==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENTEROTOXIN 25-MAY-95 1ESF . COMPND 2 MOLECULE: STAPHYLOCOCCAL ENTEROTOXIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR E.M.SCHAD,L.A.SVENSSON . 457 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 21.2 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 . 2 0.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 34 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 3 1 0 2 0 0 2 0 0 0 0 0 2 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 . 2 2 7 5 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 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 1 A S 0 0 63 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 115.5 -1.6 -1.6 -12.0 2 2 A E - 0 0 101 1,-0.1 2,-0.4 2,-0.0 3,-0.0 -0.491 360.0 -81.7 -99.4 174.9 -4.9 -1.4 -10.1 3 3 A K >> - 0 0 133 -2,-0.2 4,-1.8 1,-0.2 3,-1.3 -0.682 35.1-135.7 -78.4 125.3 -7.9 0.8 -10.4 4 4 A S H 3> S+ 0 0 6 -2,-0.4 4,-1.5 1,-0.3 -1,-0.2 0.779 105.5 62.6 -55.8 -22.9 -7.0 4.0 -8.6 5 5 A E H 34 S+ 0 0 118 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.800 103.7 45.2 -73.9 -29.9 -10.5 3.7 -7.2 6 6 A E H X4 S+ 0 0 104 -3,-1.3 3,-1.0 2,-0.2 4,-0.3 0.870 111.7 50.5 -80.6 -40.4 -9.8 0.4 -5.4 7 7 A I H >< S+ 0 0 15 -4,-1.8 3,-2.0 1,-0.3 -2,-0.2 0.872 99.5 66.5 -63.2 -37.1 -6.4 1.5 -4.0 8 8 A N T 3< S+ 0 0 61 -4,-1.5 -1,-0.3 1,-0.3 4,-0.2 0.771 94.4 61.7 -58.2 -19.7 -8.1 4.6 -2.7 9 9 A E T < S+ 0 0 155 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.642 78.7 96.2 -83.3 -16.5 -10.0 2.2 -0.4 10 10 A K S < S- 0 0 90 -3,-2.0 2,-1.4 -4,-0.3 -3,-0.0 -0.301 93.7-101.9 -65.4 159.9 -7.0 0.8 1.5 11 11 A D + 0 0 144 3,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.735 50.9 179.1 -92.1 90.9 -6.5 2.7 4.8 12 12 A L - 0 0 13 -2,-1.4 168,-0.1 -4,-0.2 2,-0.1 -0.790 32.2-112.7 -86.8 135.5 -3.6 4.9 3.8 13 13 A R - 0 0 97 -2,-0.4 166,-0.3 166,-0.1 2,-0.3 -0.386 32.7-127.1 -66.4 146.7 -2.4 7.3 6.5 14 14 A K > - 0 0 96 1,-0.1 3,-1.5 164,-0.1 164,-0.2 -0.681 12.7-121.0 -96.8 156.3 -3.1 10.9 5.7 15 15 A K G > S+ 0 0 12 162,-1.9 3,-1.7 1,-0.3 -1,-0.1 0.885 111.2 64.9 -61.2 -35.6 -0.5 13.6 5.7 16 16 A S G 3 S+ 0 0 93 1,-0.3 -1,-0.3 161,-0.1 161,-0.0 0.675 90.9 67.2 -63.6 -11.7 -2.4 15.5 8.4 17 17 A E G < S+ 0 0 110 -3,-1.5 2,-0.7 2,-0.1 -1,-0.3 0.257 70.4 114.5 -90.7 8.9 -1.8 12.6 10.8 18 18 A L < - 0 0 42 -3,-1.7 2,-0.6 2,-0.1 5,-0.1 -0.768 60.2-142.9 -88.7 113.7 2.0 13.2 11.0 19 19 A Q > - 0 0 139 -2,-0.7 3,-0.6 181,-0.1 2,-0.3 -0.627 53.4 -43.9 -80.4 113.6 3.0 14.3 14.6 20 20 A G T 3 S- 0 0 53 -2,-0.6 3,-0.5 1,-0.2 4,-0.3 -0.532 117.2 -2.7 81.3-131.4 5.7 16.8 14.7 21 21 A T T 3> S+ 0 0 67 -2,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.237 96.2 102.0 -86.8 5.5 8.9 16.8 12.7 22 22 A A H <> S+ 0 0 2 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.925 83.8 50.2 -60.0 -40.7 8.3 13.5 10.9 23 23 A L H > S+ 0 0 30 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.916 112.7 44.6 -63.7 -46.2 7.2 15.4 7.7 24 24 A G H > S+ 0 0 42 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.906 115.7 49.8 -65.8 -36.9 10.3 17.7 7.7 25 25 A N H X S+ 0 0 38 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.743 106.3 53.9 -75.1 -22.2 12.4 14.6 8.4 26 26 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.883 110.0 48.5 -74.2 -40.7 10.8 12.6 5.6 27 27 A K H X>S+ 0 0 45 -4,-1.9 4,-1.4 140,-0.3 5,-0.9 0.889 110.0 53.3 -64.4 -37.4 11.7 15.4 3.1 28 28 A Q H X>S+ 0 0 87 -4,-1.7 5,-2.7 3,-0.2 4,-1.1 0.960 112.0 44.5 -62.5 -50.3 15.3 15.5 4.6 29 29 A I H <5S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.937 121.0 36.1 -60.1 -50.2 15.7 11.7 4.0 30 30 A Y H <5S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.539 133.9 20.1 -87.1 -3.2 14.3 11.6 0.5 31 31 A Y H <5S+ 0 0 63 -4,-1.4 -3,-0.2 -3,-0.3 -2,-0.2 0.705 130.8 24.7-130.7 -44.4 15.5 14.8 -0.8 32 32 A Y T < S- 0 0 90 -2,-0.1 3,-1.9 1,-0.1 -1,-0.8 -0.470 92.2-104.4 -82.9 161.5 25.7 -6.6 17.5 49 49 A Q T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.712 117.5 55.1 -59.8 -21.2 25.1 -10.0 15.7 50 50 A H T 3 S+ 0 0 37 19,-0.1 18,-2.4 24,-0.1 -1,-0.3 0.129 102.6 74.4 -98.2 18.6 22.5 -8.6 13.3 51 51 A T E < - D 0 67B 1 -3,-1.9 2,-0.4 16,-0.2 16,-0.2 -0.799 63.6-148.3-125.5 164.2 24.8 -6.0 12.0 52 52 A I E - D 0 66B 3 14,-1.9 14,-2.9 -2,-0.2 2,-0.6 -0.991 19.1-148.4-130.8 131.8 27.9 -5.6 9.7 53 53 A L E -CD 45 65B 11 -8,-2.2 2,-0.9 -2,-0.4 -8,-0.5 -0.932 3.5-157.5-108.8 119.0 30.4 -2.9 10.6 54 54 A F E > - D 0 64B 11 10,-3.1 10,-2.2 -2,-0.6 3,-1.3 -0.845 17.8-149.5 -96.0 95.7 32.3 -1.3 7.8 55 55 A K T 3 S- 0 0 133 -2,-0.9 8,-0.2 1,-0.3 -2,-0.0 -0.530 77.3 -0.6 -69.8 123.5 35.4 0.1 9.5 56 56 A G T 3 S+ 0 0 45 -2,-0.3 7,-0.3 1,-0.1 -1,-0.3 0.746 81.5 149.0 69.0 25.3 36.8 3.3 7.9 57 57 A F < + 0 0 18 -3,-1.3 2,-0.4 5,-0.2 6,-0.2 0.878 54.8 72.3 -55.8 -39.5 34.0 3.2 5.2 58 58 A F 0 0 41 4,-2.4 -1,-0.0 -4,-0.2 6,-0.0 -0.697 360.0 360.0 -90.5 132.4 34.1 7.0 5.0 59 59 A T 0 0 186 -2,-0.4 -1,-0.1 0, 0.0 3,-0.1 -0.300 360.0 360.0-132.6 360.0 37.0 9.0 3.5 60 ! 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 61 64 A Y 0 0 133 0, 0.0 40,-0.2 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 127.7 31.9 9.7 10.2 62 65 A N + 0 0 58 38,-3.0 -4,-2.4 35,-0.2 2,-0.3 0.585 360.0 59.1-124.3 -17.2 34.5 7.2 9.4 63 66 A D E - e 0 101B 9 37,-2.1 39,-2.5 -7,-0.3 2,-0.5 -0.777 62.9-153.8-113.4 148.0 32.5 4.0 10.1 64 67 A L E -De 54 102B 0 -10,-2.2 -10,-3.1 -2,-0.3 2,-0.5 -0.979 7.7-162.5-120.1 120.2 29.3 2.7 8.6 65 68 A L E -De 53 103B 5 37,-3.0 39,-2.1 -2,-0.5 2,-0.5 -0.932 6.5-159.7-104.9 119.7 27.1 0.3 10.6 66 69 A V E -De 52 104B 0 -14,-2.9 -14,-1.9 -2,-0.5 2,-0.4 -0.909 4.5-156.3-104.1 132.2 24.5 -1.7 8.7 67 70 A D E -De 51 105B 25 37,-2.4 39,-1.9 -2,-0.5 2,-0.2 -0.873 11.8-178.5-112.8 130.4 21.6 -3.1 10.5 68 71 A F - 0 0 0 -18,-2.4 144,-0.2 -2,-0.4 143,-0.1 -0.652 42.6-103.1-118.7 174.2 19.5 -6.1 9.3 69 72 A D S S- 0 0 77 142,-0.8 2,-0.3 -2,-0.2 143,-0.1 0.693 94.6 -16.2 -68.5 -28.1 16.5 -8.0 10.6 70 73 A S >> - 0 0 42 -20,-0.2 4,-2.2 1,-0.1 3,-0.6 -0.998 64.8 -93.9-168.6 172.8 18.7 -10.8 11.8 71 74 A K H 3> S+ 0 0 90 -2,-0.3 4,-2.6 1,-0.2 -1,-0.1 0.855 116.5 65.4 -65.2 -34.8 21.9 -12.7 12.0 72 75 A D H 34 S+ 0 0 129 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.817 107.0 41.2 -57.9 -36.5 20.4 -15.0 9.3 73 76 A I H X> S+ 0 0 35 -3,-0.6 3,-1.5 2,-0.2 4,-0.6 0.912 110.2 57.4 -76.5 -45.9 20.5 -12.1 6.9 74 77 A V H >X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.3 3,-1.5 0.878 98.9 62.1 -49.9 -42.6 23.9 -10.9 8.2 75 78 A D H 3< S+ 0 0 88 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.746 94.1 60.5 -57.9 -29.4 25.4 -14.3 7.3 76 79 A K H <4 S+ 0 0 149 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.659 119.9 26.6 -73.3 -17.0 24.6 -14.1 3.5 77 80 A Y H X< S+ 0 0 32 -3,-1.5 3,-2.1 -4,-0.6 -34,-0.4 0.567 88.3 113.0-119.2 -19.4 26.8 -11.0 3.2 78 81 A K T 3< S+ 0 0 64 -4,-2.2 -34,-0.2 1,-0.3 3,-0.1 -0.438 96.2 2.9 -63.8 120.2 29.4 -11.2 6.0 79 82 A G T 3 S+ 0 0 37 -36,-2.1 -1,-0.3 1,-0.3 2,-0.1 0.447 110.1 112.9 84.5 0.8 32.8 -11.7 4.4 80 83 A K S < S- 0 0 114 -3,-2.1 2,-0.6 -37,-0.3 -37,-0.4 -0.445 78.7 -98.5 -98.8 171.0 31.5 -11.4 0.9 81 84 A K + 0 0 62 -2,-0.1 30,-2.2 -39,-0.1 31,-0.5 -0.856 54.8 176.0 -88.8 126.6 32.0 -8.8 -1.8 82 85 A V E -AB 41 110A 2 -41,-3.0 -41,-2.6 -2,-0.6 2,-0.3 -0.909 28.9-138.5-133.4 157.5 28.9 -6.5 -1.6 83 86 A D E - 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0 0 27 27,-1.8 3,-0.1 -2,-0.3 -2,-0.1 -0.533 15.3-120.4 -84.0 148.6 23.5 -5.6 -16.0 117 120 A T E S- 0 0 136 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.870 102.7 -9.1 -47.8 -43.8 24.0 -5.9 -19.8 118 121 A E E S- 0 0 141 24,-0.1 -1,-0.2 0, 0.0 24,-0.1 -0.970 98.8 -75.8-155.0 150.3 23.1 -2.2 -19.8 119 122 A E E - 0 0 78 -2,-0.3 2,-0.4 -3,-0.1 24,-0.2 -0.249 49.4-128.2 -52.1 133.6 21.6 0.0 -17.2 120 123 A K E -G 142 0C 55 22,-3.8 22,-2.2 24,-0.1 2,-0.7 -0.714 10.9-152.1 -89.2 126.6 17.9 -0.6 -16.6 121 124 A K E -G 141 0C 85 -2,-0.4 20,-0.3 20,-0.2 17,-0.1 -0.949 20.5-139.8 -97.5 118.9 15.5 2.3 -16.8 122 125 A V - 0 0 2 18,-3.2 18,-0.5 -2,-0.7 100,-0.1 -0.723 13.7-131.0 -83.4 115.1 12.6 1.3 -14.5 123 126 A P - 0 0 48 0, 0.0 100,-2.5 0, 0.0 2,-0.4 -0.344 20.6-158.3 -65.0 141.8 9.2 2.3 -15.9 124 127 A I E -h 223 0D 18 11,-0.3 2,-0.5 98,-0.2 11,-0.4 -0.986 8.9-159.0-125.4 129.6 6.8 4.2 -13.6 125 128 A N E -h 224 0D 39 98,-3.0 100,-3.0 -2,-0.4 2,-0.4 -0.939 20.6-169.7-101.5 123.8 3.0 4.4 -13.9 126 129 A L E -hI 225 133D 0 7,-0.8 7,-2.9 -2,-0.5 2,-0.4 -0.971 11.9-173.8-124.7 132.7 1.7 7.4 -12.0 127 130 A W E -hI 226 132D 33 98,-2.5 100,-3.0 -2,-0.4 2,-0.6 -0.984 6.0-167.6-120.4 133.5 -1.8 8.4 -11.1 128 131 A L E > S-hI 227 131D 40 3,-2.8 3,-2.4 -2,-0.4 100,-0.2 -0.970 84.4 -23.6-119.6 114.9 -2.9 11.6 -9.4 129 132 A D T 3 S- 0 0 74 98,-3.2 -1,-0.2 -2,-0.6 99,-0.1 0.896 129.8 -52.2 50.6 34.5 -6.5 11.5 -8.2 130 133 A G T 3 S+ 0 0 33 97,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.488 112.4 119.0 85.6 2.3 -6.9 8.9 -10.9 131 134 A K E < -I 128 0D 159 -3,-2.4 -3,-2.8 -127,-0.1 2,-0.3 -0.890 65.5-122.5-103.9 132.1 -5.5 10.8 -13.8 132 135 A Q E -I 127 0D 114 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.566 26.6-164.1 -78.8 131.0 -2.4 9.2 -15.3 133 136 A N E -I 126 0D 44 -7,-2.9 -7,-0.8 -2,-0.3 2,-0.3 -0.928 20.9-118.7-113.8 139.4 0.7 11.4 -15.4 134 137 A T - 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