==== 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 08-NOV-06 2NTT . COMPND 2 MOLECULE: STAPHYLOCOCCAL ENTEROTOXIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR S.GUNTHER,A.K.VARMA,B.MOZA,E.J.SUNDBERG . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 23.5 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 . 4 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 . 36 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 14.3 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+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 0 2 0 0 0 2 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 . 0 0 8 0 8 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 2 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 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 Q 0 0 222 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.9 42.1 -10.1 29.6 2 2 A G - 0 0 62 1,-0.1 2,-0.8 2,-0.0 3,-0.1 -0.142 360.0 -97.0 -86.2-179.2 40.3 -7.4 27.6 3 3 A D >> - 0 0 89 1,-0.1 3,-1.7 -2,-0.0 4,-0.6 -0.892 31.7-167.4 -99.1 100.2 39.4 -7.0 24.0 4 4 A I H 3> S+ 0 0 93 -2,-0.8 4,-2.5 1,-0.3 5,-0.2 0.733 79.5 75.4 -63.7 -22.1 42.2 -4.9 22.6 5 5 A G H 3> S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.767 87.8 60.3 -57.2 -30.4 40.2 -4.4 19.5 6 6 A I H <> S+ 0 0 21 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.987 111.3 35.9 -64.4 -59.4 38.0 -1.9 21.4 7 7 A D H X S+ 0 0 97 -4,-0.6 4,-3.1 1,-0.2 5,-0.2 0.889 118.0 54.5 -60.2 -40.4 40.8 0.6 22.3 8 8 A N H X S+ 0 0 25 -4,-2.5 4,-2.9 2,-0.2 5,-0.4 0.911 108.0 47.1 -64.3 -42.6 42.5 -0.1 18.9 9 9 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-0.4 0.954 115.4 47.1 -62.9 -45.5 39.4 0.8 16.8 10 10 A R H X S+ 0 0 20 -4,-2.2 4,-1.8 -5,-0.2 5,-0.5 0.950 118.8 40.3 -59.2 -47.8 38.9 3.9 18.8 11 11 A N H X>S+ 0 0 48 -4,-3.1 5,-2.9 3,-0.2 4,-1.9 0.962 118.7 42.6 -67.1 -53.8 42.6 4.9 18.6 12 12 A F H <5S+ 0 0 25 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.846 123.5 35.9 -70.0 -32.9 43.4 4.0 15.0 13 13 A Y H <5S+ 0 0 2 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.802 133.6 17.8 -85.1 -29.4 40.1 5.4 13.5 14 14 A T H <5S+ 0 0 20 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.587 127.8 30.1-127.4 -13.3 39.5 8.5 15.7 15 15 A K T <5S+ 0 0 121 -4,-1.9 -3,-0.2 -5,-0.5 -4,-0.1 0.740 95.8 80.0-114.6 -49.1 42.6 9.6 17.7 16 16 A K S - 0 0 64 1,-0.2 3,-0.8 3,-0.1 -2,-0.1 -0.534 52.6-157.7 -76.3 118.2 58.9 -5.7 -4.2 32 32 A A T 3 S+ 0 0 57 -2,-0.5 -1,-0.2 1,-0.2 22,-0.1 0.801 85.2 40.3 -69.1 -30.2 55.8 -6.8 -6.0 33 33 A N T 3 S+ 0 0 51 21,-0.1 15,-2.3 14,-0.1 2,-0.4 0.346 108.2 65.7-104.3 4.4 53.3 -6.1 -3.2 34 34 A Q E < -C 47 0B 26 -3,-0.8 2,-0.3 13,-0.2 13,-0.2 -0.971 51.1-163.1-132.9 143.8 54.6 -2.9 -1.7 35 35 A L E -C 46 0B 0 11,-2.0 11,-2.5 -2,-0.4 2,-0.4 -0.855 22.2-150.4-110.4 158.0 55.1 0.8 -2.6 36 36 A Q E -C 45 0B 38 -2,-0.3 -9,-2.2 9,-0.2 2,-0.5 -0.993 12.8-169.6-140.9 128.0 57.4 2.8 -0.5 37 37 A F E -C 44 0B 5 7,-2.9 7,-3.0 -2,-0.4 2,-0.3 -0.965 16.7-154.2-123.5 113.6 57.4 6.5 0.3 38 38 A S E +C 43 0B 70 -2,-0.5 2,-0.3 -13,-0.4 5,-0.2 -0.663 18.8 164.7 -96.4 138.8 60.5 7.9 2.1 39 39 A N - 0 0 72 3,-2.1 -2,-0.0 -2,-0.3 0, 0.0 -0.820 52.9 -87.5-135.5-176.8 60.8 10.9 4.3 40 40 A E S S+ 0 0 206 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.728 123.5 31.7 -66.7 -24.4 63.5 12.3 6.8 41 41 A S S S- 0 0 91 1,-0.3 2,-0.3 33,-0.0 -1,-0.2 0.795 126.6 -11.4-101.7 -39.0 62.1 10.3 9.7 42 42 A Y - 0 0 85 -5,-0.1 -3,-2.1 2,-0.0 2,-0.5 -0.957 57.3-110.1-154.8 168.5 60.7 7.1 8.3 43 43 A D E -Cd 38 75B 46 31,-2.2 33,-2.0 -2,-0.3 2,-0.6 -0.944 26.9-145.4-104.7 130.0 59.6 5.1 5.2 44 44 A L E -Cd 37 76B 3 -7,-3.0 -7,-2.9 -2,-0.5 2,-0.6 -0.875 14.9-159.2 -93.6 126.1 55.9 4.5 4.7 45 45 A I E -Cd 36 77B 11 31,-3.0 33,-2.2 -2,-0.6 2,-0.5 -0.933 1.6-158.6-111.6 116.6 55.2 1.2 3.2 46 46 A S E -Cd 35 78B 0 -11,-2.5 -11,-2.0 -2,-0.6 2,-0.4 -0.841 8.4-159.9 -94.3 131.0 51.9 0.5 1.4 47 47 A E E +Cd 34 79B 42 31,-2.5 33,-2.6 -2,-0.5 2,-0.3 -0.909 15.7 167.4-110.7 138.8 50.8 -3.1 1.0 48 48 A S - 0 0 5 -15,-2.3 150,-0.2 -2,-0.4 149,-0.1 -0.989 40.7-145.5-145.7 154.6 48.3 -4.3 -1.5 49 49 A K S S+ 0 0 134 148,-2.0 2,-1.3 -2,-0.3 3,-0.2 0.418 86.3 90.1 -91.5 -3.9 47.0 -7.5 -3.1 50 50 A D > + 0 0 56 147,-0.6 4,-2.2 1,-0.2 5,-0.2 -0.685 51.1 168.6 -90.9 80.9 46.5 -5.6 -6.4 51 51 A F H > S+ 0 0 110 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.836 72.4 57.2 -64.8 -33.8 50.0 -6.4 -7.8 52 52 A N H > S+ 0 0 115 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.935 108.7 45.0 -64.2 -45.9 49.0 -5.1 -11.2 53 53 A K H > S+ 0 0 40 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.947 113.6 50.0 -61.7 -47.8 48.0 -1.7 -9.9 54 54 A F H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.882 107.4 54.3 -61.2 -36.5 51.1 -1.5 -7.8 55 55 A S H >< S+ 0 0 78 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.916 108.8 48.9 -60.9 -43.5 53.3 -2.4 -10.8 56 56 A N H 3< S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.809 111.2 51.1 -64.0 -30.8 51.7 0.5 -12.8 57 57 A F H >< S+ 0 0 29 -4,-1.7 3,-2.3 -5,-0.1 -31,-0.3 0.559 78.6 127.8 -84.2 -11.5 52.4 2.9 -9.9 58 58 A K T << S- 0 0 35 -4,-0.8 3,-0.1 -3,-0.8 -23,-0.1 -0.248 84.6 -1.1 -55.8 126.8 56.0 2.0 -9.5 59 59 A G T 3 S+ 0 0 19 1,-0.2 -1,-0.3 -30,-0.0 2,-0.2 0.534 105.2 127.7 71.8 8.9 58.2 5.1 -9.5 60 60 A K < - 0 0 117 -3,-2.3 -34,-2.6 -35,-0.1 2,-0.4 -0.553 69.2-105.4 -91.8 158.0 55.3 7.4 -10.0 61 61 A K E +A 25 0A 100 -36,-0.3 24,-0.7 -2,-0.2 2,-0.3 -0.753 55.4 171.6 -76.1 129.5 54.2 10.5 -8.0 62 62 A L E -AB 24 84A 1 -38,-2.7 -38,-2.9 -2,-0.4 2,-0.4 -0.878 35.4-121.3-141.8 161.7 51.1 9.4 -6.0 63 63 A D E - B 0 83A 0 20,-2.8 20,-2.5 -2,-0.3 2,-0.4 -0.882 25.4-165.9-104.5 143.8 48.7 10.4 -3.2 64 64 A V E +AB 21 82A 0 -43,-2.5 -43,-2.9 -2,-0.4 2,-0.3 -0.998 12.9 165.5-132.7 130.2 48.4 8.2 -0.1 65 65 A F E +A 20 0A 8 16,-1.8 2,-0.3 -2,-0.4 59,-0.2 -0.982 29.8 59.8-145.8 133.8 45.6 8.5 2.5 66 66 A G E S-A 19 0A 0 -47,-1.7 -47,-2.7 -2,-0.3 2,-0.5 -0.998 79.8 -30.6 157.9-147.6 44.5 6.2 5.4 67 67 A I - 0 0 3 -2,-0.3 12,-0.5 -49,-0.2 2,-0.3 -0.924 48.1-165.6-111.1 124.0 45.6 4.6 8.6 68 68 A S E -E 78 0B 12 -2,-0.5 2,-0.3 -51,-0.3 10,-0.2 -0.692 1.1-165.1-101.1 158.5 49.2 3.6 9.3 69 69 A Y E -E 77 0B 22 8,-2.3 8,-3.2 -2,-0.3 2,-0.1 -0.917 35.3 -72.4-139.7 166.5 50.6 1.4 12.0 70 70 A N E -E 76 0B 111 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.299 41.1-175.7 -72.9 135.0 54.1 0.8 13.3 71 71 A G - 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