==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 26-JUN-00 1F77 . COMPND 2 MOLECULE: ENTEROTOXIN H; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.HAKANSSON,K.PETERSSON,H.NILSSON,G.FORSBERG,P.BJORK . 424 3 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19080.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 25.2 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 . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 42 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 2 0 1 1 0 0 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 . 1 3 4 2 4 0 0 2 2 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 . 2 2 0 4 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 2 A D 0 0 149 0, 0.0 2,-0.3 0, 0.0 384,-0.1 0.000 360.0 360.0 360.0 103.2 6.8 -3.5 23.2 2 3 A L - 0 0 37 382,-0.1 160,-0.1 1,-0.1 2,-0.0 -0.645 360.0-113.0 -86.5 141.0 9.5 -5.3 25.3 3 4 A H - 0 0 63 -2,-0.3 2,-0.4 158,-0.2 158,-0.4 -0.351 30.1-120.9 -70.9 152.8 8.8 -6.5 28.8 4 5 A D > - 0 0 40 174,-0.1 3,-2.9 156,-0.1 4,-0.3 -0.788 9.1-129.7-100.4 140.1 10.5 -4.8 31.7 5 6 A K G > S+ 0 0 16 154,-2.6 3,-1.6 -2,-0.4 -1,-0.1 0.762 106.5 71.5 -54.3 -25.9 12.7 -6.6 34.2 6 7 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 153,-0.2 153,-0.0 0.626 84.7 69.7 -67.4 -10.8 10.6 -4.9 36.9 7 8 A E G < S+ 0 0 110 -3,-2.9 -1,-0.3 171,-0.1 2,-0.3 0.656 84.9 87.0 -80.6 -15.3 7.8 -7.3 35.9 8 9 A L S < S- 0 0 24 -3,-1.6 2,-0.1 -4,-0.3 175,-0.1 -0.608 74.8-126.9 -91.8 147.5 9.6 -10.3 37.3 9 10 A T > - 0 0 65 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.409 31.3-107.5 -81.3 162.4 9.4 -11.7 40.9 10 11 A D H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 125.1 53.4 -58.1 -36.3 12.7 -12.3 42.8 11 12 A L H > S+ 0 0 76 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.893 107.0 51.4 -64.9 -39.2 11.9 -16.0 42.3 12 13 A A H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.928 110.8 47.4 -62.8 -46.8 11.6 -15.4 38.6 13 14 A L H X S+ 0 0 9 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.917 113.6 48.3 -61.4 -44.6 15.0 -13.6 38.4 14 15 A A H X S+ 0 0 60 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.965 112.6 46.3 -62.6 -54.0 16.7 -16.3 40.5 15 16 A N H X S+ 0 0 39 -4,-2.8 4,-3.0 168,-0.2 5,-0.3 0.922 113.7 50.6 -54.5 -45.6 15.3 -19.2 38.5 16 17 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.939 111.7 45.8 -60.1 -49.5 16.2 -17.4 35.2 17 18 A Y H X S+ 0 0 59 -4,-2.7 4,-0.9 135,-0.2 -2,-0.2 0.969 115.5 49.9 -57.2 -51.0 19.8 -16.7 36.4 18 19 A G H >X S+ 0 0 26 -4,-3.1 4,-1.4 1,-0.2 3,-0.6 0.904 111.9 42.7 -54.0 -52.9 20.1 -20.3 37.5 19 20 A Q H 3< S+ 0 0 7 -4,-3.0 -1,-0.2 1,-0.2 57,-0.2 0.829 114.5 50.4 -69.4 -30.2 18.8 -22.2 34.5 20 21 A Y H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.599 115.1 44.4 -82.8 -9.4 20.7 -20.0 32.0 21 22 A N H << S+ 0 0 15 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.617 119.8 38.0-105.3 -19.0 24.0 -20.5 33.9 22 23 A H S < S- 0 0 133 -4,-1.4 54,-0.4 -5,-0.2 -1,-0.2 -0.562 75.8-179.7-134.4 71.2 23.7 -24.2 34.6 23 24 A P - 0 0 28 0, 0.0 2,-0.6 0, 0.0 52,-0.2 -0.392 34.0-113.0 -71.0 145.6 22.2 -26.0 31.5 24 25 A F E -A 74 0A 6 50,-3.0 50,-1.8 -5,-0.1 2,-0.5 -0.709 41.3-177.9 -80.6 121.2 21.7 -29.7 31.5 25 26 A I E +A 73 0A 82 -2,-0.6 2,-0.4 48,-0.2 48,-0.2 -0.967 11.9 159.8-129.0 120.3 24.1 -31.2 29.0 26 27 A K E -A 72 0A 68 46,-1.6 46,-3.0 -2,-0.5 2,-0.4 -0.992 21.7-150.6-140.2 131.3 24.4 -34.9 28.1 27 28 A E E + 0 0 103 -2,-0.4 44,-0.2 44,-0.2 43,-0.0 -0.837 67.2 0.1-107.6 135.7 25.9 -36.5 25.0 28 29 A N E S+ 0 0 85 -2,-0.4 2,-0.3 42,-0.4 -1,-0.2 0.945 79.1 143.3 59.5 61.4 24.9 -39.8 23.3 29 30 A I E -A 70 0A 8 41,-2.1 41,-2.8 -3,-0.3 2,-0.4 -0.873 34.8-146.3-122.8 157.9 22.1 -41.2 25.4 30 31 A K E -A 69 0A 105 -2,-0.3 2,-0.4 39,-0.2 39,-0.2 -0.983 5.7-161.5-131.8 128.9 19.1 -43.1 24.2 31 32 A S + 0 0 1 37,-0.5 36,-2.4 34,-0.5 37,-0.4 -0.859 13.3 172.3-106.9 143.8 15.5 -43.1 25.5 32 33 A D + 0 0 90 9,-0.6 2,-0.3 -2,-0.4 10,-0.1 -0.157 53.8 85.2-142.3 46.5 13.1 -45.8 24.7 33 34 A E - 0 0 63 8,-0.3 8,-2.4 2,-0.0 2,-0.3 -0.920 56.8-158.6-149.4 114.0 10.1 -45.1 26.9 34 35 A I E -C 40 0B 43 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.731 13.5-170.6 -92.7 145.1 7.4 -42.7 26.0 35 36 A S E >> +C 39 0B 35 4,-2.7 4,-1.9 -2,-0.3 3,-1.2 -0.998 66.5 4.7-138.7 139.7 5.4 -41.3 28.9 36 37 A G T 34 S- 0 0 63 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.807 113.7 -86.8 56.2 29.1 2.2 -39.2 28.8 37 38 A E T 34 S+ 0 0 65 1,-0.2 -1,-0.3 2,-0.1 26,-0.2 0.391 128.8 50.5 58.0 -4.2 2.3 -39.7 25.0 38 39 A K T <4 S+ 0 0 97 -3,-1.2 18,-2.2 24,-0.1 2,-0.4 0.310 92.8 84.1-144.6 10.5 4.6 -36.6 24.5 39 40 A D E < -CD 35 55B 11 -4,-1.9 -4,-2.7 16,-0.2 2,-0.4 -0.929 58.6-149.3-121.7 145.4 7.5 -37.2 27.0 40 41 A L E -CD 34 54B 0 14,-2.9 14,-2.9 -2,-0.4 2,-0.5 -0.910 13.9-146.2-110.3 138.9 10.6 -39.3 26.6 41 42 A I E - D 0 53B 3 -8,-2.4 2,-0.7 -2,-0.4 -9,-0.6 -0.910 14.6-174.3-111.0 127.2 12.2 -40.9 29.7 42 43 A F E > - D 0 52B 2 10,-2.8 10,-2.2 -2,-0.5 3,-1.4 -0.847 24.6-149.6-116.7 88.8 15.9 -41.4 30.2 43 44 A R T 3 S+ 0 0 109 -2,-0.7 8,-0.2 1,-0.2 7,-0.1 -0.383 73.2 5.7 -64.1 131.1 16.1 -43.4 33.3 44 45 A N T 3 S+ 0 0 122 5,-0.1 -1,-0.2 -2,-0.1 7,-0.2 0.649 103.8 97.6 73.3 18.5 19.2 -42.8 35.5 45 46 A Q < + 0 0 57 -3,-1.4 6,-0.2 5,-0.2 2,-0.1 0.299 54.1 93.7-123.0 15.5 20.6 -40.0 33.5 46 47 A G S > S- 0 0 6 4,-2.8 3,-1.2 1,-0.2 6,-0.1 -0.389 92.4 -69.4 -93.0 177.7 19.5 -36.9 35.2 47 48 A D G > S+ 0 0 77 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 -0.301 124.5 24.7 -63.8 155.0 21.7 -35.1 37.8 48 49 A S G 3 S- 0 0 112 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.689 132.5 -75.9 63.0 16.6 22.1 -37.0 41.1 49 50 A G G < S+ 0 0 50 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.735 93.9 148.6 66.9 19.8 21.4 -40.1 39.1 50 51 A N < - 0 0 27 -3,-2.1 -4,-2.8 -6,-0.1 2,-0.4 -0.220 56.2 -90.3 -76.5 174.6 17.7 -39.1 39.0 51 52 A D E - e 0 89B 14 37,-1.0 39,-2.7 -7,-0.2 2,-0.5 -0.725 38.9-136.2 -88.9 139.5 15.4 -40.0 36.1 52 53 A L E -De 42 90B 0 -10,-2.2 -10,-2.8 -2,-0.4 2,-0.7 -0.839 12.2-162.8-101.4 127.9 15.2 -37.5 33.3 53 54 A R E -De 41 91B 12 37,-3.2 39,-1.1 -2,-0.5 2,-0.7 -0.923 4.7-163.5-110.4 109.9 11.9 -36.5 31.7 54 55 A V E -De 40 92B 0 -14,-2.9 -14,-2.9 -2,-0.7 2,-0.4 -0.848 12.7-155.5 -95.4 115.3 12.3 -34.8 28.3 55 56 A K E -De 39 93B 22 37,-2.8 39,-2.0 -2,-0.7 2,-0.2 -0.795 10.5-171.0 -99.5 129.7 9.1 -33.0 27.4 56 57 A F - 0 0 3 -18,-2.2 138,-0.2 -2,-0.4 137,-0.1 -0.706 32.6-119.3-113.6 165.8 8.0 -32.2 23.9 57 58 A A S S+ 0 0 22 136,-2.2 2,-0.3 -2,-0.2 137,-0.1 0.850 95.1 21.6 -70.9 -36.2 5.2 -30.1 22.3 58 59 A T S > S- 0 0 61 135,-0.3 4,-1.7 -20,-0.1 3,-0.4 -0.958 73.1-120.2-136.1 154.6 3.7 -33.1 20.4 59 60 A A H > S+ 0 0 37 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.857 114.0 63.6 -57.6 -35.1 3.6 -36.9 20.6 60 61 A D H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.939 101.5 49.0 -53.4 -50.9 5.2 -36.8 17.1 61 62 A L H > S+ 0 0 33 -3,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.924 111.4 48.4 -55.4 -50.0 8.3 -35.1 18.4 62 63 A A H >< S+ 0 0 0 -4,-1.7 3,-1.0 1,-0.2 4,-0.3 0.923 112.7 49.2 -56.2 -47.2 8.7 -37.6 21.2 63 64 A Q H >< S+ 0 0 106 -4,-2.9 3,-1.2 1,-0.3 -1,-0.2 0.864 101.0 64.3 -61.2 -39.5 8.2 -40.5 18.8 64 65 A K H 3< S+ 0 0 140 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.742 109.6 39.3 -58.6 -24.4 10.8 -39.0 16.4 65 66 A F T X< S+ 0 0 6 -3,-1.0 3,-1.3 -4,-0.8 -34,-0.5 0.366 78.9 117.1-111.0 9.6 13.5 -39.5 19.0 66 67 A K T < S+ 0 0 64 -3,-1.2 -34,-0.2 -4,-0.3 3,-0.1 -0.645 90.0 16.8 -76.9 121.1 12.7 -42.9 20.7 67 68 A N T 3 S+ 0 0 95 -36,-2.4 2,-0.5 -2,-0.5 -1,-0.3 0.257 100.0 135.1 98.5 -11.7 15.7 -45.1 19.9 68 69 A K < - 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