==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-AUG-03 1OLP . COMPND 2 MOLECULE: ALPHA-TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM SARDINIENSE; . AUTHOR D.C.BRIGGS,A.K.BASAK . 1475 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1035 70.2 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 . 205 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 72 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 534 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.2 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 10 0 0 0 2 4 0 1 5 2 0 0 4 3 5 0 0 0 0 4 0 0 0 0 0 2 2 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 . 10 1 0 4 4 6 6 4 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 . 1 0 8 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 W 0 0 1 0, 0.0 2,-0.1 0, 0.0 151,-0.1 0.000 360.0 360.0 360.0 163.2 36.1 18.4 93.0 2 2 A D + 0 0 51 150,-0.4 9,-1.7 147,-0.1 2,-0.3 -0.361 360.0 160.3 -68.8 147.7 33.7 16.4 90.8 3 3 A G - 0 0 5 7,-0.2 2,-0.3 6,-0.2 6,-0.2 -0.973 28.4-133.8-158.9 167.0 30.7 18.0 89.2 4 4 A K B >> -A 8 0A 76 4,-2.4 3,-2.0 -2,-0.3 4,-0.6 -0.913 28.2-115.4-125.1 152.4 28.2 17.4 86.3 5 5 A E T 34 S+ 0 0 45 -2,-0.3 48,-0.1 1,-0.3 49,-0.1 0.707 109.6 67.5 -61.1 -25.5 27.0 19.8 83.7 6 6 A D T 34 S- 0 0 41 47,-0.1 -1,-0.3 1,-0.1 44,-0.1 0.471 122.9 -98.3 -77.0 -2.2 23.4 19.7 84.9 7 7 A G T <4 S+ 0 0 2 -3,-2.0 2,-0.2 1,-0.3 -2,-0.2 0.757 86.0 113.8 91.8 29.1 24.5 21.5 88.1 8 8 A T B < +A 4 0A 53 -4,-0.6 -4,-2.4 42,-0.1 -1,-0.3 -0.752 36.3 62.3-121.7 172.9 24.9 18.5 90.5 9 9 A G S >> S- 0 0 2 -2,-0.2 4,-2.0 -6,-0.2 3,-0.8 -0.544 99.5 -36.2 103.2-170.6 27.7 16.8 92.2 10 10 A T H 3> S+ 0 0 0 1,-0.3 4,-2.3 -8,-0.3 -7,-0.2 0.857 132.3 52.7 -59.7 -44.7 30.2 17.9 94.9 11 11 A H H 3> S+ 0 0 1 -9,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.831 111.8 46.3 -61.9 -36.1 30.7 21.4 93.6 12 12 A S H <> S+ 0 0 8 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.838 110.2 52.0 -73.8 -38.6 26.9 22.1 93.7 13 13 A V H X S+ 0 0 11 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.912 108.7 54.7 -64.1 -41.1 26.4 20.6 97.1 14 14 A I H X S+ 0 0 1 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.952 113.6 36.9 -57.6 -56.6 29.1 22.9 98.3 15 15 A V H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.842 118.7 50.9 -69.7 -31.1 27.6 26.1 97.1 16 16 A T H X S+ 0 0 19 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.877 112.4 44.9 -72.3 -42.2 24.0 25.0 97.9 17 17 A Q H X S+ 0 0 15 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.817 107.7 60.9 -69.3 -32.6 24.9 24.0 101.5 18 18 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.848 101.9 51.9 -65.1 -34.7 26.8 27.2 101.8 19 19 A I H X S+ 0 0 3 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.904 109.5 49.5 -66.2 -39.9 23.6 29.1 101.1 20 20 A E H X S+ 0 0 84 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.877 110.3 51.1 -67.0 -37.4 21.9 27.1 103.9 21 21 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 146,-0.3 0.924 108.9 49.7 -63.9 -47.3 24.7 27.9 106.3 22 22 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.916 109.1 52.6 -62.0 -45.4 24.6 31.6 105.6 23 23 A K H < S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.852 114.3 43.0 -52.8 -41.3 20.9 31.7 106.2 24 24 A H H < S+ 0 0 125 -4,-1.5 -2,-0.2 141,-0.2 -1,-0.2 0.863 116.4 47.2 -74.6 -37.0 21.3 30.0 109.6 25 25 A D H < S+ 0 0 2 -4,-2.5 146,-1.8 -5,-0.1 -2,-0.2 0.644 78.7 116.0 -82.7 -19.6 24.4 32.1 110.6 26 26 A L < - 0 0 15 -4,-1.8 2,-0.1 144,-0.2 144,-0.0 -0.361 67.8-128.1 -55.9 124.0 22.9 35.5 109.7 27 27 A S > - 0 0 4 1,-0.1 3,-1.8 -2,-0.1 -1,-0.1 -0.332 14.1-113.0 -78.1 156.6 22.7 37.3 113.0 28 28 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.746 116.7 58.3 -57.7 -22.8 19.6 39.0 114.4 29 29 A D T 3 S+ 0 0 109 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.493 78.6 114.1 -86.7 -4.7 21.4 42.3 113.9 30 30 A E S < S- 0 0 14 -3,-1.8 2,-0.1 1,-0.1 142,-0.0 -0.384 74.6-104.1 -68.5 145.2 22.0 42.0 110.2 31 31 A P >> - 0 0 75 0, 0.0 3,-1.4 0, 0.0 4,-1.0 -0.398 22.7-117.4 -65.4 146.6 20.2 44.5 108.0 32 32 A E H 3> S+ 0 0 153 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.727 109.6 70.5 -47.4 -32.7 17.2 43.4 105.9 33 33 A A H 3> S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.843 97.5 48.8 -62.1 -33.1 19.1 44.2 102.7 34 34 A I H <> S+ 0 0 1 -3,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.908 113.3 46.2 -73.7 -43.4 21.4 41.2 103.2 35 35 A R H X S+ 0 0 96 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.951 114.0 48.5 -61.2 -53.6 18.5 38.8 103.9 36 36 A N H X S+ 0 0 91 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.901 112.5 48.2 -50.7 -48.0 16.6 40.2 100.9 37 37 A D H X S+ 0 0 24 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.854 109.0 53.0 -69.4 -34.0 19.6 39.9 98.6 38 38 A L H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.866 106.5 54.8 -63.1 -36.8 20.3 36.3 99.8 39 39 A S H X S+ 0 0 59 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.858 103.9 53.2 -66.9 -37.0 16.7 35.5 98.9 40 40 A I H X S+ 0 0 43 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.917 109.2 49.9 -61.4 -41.8 17.3 36.8 95.4 41 41 A L H < S+ 0 0 0 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.907 109.7 51.1 -63.2 -40.5 20.2 34.4 95.2 42 42 A E H >< S+ 0 0 61 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.870 104.9 56.4 -62.3 -38.4 18.0 31.6 96.5 43 43 A K H 3< S+ 0 0 135 -4,-2.2 -1,-0.2 1,-0.3 3,-0.2 0.762 114.3 40.2 -65.4 -24.8 15.4 32.4 93.8 44 44 A N T 3X S+ 0 0 24 -4,-1.0 4,-1.4 -3,-0.5 3,-0.3 -0.056 77.7 126.5-111.1 31.0 18.2 31.9 91.2 45 45 A L H <> + 0 0 48 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 0.821 68.1 59.8 -57.3 -34.2 19.7 28.8 93.0 46 46 A H H > S+ 0 0 118 1,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.932 106.5 45.0 -63.2 -45.7 19.5 26.8 89.8 47 47 A K H > S+ 0 0 79 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.787 111.9 53.6 -66.0 -30.2 21.8 29.2 87.9 48 48 A F H X S+ 0 0 0 -4,-1.4 4,-2.0 -7,-0.2 -2,-0.2 0.895 109.9 47.1 -71.1 -42.8 24.2 29.3 90.9 49 49 A Q H X S+ 0 0 40 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.910 112.4 49.9 -63.8 -43.3 24.4 25.5 90.9 50 50 A L H >X S+ 0 0 19 -4,-2.4 4,-1.7 1,-0.2 3,-1.0 0.920 110.1 50.7 -63.2 -45.0 25.0 25.4 87.2 51 51 A G H 3< S+ 0 0 0 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.913 102.6 61.8 -54.1 -43.1 27.7 28.0 87.5 52 52 A S H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.689 116.7 28.3 -62.6 -22.6 29.3 25.9 90.2 53 53 A T H X< S+ 0 0 0 -3,-1.0 3,-1.1 -4,-0.8 4,-0.3 0.598 97.4 90.1-109.3 -15.8 29.9 23.0 87.8 54 54 A F G >< S+ 0 0 4 -4,-1.7 3,-3.2 1,-0.3 4,-0.3 0.825 71.5 67.3 -59.5 -43.8 30.2 24.7 84.5 55 55 A P G > S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 0.820 95.3 59.2 -55.0 -29.8 34.0 25.4 84.3 56 56 A D G < S+ 0 0 33 -3,-1.1 -2,-0.2 1,-0.2 -51,-0.1 0.643 117.2 33.8 -66.6 -13.8 34.7 21.6 84.0 57 57 A Y G < S+ 0 0 85 -3,-3.2 -1,-0.2 -4,-0.3 583,-0.1 0.084 82.1 133.1-129.8 18.3 32.5 21.6 80.9 58 58 A D X - 0 0 27 -3,-1.0 3,-1.8 -4,-0.3 581,-0.0 -0.629 54.0-142.9 -70.9 122.3 33.3 25.0 79.4 59 59 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 244,-0.0 0.682 101.4 56.8 -59.9 -20.3 34.1 24.5 75.7 60 60 A N T 3 S+ 0 0 45 2,-0.0 3,-0.1 243,-0.0 -2,-0.1 0.189 79.7 131.8 -92.0 10.3 36.8 27.3 76.1 61 61 A A < - 0 0 33 -3,-1.8 2,-0.1 1,-0.1 -5,-0.1 -0.214 65.3-104.8 -57.3 154.2 38.6 25.4 78.8 62 62 A Y > - 0 0 40 1,-0.1 3,-1.6 234,-0.0 -1,-0.1 -0.486 36.4-104.0 -76.5 155.6 42.4 25.0 78.5 63 63 A S T 3 S+ 0 0 90 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.813 119.0 29.6 -56.8 -32.6 43.6 21.6 77.5 64 64 A L T 3 S- 0 0 51 24,-0.1 -1,-0.3 77,-0.0 15,-0.0 0.257 101.6-120.7-111.3 11.7 44.7 20.7 81.0 65 65 A Y X + 0 0 94 -3,-1.6 3,-2.4 1,-0.1 4,-0.1 0.809 54.7 159.9 53.6 34.2 42.3 22.7 83.1 66 66 A Q G > + 0 0 5 1,-0.3 3,-1.2 2,-0.2 12,-0.3 0.743 62.1 65.1 -66.1 -23.8 45.4 24.4 84.5 67 67 A D G 3 S+ 0 0 6 1,-0.2 -1,-0.3 26,-0.2 30,-0.3 0.550 89.8 68.4 -71.5 -8.0 43.5 27.4 85.8 68 68 A H G < S+ 0 0 1 -3,-2.4 2,-0.3 25,-0.1 -1,-0.2 0.391 92.6 74.8 -89.3 1.8 41.6 25.1 88.2 69 69 A F < + 0 0 10 -3,-1.2 25,-1.6 -4,-0.1 26,-0.2 -0.815 54.1 171.2-113.2 153.3 44.9 24.6 90.2 70 70 A W - 0 0 1 66,-1.7 7,-0.2 -2,-0.3 69,-0.1 -0.729 21.1-156.1-166.5 118.3 46.6 27.0 92.6 71 71 A D B >> -B 76 0B 16 5,-2.6 4,-2.3 -2,-0.2 5,-0.5 -0.853 12.4-156.0 -94.8 112.7 49.6 26.6 94.9 72 72 A P T 45S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 126,-0.1 0.760 88.9 53.1 -63.7 -29.4 49.2 29.2 97.6 73 73 A D T 45S+ 0 0 78 1,-0.1 121,-0.0 3,-0.1 -2,-0.0 0.825 121.7 28.2 -76.2 -34.5 53.0 29.3 98.5 74 74 A T T 45S- 0 0 44 -3,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.681 96.1-134.5 -94.4 -19.8 54.2 29.8 94.9 75 75 A D T <5 + 0 0 54 -4,-2.3 2,-0.2 1,-0.3 20,-0.0 0.539 68.8 108.7 73.0 14.5 51.1 31.7 93.7 76 76 A H B < -B 71 0B 68 -5,-0.5 -5,-2.6 17,-0.0 -1,-0.3 -0.728 67.6-122.8-119.0 160.7 51.2 29.6 90.5 77 77 A N >> - 0 0 0 13,-0.3 3,-1.9 -2,-0.2 4,-0.8 -0.526 47.7 -94.0 -87.8 171.9 49.3 26.7 88.8 78 78 A F H 3> S+ 0 0 2 1,-0.3 4,-2.7 -12,-0.3 3,-0.4 0.771 120.0 65.2 -66.0 -29.7 51.2 23.6 87.8 79 79 A T H 34 S+ 0 0 0 1,-0.2 10,-0.3 2,-0.2 -1,-0.3 0.600 108.3 42.8 -67.5 -12.2 52.1 24.6 84.3 80 80 A Q H <4 S+ 0 0 47 -3,-1.9 -1,-0.2 8,-0.1 -2,-0.2 0.575 122.7 36.7-100.9 -18.2 54.3 27.4 85.8 81 81 A D H < S+ 0 0 21 -4,-0.8 2,-0.5 -3,-0.4 1037,-0.4 0.681 103.0 71.8-103.9 -25.2 55.9 25.3 88.5 82 82 A N S >< S- 0 0 16 -4,-2.7 3,-1.7 -5,-0.2 4,-0.2 -0.869 70.8-144.7-104.2 120.8 56.4 21.9 86.9 83 83 A K G > S+ 0 0 14 -2,-0.5 3,-1.0 1033,-0.4 4,-0.2 0.767 95.7 61.1 -55.3 -34.1 59.1 21.7 84.3 84 84 A W G 3 S+ 0 0 72 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.718 109.2 42.6 -66.6 -20.6 57.3 19.2 82.1 85 85 A Y G X S+ 0 0 32 -3,-1.7 3,-2.2 -7,-0.3 -1,-0.2 0.244 73.8 114.9-113.2 12.4 54.4 21.6 81.5 86 86 A L G X S+ 0 0 48 -3,-1.0 3,-1.2 1,-0.3 -1,-0.1 0.760 73.8 58.9 -58.5 -28.9 56.2 25.0 81.0 87 87 A S G 3 S+ 0 0 95 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.467 102.6 54.5 -81.6 -3.5 55.0 25.3 77.3 88 88 A Y G < S+ 0 0 96 -3,-2.2 -1,-0.2 -9,-0.3 -2,-0.2 0.269 82.0 149.1-101.9 9.0 51.4 25.2 78.6 89 89 A A < + 0 0 41 -3,-1.2 -9,-0.1 -10,-0.3 -3,-0.1 -0.104 16.4 169.8 -53.4 133.9 52.1 28.1 80.9 90 90 A V - 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