==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUPERANTIGEN 14-NOV-96 1SXT . COMPND 2 MOLECULE: STAPHYLOCOCCAL ENTEROTOXIN TYPE A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.M.SUNDSTROM . 444 3 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 21.6 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 54 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 0 1 0 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 3 1 6 6 1 1 1 1 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 . 4 2 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 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 10 A K 0 0 155 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.0 22.7 8.4 59.2 2 11 A D + 0 0 153 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.154 360.0 134.7 -89.2 38.4 22.2 11.2 56.5 3 12 A L - 0 0 14 -2,-0.1 2,-0.2 1,-0.1 171,-0.1 -0.604 59.2-117.6 -93.9 148.2 23.5 13.6 59.1 4 13 A R - 0 0 128 -2,-0.2 169,-0.4 169,-0.2 2,-0.3 -0.523 35.2-123.6 -77.1 154.4 26.1 16.4 58.6 5 14 A K - 0 0 88 2,-0.4 4,-0.4 -2,-0.2 167,-0.2 -0.723 12.6-120.6-108.0 153.8 29.3 16.1 60.6 6 15 A K S > S+ 0 0 8 165,-1.9 3,-2.2 -2,-0.3 2,-0.5 0.896 103.3 78.6 -49.2 -47.1 31.0 18.4 63.1 7 16 A S T 3 S+ 0 0 72 1,-0.3 -2,-0.4 164,-0.2 3,-0.1 -0.604 89.0 45.6 -69.0 116.8 33.9 18.2 60.7 8 17 A E T 3 S+ 0 0 165 -2,-0.5 2,-0.7 1,-0.3 -1,-0.3 -0.268 88.4 105.9 135.1 -32.6 32.8 20.7 58.0 9 18 A L S < S- 0 0 29 -3,-2.2 -1,-0.3 -4,-0.4 186,-0.1 -0.656 74.5-127.7 -77.9 111.6 31.7 23.2 60.6 10 19 A Q > - 0 0 62 -2,-0.7 4,-2.8 184,-0.2 5,-0.3 -0.109 24.1-105.3 -54.1 159.8 34.3 26.1 60.7 11 20 A G T 4 S+ 0 0 71 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.671 123.9 45.0 -62.8 -21.6 35.8 27.1 64.1 12 21 A T T > S+ 0 0 52 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.702 110.3 54.1 -92.0 -28.2 33.7 30.2 64.2 13 22 A A H > S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.984 112.6 42.9 -66.4 -54.6 30.6 28.3 63.1 14 23 A L H X S+ 0 0 19 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.768 116.3 50.6 -60.7 -28.7 31.0 25.8 66.0 15 24 A G H > S+ 0 0 28 -4,-0.3 4,-1.7 -5,-0.3 -1,-0.2 0.910 111.1 46.0 -77.2 -43.3 31.9 28.7 68.3 16 25 A N H X S+ 0 0 23 -4,-2.7 4,-3.3 179,-0.3 -2,-0.2 0.912 109.1 54.8 -67.6 -39.1 28.8 30.7 67.3 17 26 A L H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.962 110.6 48.1 -57.1 -45.0 26.6 27.8 67.6 18 27 A K H X>S+ 0 0 33 -4,-1.5 5,-1.7 1,-0.2 4,-1.1 0.786 111.8 48.3 -65.3 -32.3 28.0 27.4 71.2 19 28 A Q H <>S+ 0 0 92 -4,-1.7 5,-2.7 3,-0.2 -1,-0.2 0.950 114.2 47.5 -71.9 -46.3 27.4 31.1 72.0 20 29 A I H X5S+ 0 0 3 -4,-3.3 4,-0.5 1,-0.2 -2,-0.2 0.979 120.8 33.6 -55.6 -65.0 23.9 30.9 70.6 21 30 A Y H <5S+ 0 0 1 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.587 140.0 9.1 -72.0 -12.5 22.8 27.8 72.4 22 31 A Y T <5S+ 0 0 84 -4,-1.1 -3,-0.2 -5,-0.3 -2,-0.1 0.637 125.7 42.9-130.3 -60.1 24.8 28.3 75.6 23 32 A Y T 4> -C 42 0B 53 4,-2.9 3,-0.7 -2,-0.3 4,-0.7 -0.935 62.9 -28.5-144.3 113.3 10.2 46.9 58.0 39 48 A L T 34 S- 0 0 125 -2,-0.4 2,-2.5 1,-0.2 -1,-0.1 0.894 108.1 -51.7 44.4 88.9 10.7 45.9 54.4 40 49 A Q T 34 S+ 0 0 130 1,-0.2 -1,-0.2 -3,-0.1 25,-0.2 -0.003 131.7 22.5 53.1 -31.4 8.1 43.3 53.3 41 50 A H T <4 S+ 0 0 49 -2,-2.5 21,-2.0 -3,-0.7 2,-0.3 0.126 98.3 84.1-157.0 32.6 8.5 40.6 56.0 42 51 A T E < -CD 38 61B 5 -4,-0.7 -4,-2.9 19,-0.2 2,-0.3 -0.993 55.9-146.3-139.0 142.9 9.9 41.8 59.2 43 52 A I E -CD 37 60B 1 17,-2.3 17,-1.5 -2,-0.3 2,-0.5 -0.821 13.7-145.5-103.4 148.2 8.3 43.5 62.2 44 53 A L E - D 0 59B 21 -8,-2.6 2,-0.8 -2,-0.3 -8,-0.4 -0.980 4.6-159.1-119.2 125.3 10.2 46.2 64.1 45 54 A F E > - D 0 58B 4 13,-2.8 13,-1.8 -2,-0.5 3,-0.9 -0.902 15.3-146.3-104.6 99.0 9.7 46.4 67.8 46 55 A K T 3 S+ 0 0 140 -2,-0.8 11,-0.2 1,-0.3 49,-0.0 -0.439 80.7 2.3 -62.5 141.5 10.8 49.9 68.9 47 56 A G T 3 S+ 0 0 26 1,-0.1 10,-0.3 -2,-0.1 -1,-0.3 0.880 75.2 159.0 45.2 51.9 12.3 49.8 72.4 48 57 A F < + 0 0 8 8,-1.9 2,-0.5 -3,-0.9 9,-0.2 0.928 61.5 67.5 -65.4 -43.8 12.0 46.1 72.8 49 58 A F - 0 0 26 7,-1.3 -1,-0.1 1,-0.1 -22,-0.0 -0.698 59.6-179.1 -84.7 120.1 14.7 46.2 75.5 50 59 A T + 0 0 39 -2,-0.5 -1,-0.1 2,-0.1 6,-0.1 0.334 62.1 74.4 -98.2 -1.6 13.5 48.1 78.6 51 60 A D S S- 0 0 62 387,-0.0 290,-0.1 5,-0.0 299,-0.0 0.021 101.4 -93.1 -88.9-150.8 16.7 47.8 80.6 52 61 A H S S+ 0 0 84 -2,-0.0 2,-0.2 0, 0.0 4,-0.1 -0.438 75.5 131.1-125.5 57.8 19.8 49.8 79.8 53 62 A S S S- 0 0 44 2,-0.3 -4,-0.1 1,-0.0 -2,-0.0 -0.669 72.7 -86.2-110.2 164.7 21.6 47.4 77.4 54 63 A W S S+ 0 0 188 -2,-0.2 2,-0.4 2,-0.1 -1,-0.0 0.788 105.8 63.1 -29.8 -56.4 23.3 47.7 73.9 55 64 A Y + 0 0 29 1,-0.1 -2,-0.3 40,-0.0 40,-0.2 -0.662 44.7 166.2 -93.4 138.7 20.1 47.1 72.0 56 65 A N + 0 0 65 38,-2.4 -8,-1.9 -2,-0.4 -7,-1.3 0.800 68.8 42.4-105.8 -55.5 16.9 49.2 71.9 57 66 A D E - e 0 95B 18 37,-1.9 39,-2.2 -10,-0.3 2,-0.4 -0.641 67.2-150.7 -97.2 156.0 14.9 48.0 68.9 58 67 A L E -De 45 96B 0 -13,-1.8 -13,-2.8 -2,-0.2 2,-0.6 -0.976 3.3-153.0-123.0 140.5 14.5 44.3 67.9 59 68 A L E -De 44 97B 9 37,-1.8 39,-2.0 -2,-0.4 2,-0.7 -0.894 8.3-163.7-119.9 100.7 13.9 43.3 64.3 60 69 A V E -De 43 98B 0 -17,-1.5 -17,-2.3 -2,-0.6 2,-0.3 -0.766 9.2-163.0 -88.0 116.2 12.0 40.0 64.0 61 70 A D E +De 42 99B 28 37,-2.6 39,-2.7 -2,-0.7 2,-0.3 -0.750 10.3 177.8-100.1 146.1 12.3 38.5 60.5 62 71 A F - 0 0 0 -21,-2.0 144,-0.2 -2,-0.3 143,-0.1 -0.882 42.5-103.1-138.9 169.0 10.0 35.8 59.1 63 72 A D S S+ 0 0 76 142,-1.5 2,-0.3 -2,-0.3 143,-0.1 0.846 93.3 1.6 -63.7 -37.3 9.7 34.0 55.8 64 73 A S >> - 0 0 44 -23,-0.1 4,-1.7 1,-0.0 3,-0.6 -0.991 66.4-105.1-153.4 167.7 6.7 36.1 54.5 65 74 A K H 3> S+ 0 0 67 -2,-0.3 4,-1.7 1,-0.2 -24,-0.1 0.512 111.7 72.2 -68.0 -8.2 4.2 38.8 54.9 66 75 A D H 3> S+ 0 0 135 2,-0.2 4,-0.6 1,-0.1 -1,-0.2 0.980 103.5 37.6 -68.9 -56.0 1.7 36.0 55.6 67 76 A I H X> S+ 0 0 30 -3,-0.6 3,-1.0 1,-0.2 4,-0.9 0.877 115.0 57.0 -59.3 -42.8 3.3 35.4 59.1 68 77 A V H >X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.3 3,-0.8 0.903 105.5 48.9 -57.8 -43.3 3.8 39.2 59.5 69 78 A D H 3< S+ 0 0 94 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.601 103.2 63.9 -75.3 -8.2 0.2 39.9 59.0 70 79 A K H << S+ 0 0 114 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.725 119.8 20.5 -83.4 -22.6 -0.7 37.2 61.6 71 80 A Y H X< S+ 0 0 12 -4,-0.9 3,-3.1 -3,-0.8 -37,-0.3 0.694 90.0 111.5-116.7 -31.6 1.1 39.1 64.3 72 81 A K T 3< S+ 0 0 75 -4,-3.0 -37,-0.2 1,-0.3 3,-0.1 -0.304 97.2 7.0 -54.6 119.1 1.3 42.8 63.2 73 82 A G T 3 S+ 0 0 24 -39,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.385 109.9 111.8 87.9 -0.9 -1.0 44.7 65.6 74 83 A K S < S- 0 0 114 -3,-3.1 2,-0.8 -40,-0.3 -40,-0.6 -0.609 79.7-102.3-103.0 161.4 -1.6 41.7 67.8 75 84 A K E +A 33 0A 76 -2,-0.2 30,-2.9 -42,-0.1 31,-0.4 -0.775 54.9 178.4 -83.6 112.6 -0.6 41.0 71.4 76 85 A V E -AB 32 104A 2 -44,-3.0 -44,-2.9 -2,-0.8 2,-0.4 -0.698 27.5-139.1-116.7 166.6 2.4 38.7 70.9 77 86 A D E - 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