==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LEUCOTOXIN 12-JAN-99 1PVL . COMPND 2 MOLECULE: LEUCOCIDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.D.PEDELACQ,L.MOUREY,L.MAVEYRAUD,G.PREVOST,J.P.SAMAMA . 298 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 69.5 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 . 142 47.7 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 33 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 . 3 2 1 1 1 2 2 1 0 2 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 A 0 0 98 0, 0.0 25,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 166.6 58.6 37.6 20.4 2 2 A Q E +A 25 0A 121 23,-0.2 2,-0.3 2,-0.0 23,-0.2 -0.993 360.0 165.5-149.2 145.0 56.7 34.3 20.5 3 3 A H E -A 24 0A 113 21,-2.3 21,-3.2 -2,-0.3 2,-0.4 -0.991 16.2-164.6-159.6 148.9 55.1 32.3 23.2 4 4 A I E -A 23 0A 59 -2,-0.3 19,-0.2 19,-0.2 3,-0.1 -0.976 19.5-137.8-139.2 124.0 52.6 29.4 23.8 5 5 A T - 0 0 44 17,-2.5 3,-0.1 -2,-0.4 -2,-0.0 -0.469 31.5-101.1 -77.9 155.2 50.9 28.6 27.1 6 6 A P - 0 0 115 0, 0.0 16,-0.3 0, 0.0 2,-0.1 -0.301 57.3 -77.9 -66.7 159.2 50.6 25.0 28.2 7 7 A V - 0 0 56 14,-0.1 2,-0.6 -3,-0.1 14,-0.2 -0.391 39.1-148.9 -64.6 137.7 47.1 23.5 27.6 8 8 A S E -B 20 0A 70 12,-3.3 12,-3.1 -2,-0.1 2,-0.5 -0.933 13.0-158.9-110.4 112.4 44.3 24.4 30.0 9 9 A E E +B 19 0A 101 -2,-0.6 2,-0.4 10,-0.2 10,-0.2 -0.820 15.4 171.9 -98.7 127.6 41.7 21.6 30.4 10 10 A K E -B 18 0A 117 8,-2.7 8,-3.6 -2,-0.5 2,-0.9 -0.996 31.3-133.8-136.5 134.6 38.2 22.4 31.7 11 11 A K E -B 17 0A 129 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.806 20.5-175.0 -90.0 108.2 35.2 20.2 31.9 12 12 A V - 0 0 18 4,-1.6 2,-0.2 -2,-0.9 -1,-0.2 0.962 67.8 -26.2 -65.9 -56.8 32.3 22.3 30.5 13 13 A D S S- 0 0 56 3,-1.4 -1,-0.1 123,-0.0 122,-0.0 -0.684 86.4 -71.1-140.3-165.2 29.6 19.7 31.3 14 14 A D S S+ 0 0 152 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.732 131.5 29.0 -67.8 -25.0 29.5 16.0 31.8 15 15 A K S S+ 0 0 87 1,-0.1 29,-2.1 28,-0.0 2,-0.4 0.581 109.9 66.7-110.7 -19.4 30.0 15.4 28.0 16 16 A I E - C 0 43A 3 27,-0.2 -4,-1.6 28,-0.1 -3,-1.4 -0.919 55.8-168.3-115.1 134.5 32.1 18.3 26.7 17 17 A T E -BC 11 42A 16 25,-3.3 25,-2.3 -2,-0.4 2,-0.5 -0.940 11.1-145.8-121.2 141.5 35.7 19.2 27.5 18 18 A L E -BC 10 41A 13 -8,-3.6 -8,-2.7 -2,-0.4 2,-0.5 -0.914 9.9-172.5-108.0 132.2 37.6 22.4 26.7 19 19 A Y E -BC 9 40A 18 21,-2.5 21,-2.9 -2,-0.5 2,-0.4 -0.967 18.0-172.9-122.6 102.3 41.3 22.2 25.9 20 20 A K E +BC 8 39A 84 -12,-3.1 -12,-3.3 -2,-0.5 2,-0.4 -0.893 13.1 172.2-107.6 134.6 42.5 25.9 25.7 21 21 A T E - C 0 38A 2 17,-2.2 17,-3.4 -2,-0.4 2,-0.5 -0.996 18.9-149.1-135.4 137.1 45.9 27.1 24.6 22 22 A T E - C 0 37A 33 -2,-0.4 -17,-2.5 -16,-0.3 2,-0.4 -0.949 14.3-170.6-111.5 122.7 46.9 30.8 24.0 23 23 A A E -AC 4 36A 0 13,-2.9 13,-3.1 -2,-0.5 2,-0.4 -0.918 3.9-172.9-114.3 134.5 49.6 31.4 21.4 24 24 A T E +AC 3 35A 42 -21,-3.2 -21,-2.3 -2,-0.4 2,-0.3 -0.963 11.6 160.8-129.6 147.7 51.2 34.8 20.9 25 25 A S E +AC 2 34A 2 9,-1.8 9,-3.5 -2,-0.4 2,-0.3 -0.967 10.2 171.8-158.7 146.3 53.6 36.3 18.3 26 26 A D E - C 0 33A 52 -25,-1.9 2,-0.6 -2,-0.3 7,-0.2 -0.986 33.1-126.2-155.3 168.5 54.5 39.8 17.3 27 27 A S E >> - C 0 32A 11 5,-2.5 5,-1.4 -2,-0.3 4,-1.4 -0.969 14.4-168.9-115.8 111.8 56.8 42.1 15.3 28 28 A D T 45S+ 0 0 132 -2,-0.6 3,-0.2 1,-0.2 -1,-0.2 0.922 90.1 54.4 -69.0 -37.1 58.3 44.7 17.5 29 29 A K T 45S+ 0 0 169 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.884 117.4 33.6 -60.6 -43.3 59.5 46.5 14.3 30 30 A L T 45S- 0 0 5 2,-0.2 30,-0.3 241,-0.0 -1,-0.2 0.544 101.2-127.8 -91.3 -9.1 56.0 46.7 12.8 31 31 A K T <5 + 0 0 115 -4,-1.4 29,-2.6 1,-0.2 2,-0.4 0.942 64.1 134.6 61.2 49.5 54.0 47.1 16.0 32 32 A I E < +CD 27 59A 1 -5,-1.4 -5,-2.5 27,-0.2 2,-0.4 -0.999 29.4 178.3-127.1 125.4 51.7 44.1 15.1 33 33 A S E -CD 26 58A 36 25,-3.5 25,-2.4 -2,-0.4 2,-0.4 -0.996 16.2-151.0-137.2 140.8 50.9 41.5 17.7 34 34 A Q E -CD 25 57A 1 -9,-3.5 -9,-1.8 -2,-0.4 2,-0.5 -0.920 9.1-176.1-110.4 130.7 48.8 38.4 17.6 35 35 A I E -CD 24 56A 76 21,-2.3 21,-2.6 -2,-0.4 2,-0.6 -0.954 17.7-175.8-125.3 99.1 47.0 36.9 20.7 36 36 A L E -CD 23 55A 0 -13,-3.1 -13,-2.9 -2,-0.5 2,-0.7 -0.901 14.9-159.5-106.6 124.3 45.4 33.7 19.5 37 37 A T E -CD 22 54A 17 17,-2.1 17,-2.3 -2,-0.6 2,-0.8 -0.906 5.8-159.7-102.5 115.3 43.2 31.6 21.8 38 38 A F E -CD 21 53A 0 -17,-3.4 -17,-2.2 -2,-0.7 2,-0.8 -0.906 9.0-173.4 -94.8 106.5 42.8 28.0 20.5 39 39 A N E -CD 20 52A 2 13,-1.7 13,-2.9 -2,-0.8 2,-0.5 -0.912 5.4-166.7-103.3 96.5 39.7 26.6 22.2 40 40 A F E -CD 19 51A 2 -21,-2.9 -21,-2.5 -2,-0.8 2,-0.5 -0.795 5.7-155.0 -88.1 130.5 39.6 22.9 21.2 41 41 A I E -CD 18 50A 2 9,-3.9 9,-1.8 -2,-0.5 2,-0.5 -0.919 10.5-171.9-109.6 129.9 36.2 21.3 22.0 42 42 A K E +C 17 0A 74 -25,-2.3 -25,-3.3 -2,-0.5 2,-0.4 -0.992 8.4 178.0-122.5 120.6 35.8 17.6 22.6 43 43 A D E > -C 16 0A 4 -2,-0.5 3,-1.8 3,-0.3 -27,-0.2 -0.988 28.0-144.5-128.7 123.9 32.2 16.2 22.9 44 44 A K T 3 S+ 0 0 154 -29,-2.1 -28,-0.1 -2,-0.4 -1,-0.1 0.739 98.9 54.4 -57.7 -27.4 31.3 12.6 23.4 45 45 A S T 3 S+ 0 0 53 -30,-0.1 2,-0.4 1,-0.0 -1,-0.3 0.383 101.2 65.4 -90.5 2.3 28.2 12.8 21.2 46 46 A Y < - 0 0 61 -3,-1.8 -3,-0.3 2,-0.1 74,-0.1 -0.986 64.7-150.3-130.5 135.2 30.0 14.2 18.1 47 47 A D S S+ 0 0 103 -2,-0.4 184,-2.8 2,-0.0 2,-0.3 0.146 77.1 74.3 -86.6 20.5 32.6 12.5 15.9 48 48 A K E S- E 0 230A 71 182,-0.3 -5,-0.3 -5,-0.2 182,-0.3 -0.972 77.5-126.8-130.3 146.0 34.3 15.7 14.8 49 49 A D E - E 0 229A 10 180,-3.0 180,-1.9 -2,-0.3 2,-0.4 -0.663 23.1-147.8 -87.5 149.9 36.6 18.0 16.9 50 50 A T E -DE 41 228A 2 -9,-1.8 -9,-3.9 -2,-0.3 2,-0.5 -0.971 9.7-166.6-122.7 133.5 35.7 21.7 17.0 51 51 A L E -DE 40 227A 0 176,-2.8 176,-2.4 -2,-0.4 2,-0.9 -0.976 3.7-166.7-120.0 112.0 38.2 24.5 17.3 52 52 A I E -DE 39 226A 0 -13,-2.9 -13,-1.7 -2,-0.5 2,-0.6 -0.891 17.5-167.7 -99.4 100.2 36.9 27.9 18.2 53 53 A L E -DE 38 225A 0 172,-2.8 172,-2.6 -2,-0.9 2,-0.5 -0.864 7.3-161.5 -99.7 119.5 39.9 30.1 17.4 54 54 A K E -DE 37 224A 26 -17,-2.3 -17,-2.1 -2,-0.6 2,-0.6 -0.825 2.8-158.7 -98.4 128.6 39.9 33.7 18.6 55 55 A A E +DE 36 223A 0 168,-3.7 168,-2.0 -2,-0.5 -19,-0.2 -0.927 30.8 141.6-110.9 116.7 42.2 36.2 17.0 56 56 A A E +D 35 0A 12 -21,-2.6 -21,-2.3 -2,-0.6 2,-0.4 -0.607 13.1 92.8-135.6-165.5 43.0 39.2 19.0 57 57 A G E -D 34 0A 12 164,-0.5 2,-0.3 -23,-0.3 -23,-0.2 -0.913 69.7 -47.6 119.8-142.1 46.0 41.5 19.8 58 58 A N E -D 33 0A 36 -25,-2.4 -25,-3.5 -2,-0.4 2,-0.4 -0.994 27.0-172.3-146.3 145.2 47.1 44.7 18.1 59 59 A I E -DF 32 219A 0 160,-2.7 160,-2.0 -2,-0.3 -27,-0.2 -0.921 25.9-137.9-133.5 105.2 47.8 46.2 14.7 60 60 A Y E - F 0 218A 51 -29,-2.6 158,-0.2 -2,-0.4 157,-0.1 -0.293 18.2-127.8 -58.4 144.5 49.4 49.7 14.7 61 61 A S - 0 0 0 156,-2.7 20,-0.2 152,-0.2 -1,-0.1 0.741 30.5-126.7 -67.5 -23.6 47.8 51.9 12.1 62 62 A G + 0 0 7 155,-0.3 15,-0.1 1,-0.2 236,-0.1 0.525 50.3 165.2 87.5 7.1 51.2 52.8 10.5 63 63 A Y - 0 0 25 154,-0.3 2,-0.4 13,-0.1 15,-0.2 -0.214 21.4-164.2 -59.0 143.8 50.4 56.5 10.9 64 64 A T - 0 0 41 13,-2.0 13,-0.4 234,-0.1 -1,-0.0 -1.000 21.9-122.4-128.1 129.4 53.3 58.9 10.5 65 65 A K - 0 0 148 -2,-0.4 2,-0.1 11,-0.1 10,-0.0 -0.505 29.5-114.4 -76.2 143.1 52.8 62.5 11.7 66 66 A P - 0 0 14 0, 0.0 10,-0.1 0, 0.0 -1,-0.1 -0.462 33.2-103.3 -73.4 146.6 53.4 65.2 9.1 67 67 A N > - 0 0 69 8,-0.3 3,-1.7 1,-0.2 8,-0.1 -0.611 23.8-146.6 -73.1 120.8 56.4 67.5 9.6 68 68 A P T 3 S+ 0 0 45 0, 0.0 135,-0.3 0, 0.0 134,-0.2 0.682 95.1 60.7 -62.5 -17.8 55.0 70.9 10.9 69 69 A K T 3 S+ 0 0 148 133,-0.2 132,-0.1 132,-0.1 2,-0.1 0.516 74.8 119.5 -87.5 -7.4 57.8 72.8 9.0 70 70 A D < - 0 0 48 -3,-1.7 132,-2.5 130,-0.1 133,-0.3 -0.401 46.3-166.9 -61.2 130.3 56.7 71.5 5.6 71 71 A T + 0 0 85 130,-0.2 2,-2.3 129,-0.2 129,-0.1 -0.876 60.3 9.4-119.2 155.2 55.7 74.4 3.4 72 72 A I S S+ 0 0 101 -2,-0.3 182,-2.1 181,-0.0 2,-0.3 -0.369 131.9 13.7 77.7 -59.9 53.8 74.4 0.1 73 73 A S E +H 253 0B 66 -2,-2.3 2,-0.3 180,-0.2 180,-0.2 -0.979 66.8 175.1-141.6 152.8 52.9 70.8 0.3 74 74 A S E -H 252 0B 6 178,-1.3 178,-1.7 -2,-0.3 2,-0.3 -0.907 4.5-174.0-145.3 178.3 52.9 68.1 3.0 75 75 A Q E -H 251 0B 70 -2,-0.3 -8,-0.3 176,-0.2 2,-0.3 -0.989 7.4-170.5-168.7 166.0 51.9 64.5 3.6 76 76 A F E -H 250 0B 2 174,-2.1 174,-2.6 -2,-0.3 2,-0.3 -0.981 25.6-117.0-160.4 160.0 51.5 61.6 6.0 77 77 A Y E -H 249 0B 2 -13,-0.4 -13,-2.0 -2,-0.3 2,-0.3 -0.776 33.2-179.3 -98.7 147.9 50.7 57.9 6.0 78 78 A W E -H 248 0B 0 170,-1.7 170,-2.0 -2,-0.3 2,-1.0 -0.938 37.1-100.3-144.9 156.5 47.5 56.7 7.8 79 79 A G E +H 247 0B 0 136,-2.0 168,-0.2 -2,-0.3 138,-0.1 -0.782 44.3 166.4 -85.4 105.7 46.0 53.3 8.3 80 80 A S E + 0 0 0 166,-1.8 86,-2.7 -2,-1.0 2,-0.3 0.674 61.4 14.3 -92.7 -24.4 43.3 53.0 5.8 81 81 A K E -HI 246 165B 45 165,-1.7 165,-3.0 84,-0.2 2,-0.4 -0.992 55.2-160.3-157.2 143.8 42.5 49.3 5.9 82 82 A Y E -HI 245 164B 1 82,-2.1 82,-3.1 -2,-0.3 2,-0.4 -0.957 9.2-164.6-122.4 144.3 43.2 46.3 8.1 83 83 A N E -HI 244 163B 13 161,-2.5 161,-2.6 -2,-0.4 2,-0.5 -1.000 4.8-173.6-133.2 129.8 42.9 42.7 7.1 84 84 A I E +HI 243 162B 0 78,-2.4 78,-2.6 -2,-0.4 2,-0.3 -0.993 14.9 178.5-121.1 118.1 42.8 39.7 9.4 85 85 A S E -HI 242 161B 6 157,-2.5 157,-2.4 -2,-0.5 2,-0.4 -0.938 17.4-173.5-127.0 151.9 42.9 36.2 7.8 86 86 A I E +HI 241 160B 2 74,-2.6 74,-2.7 -2,-0.3 2,-0.4 -0.992 13.7 179.9-136.0 123.0 42.9 32.6 9.0 87 87 A N E -HI 240 159B 35 153,-2.3 153,-2.4 -2,-0.4 2,-0.4 -0.984 18.1-143.5-134.6 147.0 43.5 29.7 6.6 88 88 A S E +H 239 0B 2 70,-3.2 2,-0.3 -2,-0.4 151,-0.2 -0.865 28.5 159.1-103.3 138.1 43.6 25.9 7.1 89 89 A D E +H 238 0B 79 149,-2.0 149,-2.7 -2,-0.4 -2,-0.0 -0.901 45.3 48.6-146.4 172.0 46.0 23.7 5.1 90 90 A S S S+ 0 0 69 -2,-0.3 146,-0.1 147,-0.2 2,-0.1 0.697 101.3 64.0 67.0 24.3 47.6 20.3 5.2 91 91 A N > - 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