==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 20-JUL-10 3O13 . COMPND 2 MOLECULE: SUPERANTIGEN-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS MU . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 187 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 28.3 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 19 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 12.3 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+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 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 3 0 1 2 1 0 1 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 0 1 1 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 34 A E 0 0 203 0, 0.0 2,-0.2 0, 0.0 142,-0.0 0.000 360.0 360.0 360.0 162.7 11.7 50.4 51.9 2 35 A V + 0 0 112 142,-0.0 142,-0.6 0, 0.0 2,-0.3 -0.538 360.0 176.1 -82.8 138.0 8.4 48.4 52.3 3 36 A R - 0 0 97 -2,-0.2 2,-0.0 140,-0.1 140,-0.0 -0.940 17.7-145.1-141.2 126.2 8.1 44.6 52.1 4 37 A S > - 0 0 43 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.251 30.7-106.5 -78.3 167.4 4.8 42.7 52.7 5 38 A Q H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.837 122.5 59.3 -61.6 -33.5 4.3 39.3 54.3 6 39 A A H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 105.7 46.5 -60.2 -44.7 3.5 38.1 50.7 7 40 A T H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.909 111.3 52.3 -65.3 -41.2 7.0 39.2 49.5 8 41 A Q H X S+ 0 0 72 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.870 108.4 50.6 -62.0 -40.7 8.6 37.5 52.6 9 42 A D H X S+ 0 0 91 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.868 109.2 50.9 -66.3 -37.0 6.8 34.3 51.8 10 43 A L H X S+ 0 0 13 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.942 113.4 46.6 -63.7 -44.4 8.1 34.4 48.1 11 44 A S H X S+ 0 0 9 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.922 110.6 50.6 -62.7 -47.9 11.6 35.0 49.4 12 45 A E H < S+ 0 0 54 -4,-2.7 4,-0.3 1,-0.2 3,-0.3 0.931 113.1 48.3 -58.9 -42.7 11.4 32.1 52.1 13 46 A Y H >< S+ 0 0 35 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.938 114.6 42.2 -63.4 -46.6 10.2 29.7 49.3 14 47 A Y H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.558 110.9 55.6 -85.1 -8.6 12.8 30.5 46.7 15 48 A K T 3< S+ 0 0 129 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.366 94.5 100.3 -94.8 -2.9 15.7 30.6 49.3 16 49 A G S < S- 0 0 28 -3,-0.9 2,-0.4 -4,-0.3 -3,-0.1 -0.181 87.9 -72.1 -76.8 175.4 14.7 27.1 50.3 17 50 A R + 0 0 181 -2,-0.0 52,-0.5 52,-0.0 2,-0.4 -0.523 45.5 174.3 -79.7 122.1 16.3 23.8 49.3 18 51 A G E +A 68 0A 25 -2,-0.4 2,-0.3 50,-0.1 50,-0.2 -0.996 14.2 178.0-119.5 132.6 15.8 22.6 45.8 19 52 A F E -A 67 0A 34 48,-2.0 48,-3.0 -2,-0.4 2,-0.4 -0.945 21.0-125.3-136.8 159.7 17.7 19.5 44.8 20 53 A E E -A 66 0A 66 -2,-0.3 2,-0.5 46,-0.2 46,-0.2 -0.830 4.3-159.1-107.5 140.0 18.1 17.1 41.9 21 54 A L E -A 65 0A 5 44,-2.1 44,-2.2 -2,-0.4 2,-0.4 -0.963 25.6-153.4-102.8 130.1 17.8 13.3 41.6 22 55 A T E - 0 0 89 -2,-0.5 42,-0.2 42,-0.2 40,-0.1 -0.936 63.2 -12.6-113.7 132.9 19.8 12.3 38.5 23 56 A N E S+ 0 0 87 -2,-0.4 -1,-0.2 1,-0.1 2,-0.2 0.915 93.2 155.9 47.0 58.0 19.0 9.2 36.3 24 57 A V E -A 63 0A 32 39,-2.7 39,-1.7 -3,-0.2 2,-0.4 -0.596 39.4-129.6-108.4 168.0 16.6 7.7 38.9 25 58 A T E + 0 0 61 36,-0.2 11,-0.5 -2,-0.2 2,-0.3 -0.975 28.5 170.1-118.9 135.6 13.7 5.2 38.7 26 59 A G E -A 60 0A 0 34,-2.8 34,-2.9 -2,-0.4 2,-0.4 -0.834 27.8-119.5-134.5 177.0 10.3 5.8 40.2 27 60 A Y E -AB 59 34A 123 7,-2.0 7,-2.5 -2,-0.3 2,-0.3 -0.981 20.3-141.5-131.0 124.6 6.8 4.2 40.1 28 61 A K E + B 0 33A 95 30,-2.5 2,-0.3 -2,-0.4 5,-0.2 -0.628 22.6 168.3 -87.5 137.2 3.6 5.9 38.9 29 62 A Y E > - B 0 32A 213 3,-2.5 3,-1.4 -2,-0.3 2,-0.1 -0.887 69.1 -39.9-142.6 121.8 0.2 5.5 40.5 30 63 A G T 3 S- 0 0 60 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.422 124.8 -22.7 60.0-136.1 -2.5 7.8 39.4 31 64 A N T 3 S+ 0 0 92 -3,-0.1 15,-3.2 -2,-0.1 2,-0.4 0.023 122.3 85.7 -95.0 26.2 -1.0 11.3 39.0 32 65 A K E < -BC 29 45A 77 -3,-1.4 -3,-2.5 13,-0.2 2,-0.5 -0.975 56.8-158.9-127.7 142.1 2.0 10.7 41.3 33 66 A V E -BC 28 44A 0 11,-2.4 11,-3.3 -2,-0.4 2,-0.5 -0.989 17.9-149.2-117.2 124.6 5.4 9.2 40.7 34 67 A T E -BC 27 43A 41 -7,-2.5 -7,-2.0 -2,-0.5 2,-0.4 -0.849 14.9-175.7 -99.6 130.4 7.1 8.0 43.9 35 68 A F E - C 0 42A 2 7,-2.9 7,-3.2 -2,-0.5 2,-0.5 -0.949 17.2-147.3-120.4 144.8 10.9 8.0 44.2 36 69 A I E + C 0 41A 111 -11,-0.5 2,-0.5 -2,-0.4 5,-0.2 -0.970 18.2 178.2-108.7 116.2 13.1 6.6 47.0 37 70 A D E > S- C 0 40A 53 3,-2.3 3,-2.0 -2,-0.5 2,-0.4 -0.982 71.0 -36.8-119.5 117.9 16.3 8.7 47.5 38 71 A N T 3 S- 0 0 146 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.628 124.1 -37.4 60.5-119.6 18.4 7.3 50.5 39 72 A S T 3 S+ 0 0 124 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.2 0.286 116.2 111.3-109.4 8.4 15.6 6.3 52.9 40 73 A Q E < -C 37 0A 74 -3,-2.0 -3,-2.3 36,-0.0 2,-0.4 -0.712 60.7-141.9 -92.4 124.2 13.4 9.3 52.0 41 74 A Q E -C 36 0A 74 -2,-0.5 36,-2.5 34,-0.4 2,-0.5 -0.714 17.2-169.6 -81.0 129.3 10.1 8.8 50.0 42 75 A I E -Cd 35 77A 0 -7,-3.2 -7,-2.9 -2,-0.4 2,-0.6 -0.970 5.2-164.0-122.4 115.5 9.4 11.6 47.5 43 76 A D E -Cd 34 78A 26 34,-2.4 36,-2.2 -2,-0.5 2,-0.6 -0.889 7.9-162.4 -99.9 117.0 6.0 11.8 45.8 44 77 A V E -Cd 33 79A 0 -11,-3.3 -11,-2.4 -2,-0.6 2,-0.4 -0.881 11.5-139.3-104.2 121.5 6.0 14.0 42.7 45 78 A T E -Cd 32 80A 29 34,-2.8 36,-2.5 -2,-0.6 -13,-0.2 -0.634 17.5-135.8 -78.5 128.1 2.6 15.2 41.4 46 79 A L - 0 0 32 -15,-3.2 -15,-0.0 -2,-0.4 -1,-0.0 -0.579 9.3-159.2 -82.5 147.5 2.3 15.1 37.6 47 80 A T - 0 0 42 -2,-0.2 -1,-0.1 125,-0.0 128,-0.0 0.628 38.6-115.5 -98.4 -20.4 0.8 18.1 35.8 48 81 A G S S+ 0 0 73 126,-0.1 -2,-0.0 -17,-0.0 123,-0.0 0.403 99.7 84.8 94.5 -0.3 -0.2 16.4 32.5 49 82 A N + 0 0 79 122,-0.1 127,-0.4 2,-0.0 2,-0.0 0.097 57.7 136.7-114.3 23.7 2.2 18.5 30.3 50 83 A E - 0 0 36 125,-0.1 2,-0.6 1,-0.1 125,-0.1 -0.358 52.3-139.5 -70.5 150.6 5.3 16.3 30.8 51 84 A K + 0 0 114 32,-0.3 34,-0.3 123,-0.3 2,-0.3 -0.632 48.0 149.3-107.7 70.0 7.6 15.5 27.8 52 85 A L - 0 0 58 -2,-0.6 2,-0.2 32,-0.1 3,-0.1 -0.758 55.3-100.0-108.6 147.2 8.3 11.8 28.7 53 86 A T - 0 0 109 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.475 51.4-102.7 -66.2 132.3 9.0 8.8 26.5 54 87 A V - 0 0 147 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.345 46.2-166.2 -63.9 131.8 5.8 6.7 26.1 55 88 A K - 0 0 70 2,-0.1 -1,-0.1 1,-0.1 5,-0.0 -0.710 30.5-145.0-119.8 167.1 5.7 3.5 28.3 56 89 A D S S+ 0 0 169 -2,-0.2 -1,-0.1 3,-0.1 2,-0.1 0.762 82.3 33.5 -93.3 -35.7 3.8 0.3 28.7 57 90 A D S S- 0 0 95 2,-0.2 -2,-0.1 0, 0.0 -29,-0.0 -0.115 93.2 -88.0-114.2-166.2 4.0 -0.1 32.5 58 91 A D S S+ 0 0 89 -2,-0.1 -30,-2.5 -31,-0.0 2,-0.4 0.242 86.6 111.6 -92.9 8.3 4.1 1.9 35.8 59 92 A E E -A 27 0A 82 -32,-0.2 2,-0.5 -26,-0.0 -32,-0.2 -0.720 44.8-173.0 -90.8 128.8 7.9 2.2 35.7 60 93 A V E +A 26 0A 20 -34,-2.9 -34,-2.8 -2,-0.4 2,-0.2 -0.919 23.6 162.0-120.5 100.9 9.4 5.7 35.1 61 94 A S E + 0 0 41 -2,-0.5 -36,-0.2 -36,-0.3 3,-0.1 -0.731 44.9 36.3-119.2 167.5 13.2 5.3 34.7 62 95 A N E S+ 0 0 102 -38,-0.3 24,-2.1 -2,-0.2 2,-0.3 0.887 86.9 131.7 58.7 41.6 16.1 7.3 33.3 63 96 A V E -AE 24 85A 8 -39,-1.7 -39,-2.7 22,-0.2 2,-0.4 -0.882 52.0-138.9-121.5 153.2 14.6 10.6 34.5 64 97 A D E - 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0 0 32 -24,-2.1 2,-0.1 1,-0.1 -1,-0.1 -0.298 42.7 -81.4 -72.0 156.7 18.0 12.5 32.0 87 121 A N - 0 0 33 1,-0.1 -1,-0.1 2,-0.1 31,-0.0 -0.409 24.6-151.1 -60.6 136.3 21.0 13.7 30.0 88 122 A G S S+ 0 0 62 -2,-0.1 -1,-0.1 -3,-0.1 2,-0.1 0.825 80.9 73.5 -67.8 -35.1 22.3 11.5 27.1 89 123 A T - 0 0 55 1,-0.1 30,-0.1 -3,-0.0 3,-0.1 -0.402 62.6-160.9 -83.3 160.8 25.7 13.0 27.7 90 124 A Q + 0 0 161 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 -0.029 62.3 102.8-127.0 22.1 28.1 12.3 30.7 91 125 A H - 0 0 99 2,-0.1 3,-0.1 1,-0.0 -1,-0.1 0.683 68.5-146.1 -87.5 -16.9 30.4 15.3 30.5 92 126 A K + 0 0 196 1,-0.2 2,-0.1 25,-0.1 3,-0.1 0.548 62.0 109.4 64.6 7.8 28.9 17.2 33.5 93 127 A D S S- 0 0 103 1,-0.2 -1,-0.2 24,-0.1 -2,-0.1 -0.369 79.9 -57.8-103.6-174.7 29.7 20.6 31.9 94 128 A T - 0 0 34 1,-0.1 23,-0.3 -2,-0.1 -1,-0.2 -0.341 31.2-169.8 -70.6 146.6 27.3 23.1 30.3 95 129 A V S S+ 0 0 34 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.636 81.9 13.5 -96.6 -34.0 24.9 22.2 27.5 96 130 A Q E -F 116 0B 40 20,-1.9 20,-3.1 2,-0.0 2,-0.5 -0.995 57.2-158.8-145.7 142.6 23.9 25.9 26.9 97 131 A N E -F 115 0B 77 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.917 27.4-165.9-122.1 100.0 25.3 29.3 28.0 98 132 A V E -F 114 0B 3 16,-2.4 16,-3.0 -2,-0.5 2,-0.3 -0.693 24.7-111.9 -98.8 134.9 22.5 31.8 27.7 99 133 A N E -Fg 113 184B 86 84,-0.6 86,-2.5 -2,-0.3 2,-0.5 -0.493 34.6-166.8 -58.3 121.4 22.7 35.6 27.7 100 134 A L E -Fg 112 185B 1 12,-3.0 12,-2.2 -2,-0.3 2,-0.4 -0.980 4.0-171.7-115.7 126.0 21.0 36.8 30.9 101 135 A S E -Fg 111 186B 31 84,-2.1 86,-2.7 -2,-0.5 2,-0.5 -0.978 6.1-165.6-116.5 132.1 20.1 40.6 31.1 102 136 A V E -Fg 110 187B 0 8,-3.0 8,-2.7 -2,-0.4 2,-0.3 -0.969 6.7-162.4-119.6 113.4 18.8 42.2 34.3 103 137 A S E -Fg 109 188B 45 84,-3.1 86,-3.1 -2,-0.5 2,-0.3 -0.788 12.0-177.9 -89.3 140.2 17.2 45.7 34.0 104 138 A K E F 108 0B 55 4,-2.4 4,-1.6 -2,-0.3 -2,-0.0 -0.911 360.0 360.0-134.4 158.5 16.8 48.0 37.0 105 139 A S 0 0 134 -2,-0.3 -1,-0.0 2,-0.2 84,-0.0 -0.158 360.0 360.0-115.8 360.0 15.3 51.5 37.9 106 ! 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 0.0 107 145 A T 0 0 165 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -15.0 18.2 53.2 34.0 108 146 A S E -F 104 0B 61 -4,-1.6 -4,-2.4 2,-0.0 2,-0.4 -0.984 360.0-160.6-153.2 153.2 20.7 50.3 34.1 109 147 A V E -F 103 0B 95 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.996 5.5-160.7-131.9 127.8 21.2 46.8 32.5 110 148 A T E -F 102 0B 51 -8,-2.7 -8,-3.0 -2,-0.4 2,-0.4 -0.954 9.9-164.3-110.0 128.1 23.5 44.0 33.7 111 149 A S E +F 101 0B 94 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.914 21.0 143.6-110.7 142.6 24.5 41.2 31.3 112 150 A E E -F 100 0B 61 -12,-2.2 -12,-3.0 -2,-0.4 2,-0.4 -0.907 46.8 -96.2-157.7 173.1 26.0 37.9 32.2 113 151 A Y E -F 99 0B 157 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.872 25.2-152.3 -99.9 140.2 25.9 34.3 31.1 114 152 A Y E -F 98 0B 34 -16,-3.0 -16,-2.4 -2,-0.4 2,-0.5 -0.961 15.6-141.2-111.0 119.7 23.6 31.8 32.7 115 153 A S E -F 97 0B 44 -2,-0.5 2,-0.5 -18,-0.2 -18,-0.2 -0.703 11.7-163.4 -89.4 124.3 24.9 28.2 32.4 116 154 A I E -F 96 0B 4 -20,-3.1 -21,-3.2 -2,-0.5 -20,-1.9 -0.934 8.5-176.4-107.8 125.0 22.4 25.3 31.8 117 155 A Y + 0 0 120 -2,-0.5 2,-0.4 -23,-0.3 -25,-0.1 0.579 59.7 78.2 -97.3 -12.8 23.6 21.8 32.6 118 156 A K - 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