==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 28-JUL-98 2LKF . COMPND 2 MOLECULE: LEUKOCIDIN F SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.OLSON,H.NARIYA,K.YOKOTA,Y.KAMIO,J.E.GOUAUX . 296 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 49.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 39 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 1 0 1 1 2 2 0 1 1 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 1 0 0 1 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 E 0 0 140 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 -72.2 0.5 28.4 30.0 2 2 A G - 0 0 32 24,-0.1 2,-0.2 2,-0.0 24,-0.1 -0.965 360.0-162.3-174.2 166.2 1.4 25.8 32.6 3 3 A K - 0 0 151 -2,-0.3 21,-0.8 19,-0.1 2,-0.3 -0.706 28.3 -82.2-146.3-169.0 2.8 25.4 36.1 4 4 A I B -A 23 0A 41 -2,-0.2 19,-0.2 19,-0.2 3,-0.1 -0.845 37.3-130.3-104.7 141.8 4.4 23.1 38.8 5 5 A T - 0 0 65 17,-1.3 17,-0.1 -2,-0.3 3,-0.1 -0.664 32.6 -97.6 -91.6 148.1 2.3 20.8 41.1 6 6 A P - 0 0 117 0, 0.0 16,-0.1 0, 0.0 -1,-0.1 -0.295 53.8 -88.7 -59.6 151.0 2.8 20.7 44.9 7 7 A V - 0 0 46 14,-0.1 2,-0.4 12,-0.1 14,-0.2 -0.367 41.7-151.2 -63.8 137.1 5.1 17.9 46.0 8 8 A S E -B 20 0A 56 12,-1.7 12,-2.2 -3,-0.1 2,-0.4 -0.931 8.5-141.8-111.0 140.6 3.2 14.6 46.8 9 9 A V E +B 19 0A 100 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.852 20.4 175.9-109.1 137.9 4.5 12.2 49.4 10 10 A K E -B 18 0A 130 8,-1.8 8,-2.0 -2,-0.4 2,-0.1 -0.800 15.8-156.8-141.0 91.6 4.5 8.4 49.2 11 11 A K E +B 17 0A 124 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.416 21.2 165.6 -67.1 145.1 6.2 6.6 52.0 12 12 A V - 0 0 50 4,-2.0 2,-0.3 1,-0.5 5,-0.2 0.517 62.1 -3.7-126.5 -39.8 7.3 3.0 51.1 13 13 A D S S- 0 0 54 3,-2.5 -1,-0.5 1,-0.1 122,-0.0 -0.863 70.3 -98.0-147.3 179.3 9.7 2.2 54.0 14 14 A D S S+ 0 0 129 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.796 133.1 30.6 -71.1 -26.8 11.5 3.4 57.1 15 15 A K S S+ 0 0 92 1,-0.2 29,-0.8 28,-0.1 2,-0.5 0.893 115.7 58.1 -94.5 -52.9 14.2 3.9 54.5 16 16 A V E + C 0 43A 0 27,-0.2 -3,-2.5 28,-0.1 -4,-2.0 -0.758 52.6 165.7 -95.4 123.2 12.5 4.7 51.1 17 17 A T E -BC 11 42A 14 25,-2.4 25,-2.4 -2,-0.5 2,-0.4 -0.959 21.4-145.3-131.8 144.9 10.1 7.6 50.5 18 18 A L E -BC 10 41A 19 -8,-2.0 -8,-1.8 -2,-0.3 2,-0.5 -0.956 9.2-167.9-118.6 128.8 8.9 9.0 47.1 19 19 A Y E -BC 9 40A 53 21,-2.1 21,-2.6 -2,-0.4 2,-0.4 -0.935 7.4-166.8-117.9 126.5 8.2 12.7 46.2 20 20 A K E +BC 8 39A 71 -12,-2.2 -12,-1.7 -2,-0.5 2,-0.3 -0.934 15.9 160.8-121.2 131.8 6.4 13.7 43.1 21 21 A T E - C 0 38A 1 17,-1.4 17,-2.4 -2,-0.4 2,-0.4 -0.957 22.5-148.9-140.2 145.4 6.0 17.1 41.4 22 22 A T E - C 0 37A 32 -2,-0.3 -17,-1.3 15,-0.2 2,-0.3 -0.984 6.8-163.8-124.8 125.7 5.1 17.7 37.8 23 23 A A E -AC 4 36A 0 13,-2.9 13,-3.3 -2,-0.4 2,-0.4 -0.806 3.3-167.3-107.2 148.2 6.1 20.7 35.6 24 24 A T E + C 0 35A 43 -21,-0.8 2,-0.4 -2,-0.3 11,-0.2 -0.984 8.1 174.9-138.4 122.7 4.5 21.7 32.3 25 25 A A E - C 0 34A 5 9,-1.1 9,-2.9 -2,-0.4 2,-0.4 -0.996 11.1-163.1-129.6 135.6 5.8 24.2 29.7 26 26 A D E - C 0 33A 68 -2,-0.4 2,-0.6 7,-0.2 7,-0.2 -0.926 21.1-160.8-125.1 145.2 4.3 24.9 26.4 27 27 A S E > + C 0 32A 2 5,-2.9 5,-1.9 -2,-0.4 4,-0.4 -0.968 15.2 179.6-116.5 98.8 5.4 26.5 23.1 28 28 A D T 5S+ 0 0 91 -2,-0.6 -1,-0.1 3,-0.2 3,-0.1 0.830 79.9 57.5 -72.8 -29.3 2.0 27.4 21.5 29 29 A K T 5S+ 0 0 138 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.990 118.5 29.5 -62.7 -56.8 3.8 28.9 18.6 30 30 A F T 5S- 0 0 8 2,-0.1 30,-0.5 241,-0.1 -1,-0.2 0.379 105.6-126.4 -84.0 0.6 5.7 25.6 17.7 31 31 A K T 5 + 0 0 126 -4,-0.4 29,-1.4 1,-0.2 2,-0.4 0.912 61.0 142.0 52.9 46.0 2.9 23.4 19.2 32 32 A I E < -CD 27 59A 1 -5,-1.9 -5,-2.9 27,-0.2 2,-0.5 -0.979 30.3-170.1-117.6 130.3 5.4 21.6 21.4 33 33 A S E -CD 26 58A 25 25,-3.3 25,-3.1 -2,-0.4 2,-0.3 -0.989 2.8-163.5-126.0 117.8 4.2 20.7 24.9 34 34 A Q E -CD 25 57A 0 -9,-2.9 -9,-1.1 -2,-0.5 2,-0.4 -0.767 5.3-174.2 -99.2 148.2 6.6 19.3 27.6 35 35 A I E -CD 24 56A 51 21,-1.5 21,-2.8 -2,-0.3 2,-0.6 -0.921 7.2-168.7-141.8 110.1 5.3 17.5 30.7 36 36 A L E -CD 23 55A 0 -13,-3.3 -13,-2.9 -2,-0.4 2,-0.7 -0.902 6.5-168.9-112.8 113.8 8.0 16.7 33.2 37 37 A T E -CD 22 54A 19 17,-2.4 17,-2.3 -2,-0.6 2,-0.5 -0.856 9.9-159.3-101.4 111.6 7.3 14.3 36.1 38 38 A F E -CD 21 53A 0 -17,-2.4 -17,-1.4 -2,-0.7 2,-0.6 -0.783 5.4-168.9 -93.3 123.0 10.1 14.3 38.8 39 39 A N E -CD 20 52A 6 13,-1.3 13,-2.5 -2,-0.5 2,-0.5 -0.910 5.3-163.0-116.1 101.4 10.3 11.3 41.1 40 40 A F E -CD 19 51A 0 -21,-2.6 -21,-2.1 -2,-0.6 2,-0.7 -0.743 3.9-161.8 -84.8 123.7 12.7 11.9 44.0 41 41 A I E -CD 18 50A 0 9,-3.1 9,-1.4 -2,-0.5 2,-0.8 -0.883 5.4-170.2-113.4 103.1 13.6 8.6 45.7 42 42 A K E +C 17 0A 37 -25,-2.4 -25,-2.4 -2,-0.7 2,-0.5 -0.822 10.5 176.3 -94.3 109.5 15.1 9.0 49.1 43 43 A D E > -C 16 0A 7 -2,-0.8 3,-1.1 5,-0.3 5,-0.3 -0.972 21.9-160.2-116.8 120.3 16.5 5.7 50.2 44 44 A K T 3 S+ 0 0 164 -29,-0.8 -1,-0.1 -2,-0.5 -28,-0.1 0.704 90.4 61.4 -71.8 -20.0 18.2 5.6 53.6 45 45 A S T 3 S+ 0 0 59 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.135 99.7 63.2 -93.6 19.6 20.0 2.3 52.7 46 46 A Y S < S- 0 0 75 -3,-1.1 -3,-0.2 -31,-0.1 74,-0.1 -0.990 75.1-138.6-141.7 137.2 21.8 3.9 49.7 47 47 A D S S+ 0 0 122 -2,-0.3 2,-0.3 72,-0.2 184,-0.2 -0.006 81.9 70.2 -87.8 32.8 24.4 6.8 49.8 48 48 A K S S- 0 0 49 -5,-0.3 -5,-0.3 182,-0.1 2,-0.3 -0.988 74.8-130.5-152.1 133.2 22.9 8.5 46.7 49 49 A D E - E 0 229A 13 180,-2.6 180,-2.3 -2,-0.3 2,-0.4 -0.634 28.2-150.8 -80.3 141.2 19.7 10.4 46.0 50 50 A T E -DE 41 228A 4 -9,-1.4 -9,-3.1 -2,-0.3 2,-0.5 -0.942 12.7-168.4-120.9 138.1 18.0 9.2 42.9 51 51 A L E -DE 40 227A 0 176,-3.1 176,-3.0 -2,-0.4 2,-0.8 -0.984 2.6-167.1-125.5 115.0 15.8 11.3 40.6 52 52 A V E -DE 39 226A 0 -13,-2.5 -13,-1.3 -2,-0.5 2,-0.5 -0.914 13.5-168.7-104.7 101.1 13.8 9.4 38.0 53 53 A L E -DE 38 225A 0 172,-3.2 172,-3.1 -2,-0.8 2,-0.6 -0.835 5.2-164.0 -94.6 127.9 12.5 12.0 35.5 54 54 A K E -DE 37 224A 25 -17,-2.3 -17,-2.4 -2,-0.5 2,-0.5 -0.949 4.2-159.4-116.9 117.7 9.8 11.1 33.0 55 55 A A E +DE 36 223A 0 168,-2.6 168,-2.0 -2,-0.6 -19,-0.2 -0.823 23.7 152.4-102.3 121.1 9.3 13.4 30.1 56 56 A T E +D 35 0A 26 -21,-2.8 -21,-1.5 -2,-0.5 2,-0.4 -0.520 18.2 96.1-126.6-166.4 6.0 13.2 28.2 57 57 A G E -D 34 0A 13 164,-0.4 2,-0.3 -23,-0.2 -23,-0.2 -0.933 66.0 -63.2 124.2-139.2 3.9 15.7 26.2 58 58 A N E -D 33 0A 36 -25,-3.1 -25,-3.3 -2,-0.4 2,-0.5 -0.987 20.6-162.9-159.6 144.1 3.8 16.4 22.5 59 59 A I E -DF 32 219A 0 160,-2.6 160,-2.5 -2,-0.3 -27,-0.2 -0.994 30.1-131.6-126.7 117.5 5.8 17.6 19.5 60 60 A N E - F 0 218A 42 -29,-1.4 158,-0.2 -30,-0.5 157,-0.1 -0.423 11.7-128.5 -69.9 147.7 3.8 18.7 16.5 61 61 A S - 0 0 1 156,-2.1 157,-0.1 152,-0.1 20,-0.1 0.862 23.4-141.6 -61.1 -43.7 4.8 17.4 13.1 62 62 A G + 0 0 15 155,-0.4 -1,-0.1 1,-0.2 154,-0.1 0.353 35.1 175.8 89.2 -0.0 4.9 20.8 11.5 63 63 A F - 0 0 33 154,-0.2 2,-0.6 152,-0.1 -1,-0.2 -0.079 17.1-166.2 -46.1 119.2 3.4 19.2 8.4 64 64 A V B -H 77 0B 78 13,-1.8 13,-1.7 -3,-0.1 -1,-0.1 -0.948 17.5-140.1-111.8 108.4 2.6 21.7 5.6 65 65 A K - 0 0 152 -2,-0.6 2,-0.2 11,-0.2 10,-0.1 -0.046 22.5 -99.7 -64.6 164.6 0.4 20.2 2.9 66 66 A P - 0 0 22 0, 0.0 10,-0.1 0, 0.0 -1,-0.1 -0.642 28.9-112.8 -89.1 150.1 0.9 20.8 -0.8 67 67 A N > - 0 0 82 8,-0.3 3,-1.4 -2,-0.2 135,-0.2 -0.711 24.3-144.0 -76.3 120.7 -1.2 23.2 -2.9 68 68 A P T 3 S+ 0 0 63 0, 0.0 135,-0.2 0, 0.0 132,-0.1 0.596 91.2 65.9 -66.5 -8.3 -3.2 21.1 -5.3 69 69 A N T 3 + 0 0 122 133,-0.1 2,-0.4 132,-0.1 132,-0.1 0.424 68.2 113.8 -93.1 -0.3 -3.0 23.5 -8.2 70 70 A D < - 0 0 49 -3,-1.4 132,-1.7 1,-0.1 131,-0.6 -0.614 47.8-169.3 -71.1 124.4 0.8 23.2 -8.7 71 71 A Y + 0 0 129 -2,-0.4 130,-0.9 129,-0.3 -1,-0.1 0.955 69.3 5.4 -87.5 -53.6 1.3 21.7 -12.1 72 72 A D S S+ 0 0 75 1,-0.3 182,-2.3 128,-0.2 2,-0.4 0.711 128.7 34.3-105.1 -23.6 4.9 20.6 -12.7 73 73 A F E + I 0 253B 63 180,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.999 63.6 164.4-133.8 134.7 6.6 21.2 -9.4 74 74 A S E - 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