==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 25-APR-11 3ROH . COMPND 2 MOLECULE: LEUKOTOXIN LUKE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS TC . AUTHOR G.MINASOV,A.HALAVATY,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,F.BAGN . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 50.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 36 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 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 0 PARALLEL BRIDGES PER LADDER . 2 1 1 2 1 2 2 2 0 1 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 30 A T 0 0 181 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 27.5 41.4 44.3 16.7 2 31 A N + 0 0 83 1,-0.2 12,-2.5 11,-0.1 2,-0.4 0.396 360.0 52.7-111.3 -3.5 37.9 45.1 15.3 3 32 A I E -A 13 0A 87 10,-0.2 2,-0.4 2,-0.0 10,-0.2 -0.997 66.0-170.7-137.1 129.9 39.1 46.8 12.0 4 33 A E E -A 12 0A 68 8,-2.0 8,-2.4 -2,-0.4 2,-0.5 -0.974 20.7-135.1-128.1 136.4 41.6 45.4 9.5 5 34 A N E +A 11 0A 124 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.745 23.7 174.3 -84.2 126.3 43.4 47.0 6.5 6 35 A I E - 0 0 13 4,-1.8 5,-0.2 -2,-0.5 108,-0.2 0.341 59.0 -70.0-114.4 4.4 43.3 44.5 3.6 7 36 A G E > S+A 10 0A 24 3,-0.7 3,-0.7 1,-0.4 -1,-0.4 -0.235 97.1 22.2 118.2 151.9 44.8 46.8 0.9 8 37 A D T 3 S- 0 0 101 1,-0.2 2,-2.1 -2,-0.1 -1,-0.4 -0.002 124.0 -36.3 54.0-165.4 43.7 50.0 -0.9 9 38 A G T 3 S+ 0 0 54 -3,-0.1 29,-1.2 -4,-0.1 2,-0.4 -0.365 115.3 113.0 -82.2 56.1 41.0 52.1 0.7 10 39 A A E < +AB 7 37A 2 -2,-2.1 -4,-1.8 -3,-0.7 -3,-0.7 -0.998 36.9 159.6-135.5 135.2 39.5 48.8 1.8 11 40 A E E -AB 5 36A 71 25,-2.0 25,-3.0 -2,-0.4 2,-0.5 -0.960 32.3-124.9-149.5 162.0 39.1 47.4 5.3 12 41 A V E -AB 4 35A 0 -8,-2.4 -8,-2.0 -2,-0.3 2,-0.7 -0.963 13.1-150.8-118.6 121.6 37.1 44.8 7.1 13 42 A I E -AB 3 34A 12 21,-1.7 21,-2.9 -2,-0.5 2,-0.6 -0.823 18.1-153.7 -90.5 113.1 35.1 45.7 10.2 14 43 A K E + B 0 33A 64 -12,-2.5 2,-0.3 -2,-0.7 19,-0.2 -0.810 20.3 169.6 -95.5 117.8 35.0 42.6 12.4 15 44 A R E - B 0 32A 72 17,-1.8 17,-3.2 -2,-0.6 2,-0.3 -0.922 10.1-167.0-124.6 149.5 32.0 42.2 14.8 16 45 A T E - B 0 31A 86 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.994 7.0-164.9-141.4 147.4 31.0 39.2 16.8 17 46 A E E - B 0 30A 52 13,-1.7 13,-1.6 -2,-0.3 2,-0.4 -0.930 4.0-162.5-128.3 151.0 27.9 38.0 18.8 18 47 A D E + B 0 29A 107 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.926 17.7 166.7-137.4 106.0 27.6 35.2 21.3 19 48 A V E + B 0 28A 19 9,-1.9 9,-3.6 -2,-0.4 2,-0.3 -0.989 9.3 179.6-124.8 131.3 24.0 34.0 22.0 20 49 A S E - B 0 27A 66 -2,-0.4 2,-0.3 7,-0.3 7,-0.2 -0.805 14.9-159.4-127.7 169.0 23.3 30.8 23.9 21 50 A S E >> - B 0 26A 17 5,-2.4 5,-1.8 -2,-0.3 4,-1.3 -0.921 12.8-167.7-151.7 121.0 20.3 28.8 25.1 22 51 A K T 45S+ 0 0 201 -2,-0.3 -1,-0.1 3,-0.2 5,-0.0 0.880 93.9 59.4 -74.7 -36.6 20.2 26.1 27.9 23 52 A K T 45S+ 0 0 141 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.958 119.5 26.9 -52.9 -56.5 16.7 25.1 26.7 24 53 A W T 45S- 0 0 46 2,-0.1 -1,-0.2 209,-0.0 -2,-0.2 0.644 103.3-130.3 -83.6 -14.8 17.9 24.3 23.2 25 54 A G T <5 + 0 0 12 -4,-1.3 29,-2.3 1,-0.2 2,-0.3 0.982 62.9 128.3 61.6 57.8 21.5 23.4 24.4 26 55 A V E < -BC 21 53A 2 -5,-1.8 -5,-2.4 27,-0.2 2,-0.4 -0.975 43.2-163.4-143.4 151.9 23.0 25.6 21.7 27 56 A T E -BC 20 52A 40 25,-1.7 25,-1.8 -2,-0.3 2,-0.7 -0.983 9.6-154.2-139.4 124.4 25.6 28.4 21.5 28 57 A Q E +BC 19 51A 0 -9,-3.6 -9,-1.9 -2,-0.4 2,-0.7 -0.905 13.2 178.0-105.0 115.7 26.0 30.7 18.5 29 58 A N E +BC 18 50A 61 21,-2.9 21,-1.3 -2,-0.7 2,-0.3 -0.852 20.8 174.4-114.5 86.4 29.5 32.2 18.1 30 59 A V E -BC 17 49A 1 -13,-1.6 -13,-1.7 -2,-0.7 2,-0.5 -0.708 24.0-154.6-100.5 149.7 29.0 34.2 15.0 31 60 A Q E -BC 16 48A 46 17,-1.6 17,-2.3 -2,-0.3 2,-0.8 -0.987 6.3-164.8-123.2 117.6 31.5 36.5 13.3 32 61 A F E -BC 15 47A 0 -17,-3.2 -17,-1.8 -2,-0.5 2,-0.7 -0.862 7.6-170.3-107.4 101.1 30.0 39.2 11.1 33 62 A D E -BC 14 46A 0 13,-2.4 13,-3.0 -2,-0.8 2,-0.3 -0.829 8.0-154.2 -98.1 112.9 32.8 40.7 8.9 34 63 A F E -BC 13 45A 2 -21,-2.9 -21,-1.7 -2,-0.7 2,-0.7 -0.656 10.4-140.8 -82.2 136.9 31.7 43.9 7.0 35 64 A V E -BC 12 44A 5 9,-2.7 2,-0.7 -2,-0.3 9,-0.5 -0.885 13.2-166.2-106.1 105.8 33.7 44.5 3.8 36 65 A K E +B 11 0A 86 -25,-3.0 -25,-2.0 -2,-0.7 2,-0.3 -0.827 25.0 152.1 -89.1 109.3 34.5 48.2 3.3 37 66 A D E > -B 10 0A 7 -2,-0.7 3,-2.0 3,-0.3 5,-0.3 -0.830 33.9-166.3-148.3 106.0 35.6 48.7 -0.3 38 67 A K T 3 S+ 0 0 150 -29,-1.2 -1,-0.1 -2,-0.3 -28,-0.1 0.859 93.8 59.1 -54.5 -38.3 35.2 51.9 -2.3 39 68 A K T 3 S+ 0 0 123 1,-0.2 2,-0.4 -30,-0.1 -1,-0.3 0.419 100.4 62.7 -75.2 2.3 36.1 49.9 -5.5 40 69 A Y S < S- 0 0 27 -3,-2.0 2,-2.4 75,-0.1 -3,-0.3 -0.887 74.0-154.0-132.2 98.6 33.1 47.6 -4.9 41 70 A N + 0 0 128 -2,-0.4 179,-0.4 74,-0.1 2,-0.3 -0.101 68.6 78.1 -67.9 42.0 29.7 49.4 -5.0 42 71 A K S S- 0 0 54 -2,-2.4 177,-0.2 -5,-0.3 -5,-0.1 -0.960 78.7-120.1-153.4 131.8 27.9 46.9 -2.7 43 72 A D E - D 0 218A 23 175,-1.8 175,-1.9 -2,-0.3 2,-0.4 -0.429 33.3-167.4 -67.3 144.4 27.9 46.3 1.0 44 73 A A E -CD 35 217A 1 -9,-0.5 -9,-2.7 173,-0.2 2,-0.5 -0.994 13.2-170.2-140.8 131.9 29.1 42.8 1.9 45 74 A L E -CD 34 216A 0 171,-2.1 171,-2.4 -2,-0.4 2,-0.8 -0.980 10.7-155.1-124.0 117.8 28.9 40.9 5.2 46 75 A I E -CD 33 215A 2 -13,-3.0 -13,-2.4 -2,-0.5 2,-0.6 -0.831 14.6-161.4 -93.1 107.9 30.7 37.6 5.6 47 76 A V E -CD 32 214A 0 167,-2.3 167,-1.5 -2,-0.8 2,-0.6 -0.836 6.4-169.1 -97.2 119.7 28.9 35.7 8.3 48 77 A K E -CD 31 213A 23 -17,-2.3 -17,-1.6 -2,-0.6 2,-0.6 -0.923 10.3-154.6-111.3 108.0 30.9 32.8 9.9 49 78 A M E +CD 30 212A 0 163,-2.4 163,-2.1 -2,-0.6 2,-0.2 -0.731 28.6 145.7 -90.2 116.0 28.7 30.6 12.0 50 79 A Q E +CD 29 211A 58 -21,-1.3 -21,-2.9 -2,-0.6 2,-0.4 -0.738 14.0 95.0-133.9-178.0 30.4 28.7 14.8 51 80 A G E -C 28 0A 10 159,-0.6 2,-0.3 -23,-0.3 -23,-0.2 -0.996 68.3 -60.6 136.9-137.5 29.5 27.5 18.3 52 81 A F E -C 27 0A 65 -25,-1.8 -25,-1.7 -2,-0.4 2,-0.6 -0.939 23.8-161.5-158.4 130.3 28.2 24.2 19.7 53 82 A I E -CE 26 208A 0 155,-3.0 155,-2.7 -2,-0.3 -27,-0.2 -0.954 31.8-128.2-114.0 108.5 25.1 22.2 19.2 54 83 A N E - E 0 207A 52 -29,-2.3 153,-0.3 -2,-0.6 152,-0.1 -0.312 8.4-133.5 -57.9 131.8 24.7 19.7 22.1 55 84 A S - 0 0 3 151,-2.2 152,-0.2 147,-0.2 -1,-0.1 0.851 25.1-150.8 -54.1 -36.4 24.1 16.1 20.9 56 85 A R + 0 0 86 150,-0.5 2,-0.1 1,-0.2 -1,-0.1 0.657 32.5 167.2 71.6 17.7 21.3 16.0 23.4 57 86 A T + 0 0 29 147,-0.4 2,-0.3 148,-0.2 -1,-0.2 -0.433 7.2 174.5 -67.3 134.6 22.0 12.3 23.7 58 87 A S E -G 74 0B 47 16,-1.9 16,-2.9 -2,-0.1 2,-0.4 -0.996 23.2-159.0-148.0 139.5 20.3 10.7 26.7 59 88 A F E +G 73 0B 53 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.964 32.3 151.0-116.2 132.1 19.9 7.1 28.0 60 89 A S E -G 72 0B 33 12,-2.3 12,-3.1 -2,-0.4 2,-0.1 -0.986 44.7 -92.3-158.8 168.4 17.0 6.4 30.4 61 90 A D E -G 71 0B 104 -2,-0.3 2,-0.6 10,-0.2 10,-0.2 -0.324 39.9-122.2 -75.0 164.0 14.4 4.1 31.8 62 91 A V - 0 0 21 8,-0.7 8,-0.2 5,-0.6 5,-0.1 -0.964 25.5-132.5-115.9 115.6 10.9 3.9 30.3 63 92 A K + 0 0 192 -2,-0.6 2,-0.0 3,-0.1 5,-0.0 -0.208 63.1 62.0 -62.4 153.8 8.1 4.7 32.7 64 93 A G S > S- 0 0 52 2,-0.0 3,-1.4 4,-0.0 2,-0.1 0.183 87.9 -74.6 102.6 141.2 5.0 2.5 33.0 65 94 A S T 3 S+ 0 0 108 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.418 117.1 35.7 -69.0 140.5 4.5 -1.2 33.9 66 95 A G T 3 S+ 0 0 63 -2,-0.1 -1,-0.2 4,-0.0 3,-0.1 0.239 106.1 75.9 98.3 -8.3 5.5 -3.7 31.3 67 96 A Y X + 0 0 124 -3,-1.4 3,-1.5 -5,-0.1 -5,-0.6 0.108 52.1 112.7-117.5 18.7 8.5 -1.5 30.4 68 97 A E T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -7,-0.1 -6,-0.1 0.819 89.4 37.8 -62.1 -29.8 10.7 -2.2 33.4 69 98 A L T 3 S+ 0 0 43 -3,-0.1 174,-2.5 174,-0.1 2,-0.6 0.185 96.9 96.7-105.5 14.7 13.2 -3.9 31.0 70 99 A T E < - H 0 242B 10 -3,-1.5 -8,-0.7 172,-0.2 2,-0.3 -0.924 55.4-172.1-107.8 117.0 12.7 -1.4 28.1 71 100 A K E -GH 61 241B 12 170,-2.5 170,-2.6 -2,-0.6 2,-0.4 -0.789 10.9-139.3-111.2 154.4 15.3 1.3 28.0 72 101 A R E -GH 60 240B 62 -12,-3.1 -12,-2.3 -2,-0.3 2,-0.5 -0.950 12.7-172.6-123.7 128.4 15.5 4.4 25.8 73 102 A M E -GH 59 239B 0 166,-3.0 166,-2.1 -2,-0.4 2,-0.5 -0.961 8.3-167.4-116.8 117.2 18.4 6.1 23.9 74 103 A I E +GH 58 238B 22 -16,-2.9 -16,-1.9 -2,-0.5 164,-0.2 -0.889 19.0 161.9-104.3 130.3 17.8 9.5 22.3 75 104 A W E - H 0 237B 0 162,-1.9 162,-2.5 -2,-0.5 2,-0.7 -0.972 43.1 -92.0-147.8 160.4 20.4 10.8 19.9 76 105 A P E + H 0 236B 0 0, 0.0 160,-0.3 0, 0.0 3,-0.1 -0.622 29.4 177.5 -79.6 111.8 21.0 13.3 17.1 77 106 A F E S+ 0 0 7 158,-2.0 84,-2.6 -2,-0.7 2,-0.3 0.777 76.3 8.9 -79.7 -27.6 20.4 11.8 13.6 78 107 A Q E -IH 160 235B 16 157,-1.5 157,-2.4 82,-0.2 2,-0.3 -0.973 64.7-141.7-155.2 138.6 21.2 15.2 12.0 79 108 A Y E -IH 159 234B 0 80,-1.8 80,-2.3 -2,-0.3 2,-0.5 -0.805 22.1-146.5 -98.6 144.0 22.5 18.6 13.0 80 109 A N E +IH 158 233B 8 153,-2.1 153,-1.9 -2,-0.3 2,-0.4 -0.947 20.1 172.7-119.8 121.8 20.9 21.7 11.4 81 110 A I E +IH 157 232B 1 76,-1.6 76,-3.0 -2,-0.5 2,-0.3 -0.988 18.6 150.9-124.0 132.3 22.7 25.0 10.6 82 111 A G E -IH 156 231B 4 149,-2.0 149,-2.7 -2,-0.4 2,-0.4 -0.998 30.7-159.8-161.5 158.1 20.9 27.7 8.6 83 112 A L E +IH 155 230B 1 72,-2.1 72,-1.7 -2,-0.3 2,-0.3 -0.966 17.5 176.1-143.0 121.0 20.5 31.4 7.8 84 113 A T E -IH 154 229B 44 145,-1.9 145,-2.8 -2,-0.4 2,-0.3 -0.932 5.7-171.7-127.1 150.6 17.5 33.0 6.3 85 114 A T E - 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