.8 21 21 A K H X S+ 0 0 81 -4,-1.7 4,-1.5 2,-0.2 3,-0.3 0.882 108.7 49.3 -58.8 -42.5 21.9 4.2 15.2 22 22 A R H X S+ 0 0 130 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.856 111.9 48.2 -61.0 -44.9 18.7 2.3 14.0 23 23 A K H < S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.761 107.3 56.2 -68.6 -31.9 17.5 1.9 17.6 24 24 A R H < S+ 0 0 142 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.856 106.4 49.7 -71.3 -38.9 18.1 5.7 18.3 25 25 A Q H < 0 0 168 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.706 360.0 360.0 -76.2 -22.0 15.8 6.7 15.3 26 26 A Q < 0 0 174 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.945 360.0 360.0 -66.0 360.0 13.1 4.4 16.6 27 !* 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 28 1 B G >> 0 0 92 0, 0.0 4,-1.6 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0-154.6 26.2 11.2 25.8 29 2 B I H 3> + 0 0 96 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.783 360.0 56.3 -51.3 -45.8 25.7 8.5 23.1 30 3 B G H 3> S+ 0 0 33 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.824 108.3 45.6 -62.9 -39.0 25.8 10.6 20.0 31 4 B A H <> S+ 0 0 60 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.930 113.2 53.6 -70.1 -46.8 29.3 12.2 20.7 32 5 B V H X S+ 0 0 81 -4,-1.6 4,-2.7 1,-0.3 5,-0.2 0.952 110.2 46.2 -49.5 -54.1 30.6 8.6 21.6 33 6 B L H X S+ 0 0 10 -4,-3.3 4,-2.2 1,-0.2 -1,-0.3 0.875 111.0 51.8 -57.1 -38.5 29.3 7.3 18.3 34 7 B K H X S+ 0 0 150 -4,-1.1 4,-1.7 -5,-0.3 -1,-0.2 0.891 109.1 49.7 -71.4 -34.6 30.8 10.1 16.4 35 8 B V H X S+ 0 0 103 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.906 113.4 47.7 -65.7 -44.4 34.2 9.6 18.0 36 9 B L H X S+ 0 0 54 -4,-2.7 4,-2.8 3,-0.2 -2,-0.2 0.878 109.3 51.4 -59.4 -47.8 34.1 5.9 17.2 37 10 B T H < S+ 0 0 74 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.843 123.6 29.9 -60.4 -41.7 33.1 6.3 13.6 38 11 B T H < S+ 0 0 112 -4,-1.7 4,-0.4 -5,-0.2 -1,-0.2 0.801 128.6 37.9 -87.4 -36.5 35.8 8.8 12.9 39 12 B G H X S+ 0 0 35 -4,-3.0 4,-1.4 -5,-0.2 -3,-0.2 0.695 96.4 74.8 -98.6 -24.0 38.5 7.6 15.3 40 13 B L H X S+ 0 0 18 -4,-2.8 4,-2.5 -5,-0.3 3,-0.3 0.883 89.0 57.6 -62.3 -41.9 38.3 3.8 15.3 41 14 B P H > S+ 0 0 78 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.903 110.1 45.4 -55.4 -46.4 39.9 3.1 11.9 42 15 B A H > S+ 0 0 69 -4,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.820 110.9 54.2 -61.7 -37.7 43.1 5.0 13.0 43 16 B L H X S+ 0 0 69 -4,-1.4 4,-2.5 -3,-0.3 5,-0.2 0.949 107.8 49.5 -62.4 -48.9 43.1 3.2 16.4 44 17 B I H X S+ 0 0 25 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.903 111.7 48.3 -59.6 -45.8 43.0 -0.2 14.6 45 18 B S H X S+ 0 0 73 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.886 112.4 49.3 -59.1 -45.1 45.9 0.7 12.3 46 19 B W H X S+ 0 0 125 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.857 109.5 50.1 -60.2 -51.1 47.9 1.9 15.3 47 20 B I H X S+ 0 0 26 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.948 109.5 51.6 -60.4 -46.0 47.3 -1.1 17.4 48 21 B K H X S+ 0 0 81 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.928 110.4 49.4 -55.6 -50.3 48.3 -3.4 14.5 49 22 B R H X S+ 0 0 118 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.924 110.5 48.7 -50.3 -58.2 51.5 -1.5 14.1 50 23 B K H < S+ 0 0 97 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.801 108.7 55.0 -47.1 -44.4 52.4 -1.7 17.7 51 24 B R H < S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.857 105.3 52.4 -63.5 -38.6 51.7 -5.4 17.8 52 25 B Q H < 0 0 173 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.737 360.0 360.0 -65.4 -17.9 54.2 -6.0 14.9 53 26 B Q < 0 0 164 -4,-0.8 0, 0.0 -3,-0.3 0, 0.0 -0.549 360.0 360.0-109.7 360.0 56.8 -4.1 16.9