==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 28-JUL-98 1LKF . COMPND 2 MOLECULE: LEUKOCIDIN F SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.OLSON,H.NARIYA,K.YOKOTA,Y.KAMIO,J.E.GOUAUX . 292 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 72.6 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 . 144 49.3 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 . 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 . 34 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 . 6 1 1 1 2 1 2 1 0 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 69 0, 0.0 25,-0.8 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 113.3 1.9 30.9 81.9 2 2 A G E -A 25 0A 55 23,-0.2 2,-0.3 2,-0.0 23,-0.2 -0.786 360.0 -69.6-172.8-140.3 3.7 33.0 79.2 3 3 A K E -A 24 0A 144 21,-0.5 21,-2.3 -2,-0.2 2,-0.4 -0.921 17.2-136.4-144.8 167.6 4.7 33.3 75.6 4 4 A I E -A 23 0A 65 -2,-0.3 19,-0.2 19,-0.2 -2,-0.0 -0.992 24.4-136.6-129.2 121.6 6.9 32.0 72.8 5 5 A T - 0 0 47 17,-2.6 2,-0.1 -2,-0.4 3,-0.1 -0.245 30.8-100.0 -72.6 160.3 8.8 34.4 70.4 6 6 A P - 0 0 119 0, 0.0 16,-0.2 0, 0.0 2,-0.2 -0.430 51.9 -83.6 -74.8 167.4 8.8 33.7 66.7 7 7 A V - 0 0 46 14,-0.1 2,-0.4 -2,-0.1 14,-0.2 -0.474 36.4-156.2 -77.4 133.5 11.9 32.1 65.2 8 8 A S E -B 20 0A 65 12,-2.5 12,-2.5 -2,-0.2 2,-0.4 -0.846 13.6-150.7-103.0 143.9 14.9 34.2 64.3 9 9 A V E -B 19 0A 104 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.947 14.9-175.7-119.9 143.0 17.2 32.7 61.7 10 10 A K E -B 18 0A 128 8,-2.8 8,-3.5 -2,-0.4 2,-0.6 -0.914 14.5-152.3-139.5 106.3 20.9 33.2 61.3 11 11 A K E +B 17 0A 141 -2,-0.4 6,-0.2 6,-0.3 3,-0.1 -0.729 17.3 179.1 -79.5 120.5 22.7 31.7 58.3 12 12 A V - 0 0 41 4,-2.1 -1,-0.2 -2,-0.6 5,-0.2 0.940 63.6 -24.5 -83.4 -72.1 26.3 31.1 59.4 13 13 A D S S- 0 0 95 3,-1.0 118,-0.0 118,-0.0 0, 0.0 0.120 83.7 -85.6-112.0-132.6 28.1 29.5 56.4 14 14 A D S S+ 0 0 66 -2,-0.1 3,-0.1 -3,-0.1 30,-0.0 0.307 129.3 50.4-121.9 -4.5 26.3 27.6 53.7 15 15 A K S S+ 0 0 27 1,-0.2 29,-2.6 28,-0.1 2,-0.4 0.760 109.2 48.5-100.6 -40.2 26.5 24.4 55.9 16 16 A V E + C 0 43A 0 27,-0.2 -4,-2.1 28,-0.1 -3,-1.0 -0.892 54.6 178.7-112.6 136.7 25.2 25.8 59.2 17 17 A T E -BC 11 42A 20 25,-1.9 25,-2.2 -2,-0.4 2,-0.4 -0.999 18.4-146.5-133.1 127.6 22.0 27.8 59.9 18 18 A L E -BC 10 41A 25 -8,-3.5 -8,-2.8 -2,-0.4 2,-0.4 -0.852 12.1-169.0 -97.9 136.2 21.1 28.8 63.5 19 19 A Y E -BC 9 40A 49 21,-2.4 21,-3.2 -2,-0.4 2,-0.4 -0.983 6.6-169.6-124.2 133.1 17.4 29.1 64.5 20 20 A K E +BC 8 39A 80 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.3 -0.975 14.4 163.7-132.9 140.4 16.4 30.7 67.8 21 21 A T E - C 0 38A 2 17,-1.5 17,-2.9 -2,-0.4 2,-0.5 -0.978 20.7-147.9-150.8 136.7 13.1 30.9 69.8 22 22 A T E - C 0 37A 32 -2,-0.3 -17,-2.6 -16,-0.2 2,-0.4 -0.935 9.4-166.3-115.2 129.8 12.5 31.8 73.4 23 23 A A E -AC 4 36A 0 13,-2.9 13,-3.2 -2,-0.5 2,-0.4 -0.871 2.0-162.7-113.4 141.9 9.8 30.5 75.6 24 24 A T E +AC 3 35A 35 -21,-2.3 -21,-0.5 -2,-0.4 2,-0.4 -0.997 10.9 174.1-128.5 122.7 8.7 31.9 78.9 25 25 A A E -AC 2 34A 0 9,-1.8 9,-2.4 -2,-0.4 2,-0.3 -0.997 14.7-170.8-129.1 126.0 6.6 30.0 81.5 26 26 A D E - C 0 33A 45 -25,-0.8 2,-0.5 -2,-0.4 7,-0.2 -0.871 26.9-155.5-122.8 157.1 5.9 31.5 84.9 27 27 A S E >> - C 0 32A 2 5,-2.8 5,-1.7 -2,-0.3 4,-0.8 -0.962 11.0-178.2-125.2 100.2 4.5 30.7 88.3 28 28 A D T 45S+ 0 0 144 -2,-0.5 3,-0.4 3,-0.2 -1,-0.2 0.910 84.2 56.2 -64.6 -39.2 3.3 34.0 89.9 29 29 A K T 45S+ 0 0 138 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.913 116.5 31.2 -58.8 -50.9 2.3 32.0 93.0 30 30 A F T 45S- 0 0 6 2,-0.1 30,-0.3 237,-0.0 -1,-0.2 0.474 105.1-123.5 -88.8 -2.2 5.8 30.4 93.6 31 31 A K T <5 + 0 0 135 -4,-0.8 29,-1.7 -3,-0.4 2,-0.4 0.928 63.8 141.7 57.4 44.6 7.7 33.4 92.2 32 32 A I E < -CD 27 59A 2 -5,-1.7 -5,-2.8 27,-0.2 2,-0.4 -0.974 31.1-170.0-117.9 131.6 9.5 31.1 89.7 33 33 A S E -CD 26 58A 31 25,-3.2 25,-2.3 -2,-0.4 2,-0.5 -0.986 5.3-160.3-126.1 125.0 10.2 32.3 86.2 34 34 A Q E -CD 25 57A 0 -9,-2.4 -9,-1.8 -2,-0.4 2,-0.6 -0.923 7.5-177.3-108.0 125.0 11.5 30.1 83.4 35 35 A I E -CD 24 56A 56 21,-2.4 21,-3.3 -2,-0.5 2,-0.6 -0.979 10.3-173.1-120.9 111.6 13.2 31.6 80.3 36 36 A L E -CD 23 55A 0 -13,-3.2 -13,-2.9 -2,-0.6 2,-0.7 -0.933 7.8-167.0-114.4 113.2 14.1 28.9 77.8 37 37 A T E -CD 22 54A 18 17,-2.9 17,-2.6 -2,-0.6 2,-0.7 -0.889 6.8-159.8-103.8 112.4 16.1 29.8 74.8 38 38 A F E -CD 21 53A 0 -17,-2.9 -17,-1.5 -2,-0.7 2,-0.7 -0.839 5.5-170.5 -96.0 112.7 16.1 27.1 72.1 39 39 A N E -CD 20 52A 6 13,-2.6 13,-3.0 -2,-0.7 2,-0.5 -0.904 7.8-160.7-105.3 103.3 19.0 27.4 69.7 40 40 A F E -CD 19 51A 1 -21,-3.2 -21,-2.4 -2,-0.7 2,-0.6 -0.768 1.3-160.2 -87.5 129.9 18.6 24.9 66.8 41 41 A I E -CD 18 50A 0 9,-3.4 9,-1.8 -2,-0.5 2,-0.7 -0.925 5.9-170.9-115.0 107.2 21.7 24.1 64.8 42 42 A K E +C 17 0A 41 -25,-2.2 -25,-1.9 -2,-0.6 2,-0.5 -0.903 11.5 176.1 -99.2 112.2 21.2 22.7 61.3 43 43 A D E > -C 16 0A 4 -2,-0.7 3,-2.0 5,-0.4 5,-0.3 -0.947 22.7-162.6-123.1 108.9 24.6 21.5 60.0 44 44 A K T 3 S+ 0 0 164 -29,-2.6 -28,-0.1 -2,-0.5 -1,-0.1 0.700 91.1 62.6 -63.3 -18.1 24.7 19.8 56.6 45 45 A S T 3 S+ 0 0 73 -30,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.332 99.7 62.9 -89.3 5.7 28.2 18.4 57.5 46 46 A Y S < S- 0 0 16 -3,-2.0 -3,-0.2 2,-0.1 74,-0.1 -0.991 73.5-138.6-133.5 142.4 26.9 16.4 60.5 47 47 A D S S+ 0 0 124 -2,-0.4 2,-0.3 72,-0.2 -3,-0.1 0.127 83.3 66.7 -86.8 25.3 24.4 13.5 60.6 48 48 A K S S- 0 0 84 -5,-0.3 2,-0.4 179,-0.1 -5,-0.4 -0.980 75.4-128.5-143.2 146.9 22.6 14.9 63.8 49 49 A D E - E 0 225A 19 176,-2.3 176,-2.3 -2,-0.3 2,-0.4 -0.832 28.5-149.1 -94.0 137.0 20.5 17.9 64.6 50 50 A T E -DE 41 224A 10 -9,-1.8 -9,-3.4 -2,-0.4 2,-0.5 -0.909 13.5-169.7-115.4 137.2 21.7 19.8 67.6 51 51 A L E -DE 40 223A 0 172,-2.6 172,-2.7 -2,-0.4 2,-0.7 -0.995 4.8-164.0-124.5 120.3 19.6 21.8 70.0 52 52 A V E -DE 39 222A 0 -13,-3.0 -13,-2.6 -2,-0.5 2,-0.6 -0.939 11.6-166.3-107.4 105.9 21.3 24.1 72.5 53 53 A L E -DE 38 221A 0 168,-2.8 168,-2.2 -2,-0.7 2,-0.6 -0.863 5.2-164.3 -96.2 120.7 18.8 24.9 75.2 54 54 A K E -DE 37 220A 26 -17,-2.6 -17,-2.9 -2,-0.6 2,-0.6 -0.944 7.0-161.2-105.2 119.3 19.8 27.8 77.6 55 55 A A E +DE 36 219A 0 164,-3.2 164,-2.2 -2,-0.6 -19,-0.2 -0.903 26.3 144.5-105.3 119.1 17.6 27.8 80.7 56 56 A T E +D 35 0A 22 -21,-3.3 -21,-2.4 -2,-0.6 2,-0.4 -0.625 13.4 93.2-133.0-166.3 17.5 31.1 82.7 57 57 A G E -D 34 0A 12 160,-0.5 2,-0.3 -23,-0.2 -23,-0.2 -0.940 68.8 -48.9 123.2-136.8 15.1 33.1 84.7 58 58 A N E -D 33 0A 39 -25,-2.3 -25,-3.2 -2,-0.4 2,-0.4 -0.998 25.2-171.3-149.9 144.4 14.4 33.2 88.4 59 59 A I E -DF 32 215A 0 156,-2.3 156,-2.5 -2,-0.3 -27,-0.2 -0.938 28.3-137.9-134.1 107.8 13.7 31.0 91.4 60 60 A N E - F 0 214A 35 -29,-1.7 154,-0.3 -2,-0.4 153,-0.1 -0.280 12.3-129.7 -62.7 152.6 12.6 32.8 94.6 61 61 A S - 0 0 1 152,-2.1 153,-0.2 148,-0.1 19,-0.1 0.754 25.3-136.1 -75.5 -26.2 14.2 31.6 97.8 62 62 A G + 0 0 9 151,-0.4 152,-0.1 1,-0.2 150,-0.1 0.685 39.8 174.6 75.9 17.4 10.8 31.4 99.6 63 63 A F - 0 0 36 150,-0.3 2,-0.4 13,-0.1 15,-0.2 -0.276 15.5-164.8 -59.4 135.2 12.5 33.0 102.6 64 64 A V B -H 77 0B 75 13,-2.1 13,-1.5 -3,-0.1 -1,-0.0 -0.985 16.9-130.0-126.6 120.2 10.2 33.8 105.5 65 65 A K - 0 0 157 -2,-0.4 10,-0.1 11,-0.2 2,-0.0 -0.227 30.2-104.5 -61.1 157.1 11.4 36.2 108.3 66 66 A P - 0 0 28 0, 0.0 10,-0.1 0, 0.0 -1,-0.1 -0.368 34.8-103.5 -80.9 161.9 10.9 35.1 111.9 67 67 A N > - 0 0 80 8,-0.3 3,-1.9 1,-0.1 131,-0.1 -0.813 27.7-145.3 -82.5 117.1 8.1 36.6 114.1 68 68 A P T 3 S+ 0 0 59 0, 0.0 130,-0.2 0, 0.0 131,-0.2 0.677 94.2 63.4 -61.1 -11.8 10.1 39.1 116.3 69 69 A N T 3 S+ 0 0 120 129,-0.1 2,-0.4 128,-0.1 128,-0.1 0.530 70.1 113.0 -91.1 -4.5 7.7 38.4 119.2 70 70 A D < - 0 0 47 -3,-1.9 128,-3.0 1,-0.2 129,-0.3 -0.542 46.7-175.3 -67.5 121.7 8.6 34.7 119.5 71 71 A Y + 0 0 136 -2,-0.4 126,-1.5 125,-0.3 -1,-0.2 0.952 69.0 7.3 -90.3 -59.8 10.3 34.6 122.9 72 72 A D S S+ 0 0 73 1,-0.2 178,-2.7 124,-0.2 2,-0.3 0.596 131.4 34.5-101.2 -11.1 11.8 31.1 123.7 73 73 A F E + I 0 249B 73 176,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.996 65.6 159.1-144.9 134.1 11.3 29.4 120.4 74 74 A S E - I 0 248B 0 174,-2.3 174,-2.5 -2,-0.3 2,-0.3 -0.992 12.9-167.6-153.1 159.4 11.4 30.8 116.8 75 75 A K E - I 0 247B 85 -2,-0.3 -8,-0.3 172,-0.2 2,-0.3 -0.967 5.2-169.1-148.3 160.7 11.9 29.7 113.3 76 76 A L E - I 0 246B 4 170,-2.4 170,-2.7 -2,-0.3 2,-0.4 -0.908 20.3-130.4-144.3 158.8 12.5 31.0 109.8 77 77 A Y E -HI 64 245B 21 -13,-1.5 -13,-2.1 -2,-0.3 2,-0.3 -0.951 27.7-177.2-114.2 141.5 12.4 29.4 106.3 78 78 A W E - I 0 244B 0 166,-1.9 166,-2.3 -2,-0.4 2,-1.2 -0.971 35.8-104.7-140.6 152.4 15.2 29.7 103.9 79 79 A G E + I 0 243B 0 132,-2.6 164,-0.2 -2,-0.3 134,-0.1 -0.679 44.8 165.9 -79.1 99.5 16.1 28.7 100.3 80 80 A A E + 0 0 0 162,-1.6 82,-3.1 -2,-1.2 2,-0.3 0.688 58.7 13.9 -89.1 -27.1 18.5 25.9 100.9 81 81 A K E -JI 161 242B 39 161,-1.4 161,-2.6 80,-0.2 2,-0.5 -0.967 56.2-155.7-155.1 136.4 18.7 24.2 97.5 82 82 A Y E -JI 160 241B 1 78,-2.4 78,-2.5 -2,-0.3 2,-0.4 -0.959 14.0-167.5-114.3 128.4 17.7 25.1 93.9 83 83 A N E -JI 159 240B 20 157,-2.3 157,-2.5 -2,-0.5 2,-0.4 -0.974 8.5-177.8-120.9 129.9 17.1 22.3 91.4 84 84 A V E -JI 158 239B 1 74,-2.0 74,-2.2 -2,-0.4 2,-0.4 -0.999 12.2-175.4-123.8 125.7 16.7 22.7 87.7 85 85 A S E -JI 157 238B 40 153,-2.4 153,-2.8 -2,-0.4 2,-0.4 -0.972 13.4-166.9-129.2 141.8 16.0 19.6 85.6 86 86 A I E -JI 156 237B 2 70,-3.1 70,-2.6 -2,-0.4 2,-0.4 -0.994 13.1-176.1-125.7 129.7 15.7 19.0 81.9 87 87 A S E -JI 155 236B 13 149,-2.4 149,-1.8 -2,-0.4 2,-0.9 -0.984 27.1-141.4-136.3 128.3 14.2 15.7 80.5 88 88 A S E - 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