==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 24-AUG-08 3EA6 . COMPND 2 MOLECULE: STAPHYLOCOCCAL ENTEROTOXIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR K.SHI,M.HUSEBY,P.M.SCHLIEVERT,D.H.OHLENDORF,C.A.EARHART . 215 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 23.7 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 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 4 0 4 0 0 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 . 2 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 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 3 A D >> 0 0 115 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 110.8 7.1 1.2 -25.2 2 4 A I H 3> + 0 0 101 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.741 360.0 73.9 -64.0 -22.2 5.2 -1.7 -23.6 3 5 A G H 3> S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.773 87.2 62.7 -63.0 -27.6 4.8 0.3 -20.4 4 6 A I H <> S+ 0 0 23 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.986 110.1 36.5 -60.8 -56.9 2.2 2.5 -22.1 5 7 A D H X S+ 0 0 98 -4,-0.6 4,-2.7 1,-0.2 5,-0.2 0.877 116.9 54.4 -66.4 -35.7 -0.3 -0.3 -22.7 6 8 A N H X S+ 0 0 26 -4,-2.2 4,-2.7 2,-0.2 5,-0.4 0.904 107.3 48.7 -70.2 -39.6 0.6 -2.0 -19.4 7 9 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.4 0.955 114.4 47.6 -60.1 -46.8 -0.0 1.1 -17.2 8 10 A R H X S+ 0 0 32 -4,-2.1 4,-1.7 -5,-0.3 5,-0.4 0.943 118.7 39.2 -58.4 -49.8 -3.4 1.5 -19.0 9 11 A N H X>S+ 0 0 67 -4,-2.7 5,-2.6 3,-0.2 4,-2.1 0.972 118.9 42.8 -67.5 -53.8 -4.4 -2.2 -18.6 10 12 A F H <5S+ 0 0 24 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.2 0.845 123.5 35.8 -69.7 -33.6 -3.1 -2.9 -15.1 11 13 A Y H <5S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.770 132.6 19.8 -84.8 -27.5 -4.3 0.3 -13.5 12 14 A T H <5S+ 0 0 10 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.2 0.585 128.1 25.3-128.4 -13.0 -7.5 0.9 -15.3 13 15 A K T <5S+ 0 0 153 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.696 93.2 82.5-119.6 -52.1 -9.0 -2.2 -17.0 14 16 A K S - 0 0 68 1,-0.2 3,-0.9 3,-0.1 -2,-0.1 -0.544 52.6-158.5 -77.6 120.8 8.3 -18.4 3.5 30 32 A A T 3 S+ 0 0 56 -2,-0.5 -1,-0.2 1,-0.2 22,-0.1 0.795 85.7 42.9 -70.6 -31.4 9.4 -15.1 5.3 31 33 A N T 3 S+ 0 0 55 21,-0.1 15,-2.0 14,-0.1 2,-0.4 0.307 108.2 64.2-101.2 6.9 8.7 -12.7 2.4 32 34 A Q E < -C 45 0B 32 -3,-0.9 2,-0.3 13,-0.2 13,-0.2 -0.997 51.8-164.4-137.5 140.6 5.4 -14.1 1.1 33 35 A L E -C 44 0B 0 11,-2.1 11,-2.2 -2,-0.4 2,-0.4 -0.752 20.9-154.2-106.2 160.5 1.8 -14.5 2.2 34 36 A Q E -C 43 0B 43 -2,-0.3 -9,-2.4 9,-0.2 2,-0.4 -0.992 12.9-171.1-147.5 133.5 -0.4 -16.9 0.3 35 37 A F E -C 42 0B 6 7,-2.6 7,-2.9 -2,-0.4 2,-0.3 -0.989 15.9-154.4-129.4 121.3 -4.2 -17.1 -0.2 36 38 A S E +C 41 0B 66 -2,-0.4 2,-0.3 -13,-0.4 5,-0.2 -0.695 17.4 168.8-104.2 146.7 -5.8 -20.1 -2.0 37 39 A N - 0 0 71 3,-2.2 -2,-0.0 -2,-0.3 0, 0.0 -0.827 54.3 -83.2-137.2-178.1 -9.0 -20.5 -3.9 38 40 A E S S+ 0 0 201 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.659 124.3 29.7 -67.5 -17.1 -10.3 -23.4 -6.1 39 41 A S S S- 0 0 88 1,-0.3 2,-0.3 33,-0.0 -1,-0.2 0.737 124.2 -1.9-111.1 -31.4 -8.4 -22.2 -9.2 40 42 A Y - 0 0 89 -5,-0.0 -3,-2.2 2,-0.0 2,-0.4 -0.972 56.6-116.8-152.8 167.2 -5.3 -20.5 -8.1 41 43 A D E -Cd 36 73B 45 31,-2.3 33,-1.9 -2,-0.3 2,-0.5 -0.943 22.2-146.4-107.7 136.7 -3.1 -19.2 -5.3 42 44 A L E -Cd 35 74B 4 -7,-2.9 -7,-2.6 -2,-0.4 2,-0.5 -0.904 13.3-160.6-101.1 124.7 -2.4 -15.5 -4.8 43 45 A I E -Cd 34 75B 9 31,-3.0 33,-2.4 -2,-0.5 2,-0.5 -0.930 1.2-158.4-107.1 124.6 1.1 -14.8 -3.4 44 46 A S E -Cd 33 76B 0 -11,-2.2 -11,-2.1 -2,-0.5 2,-0.4 -0.904 9.2-159.7-101.6 128.5 1.8 -11.4 -1.8 45 47 A E E +Cd 32 77B 25 31,-2.4 33,-2.4 -2,-0.5 2,-0.3 -0.906 17.4 164.1-108.1 137.3 5.4 -10.4 -1.6 46 48 A S - 0 0 1 -15,-2.0 150,-0.2 -2,-0.4 149,-0.1 -0.995 43.7-142.9-147.9 156.9 6.8 -7.8 0.8 47 49 A K S S+ 0 0 145 148,-1.9 2,-1.6 -2,-0.3 3,-0.2 0.457 86.0 91.3 -88.2 -7.7 10.0 -6.4 2.3 48 50 A D > + 0 0 57 147,-0.6 4,-2.3 1,-0.2 5,-0.2 -0.637 49.7 166.5 -89.3 79.1 8.1 -5.9 5.6 49 51 A F H > S+ 0 0 103 -2,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.845 70.8 57.3 -67.3 -32.0 9.0 -9.2 7.0 50 52 A N H > S+ 0 0 129 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.935 108.4 45.8 -64.9 -45.2 8.0 -8.3 10.5 51 53 A K H > S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.934 112.8 50.5 -59.3 -49.3 4.4 -7.4 9.4 52 54 A F H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.902 107.5 53.7 -59.4 -40.5 4.2 -10.6 7.3 53 55 A S H >< S+ 0 0 83 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.918 109.5 48.2 -59.4 -42.4 5.3 -12.6 10.4 54 56 A N H 3< S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.828 112.7 49.7 -65.2 -28.9 2.5 -11.1 12.4 55 57 A F H >< S+ 0 0 27 -4,-1.8 3,-2.4 -5,-0.1 -31,-0.3 0.567 78.5 125.5 -87.6 -10.9 0.0 -11.8 9.6 56 58 A K T << S- 0 0 32 -4,-1.0 3,-0.1 -3,-0.6 -31,-0.1 -0.254 87.4 -1.4 -56.8 129.5 1.0 -15.5 9.1 57 59 A G T 3 S+ 0 0 20 1,-0.2 -1,-0.3 -30,-0.0 2,-0.1 0.507 106.5 126.2 71.7 6.5 -2.1 -17.7 9.5 58 60 A K < - 0 0 114 -3,-2.4 -34,-2.4 -35,-0.1 2,-0.5 -0.444 70.0 -99.8 -92.5 166.4 -4.4 -14.7 10.2 59 61 A K E +A 23 0A 96 -36,-0.2 24,-0.7 -2,-0.1 2,-0.3 -0.776 57.2 169.0 -84.7 125.3 -7.6 -13.5 8.6 60 62 A L E -AB 22 82A 2 -38,-2.8 -38,-2.7 -2,-0.5 2,-0.3 -0.832 35.5-127.4-137.5 162.9 -6.7 -10.7 6.3 61 63 A D E - B 0 81A 0 20,-2.8 20,-2.5 -2,-0.3 2,-0.4 -0.908 22.8-163.2-111.3 151.1 -7.9 -8.4 3.6 62 64 A V E +AB 19 80A 0 -43,-2.4 -43,-2.8 -2,-0.3 2,-0.3 -0.998 13.3 166.6-135.0 135.0 -6.1 -8.0 0.3 63 65 A F E +A 18 0A 11 16,-2.0 2,-0.3 -2,-0.4 59,-0.2 -0.965 30.3 60.7-148.8 135.0 -6.4 -5.2 -2.3 64 66 A G E S-A 17 0A 0 -47,-1.6 -47,-2.7 -2,-0.3 2,-0.5 -0.996 79.4 -32.5 157.1-148.2 -4.4 -4.1 -5.3 65 67 A I - 0 0 3 -2,-0.3 12,-0.5 -49,-0.2 2,-0.3 -0.935 47.9-165.4-111.1 124.0 -3.0 -5.2 -8.7 66 68 A S E -E 76 0B 12 -2,-0.5 2,-0.3 -51,-0.3 10,-0.2 -0.726 1.8-158.8-101.1 159.9 -2.0 -8.8 -9.4 67 69 A Y E -E 75 0B 13 8,-2.3 8,-2.8 -2,-0.3 -2,-0.0 -0.957 33.7 -82.5-136.2 155.1 0.0 -10.1 -12.2 68 70 A N E -E 74 0B 112 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.279 40.1-170.5 -67.3 139.5 0.2 -13.6 -13.6 69 71 A G - 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