==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 28-JUL-98 3LKF . 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) . 13645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 71.6 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 . 146 50.0 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 . 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 . 30 10.3 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 . 6 2.1 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 1 2 1 2 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 65 0, 0.0 25,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 127.6 2.2 31.0 82.2 2 2 A G E -A 25 0A 58 23,-0.2 2,-0.3 2,-0.0 23,-0.2 -0.917 360.0 -71.1 176.1-146.6 3.9 33.0 79.5 3 3 A K E -A 24 0A 143 21,-0.6 21,-2.4 -2,-0.3 2,-0.4 -0.939 17.8-138.4-145.3 165.6 4.8 33.4 75.8 4 4 A I E -A 23 0A 63 -2,-0.3 19,-0.2 19,-0.2 -2,-0.0 -0.993 25.4-134.3-130.3 123.4 7.0 32.1 73.1 5 5 A T - 0 0 45 17,-2.5 3,-0.1 -2,-0.4 2,-0.0 -0.237 30.6 -96.1 -74.3 161.0 8.8 34.4 70.7 6 6 A P - 0 0 117 0, 0.0 16,-0.3 0, 0.0 2,-0.3 -0.306 52.7 -88.2 -69.9 167.4 8.8 33.9 66.9 7 7 A V - 0 0 45 14,-0.1 2,-0.4 12,-0.1 14,-0.2 -0.573 37.1-156.0 -81.6 134.9 11.9 32.1 65.5 8 8 A S E -B 20 0A 67 12,-2.2 12,-2.2 -2,-0.3 2,-0.4 -0.879 10.3-148.2-107.7 144.8 14.9 34.2 64.5 9 9 A V E -B 19 0A 103 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.940 16.2-178.5-121.0 141.5 17.3 32.8 61.9 10 10 A K E -B 18 0A 127 8,-2.6 8,-3.4 -2,-0.4 2,-0.6 -0.947 14.9-153.7-138.5 107.7 21.1 33.3 61.5 11 11 A K E +B 17 0A 145 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.756 16.4 178.0 -83.9 121.2 22.9 31.7 58.6 12 12 A V - 0 0 43 4,-2.6 -1,-0.2 -2,-0.6 5,-0.2 0.929 63.2 -18.1 -85.4 -75.3 26.5 31.2 59.6 13 13 A D S S- 0 0 88 3,-0.8 -1,-0.2 118,-0.0 118,-0.0 -0.264 82.1 -89.6-110.5-158.7 28.2 29.4 56.7 14 14 A D S S+ 0 0 72 -2,-0.2 30,-0.1 1,-0.1 3,-0.1 0.551 130.8 50.5 -92.3 -10.3 26.5 27.6 53.9 15 15 A K S S+ 0 0 25 1,-0.2 29,-2.0 28,-0.1 2,-0.4 0.863 108.2 49.6 -90.1 -47.0 26.8 24.6 56.2 16 16 A V E + C 0 43A 0 27,-0.2 -4,-2.6 28,-0.1 -3,-0.8 -0.850 53.2 177.8-108.1 134.2 25.3 26.0 59.5 17 17 A T E -BC 11 42A 24 25,-1.8 25,-2.3 -2,-0.4 2,-0.4 -0.999 16.5-150.6-130.6 130.9 22.1 27.8 60.2 18 18 A L E -BC 10 41A 25 -8,-3.4 -8,-2.6 -2,-0.4 2,-0.4 -0.875 10.0-170.1-104.1 136.6 21.1 28.9 63.7 19 19 A Y E -BC 9 40A 49 21,-2.2 21,-2.7 -2,-0.4 2,-0.4 -0.983 6.3-168.9-126.0 135.8 17.5 29.2 64.8 20 20 A K E +BC 8 39A 82 -12,-2.2 -12,-2.2 -2,-0.4 2,-0.3 -0.979 13.9 165.5-133.6 139.9 16.4 30.7 68.1 21 21 A T E - C 0 38A 2 17,-1.6 17,-2.7 -2,-0.4 2,-0.5 -0.984 20.4-147.5-148.1 138.2 13.1 31.0 70.1 22 22 A T E - C 0 37A 34 -2,-0.3 -17,-2.5 -16,-0.3 2,-0.4 -0.942 9.4-166.8-116.1 128.3 12.5 31.9 73.7 23 23 A A E -AC 4 36A 0 13,-3.0 13,-3.3 -2,-0.5 2,-0.4 -0.881 2.1-163.6-111.6 141.4 9.8 30.5 75.9 24 24 A T E +AC 3 35A 37 -21,-2.4 -21,-0.6 -2,-0.4 2,-0.4 -0.996 10.0 175.1-127.8 124.1 8.8 32.0 79.2 25 25 A A E -AC 2 34A 0 9,-1.9 9,-2.6 -2,-0.4 2,-0.3 -0.994 13.8-168.2-130.4 126.6 6.6 30.1 81.9 26 26 A D E - C 0 33A 45 -25,-1.6 2,-0.6 -2,-0.4 7,-0.2 -0.867 26.7-158.5-124.4 152.4 5.9 31.6 85.3 27 27 A S E >> + C 0 32A 1 5,-3.1 5,-2.1 -2,-0.3 4,-0.8 -0.945 12.4 179.5-120.4 98.5 4.6 30.7 88.7 28 28 A D T 45S+ 0 0 141 -2,-0.6 3,-0.4 3,-0.2 -1,-0.2 0.920 82.6 56.8 -65.2 -40.1 3.5 34.0 90.3 29 29 A K T 45S+ 0 0 140 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.927 117.2 30.9 -55.9 -51.8 2.4 32.0 93.4 30 30 A F T 45S- 0 0 6 2,-0.1 30,-0.3 237,-0.0 -1,-0.2 0.485 106.9-123.1 -88.7 -1.6 5.8 30.4 94.0 31 31 A K T <5 + 0 0 127 -4,-0.8 29,-2.0 -3,-0.4 2,-0.4 0.946 64.0 140.3 56.9 48.0 7.7 33.4 92.6 32 32 A I E < -CD 27 59A 2 -5,-2.1 -5,-3.1 27,-0.2 2,-0.4 -0.983 30.9-171.6-121.5 135.8 9.5 31.2 90.0 33 33 A S E -CD 26 58A 33 25,-3.0 25,-2.4 -2,-0.4 2,-0.5 -0.992 6.6-159.1-132.7 125.2 10.2 32.3 86.5 34 34 A Q E -CD 25 57A 0 -9,-2.6 -9,-1.9 -2,-0.4 2,-0.5 -0.920 7.0-175.8-107.2 125.9 11.5 30.1 83.7 35 35 A I E -CD 24 56A 56 21,-2.4 21,-3.0 -2,-0.5 2,-0.5 -0.986 10.5-173.8-119.7 114.3 13.2 31.7 80.7 36 36 A L E -CD 23 55A 0 -13,-3.3 -13,-3.0 -2,-0.5 2,-0.7 -0.940 8.6-167.8-118.4 113.0 14.1 29.0 78.1 37 37 A T E -CD 22 54A 19 17,-2.7 17,-2.5 -2,-0.5 2,-0.7 -0.885 7.6-159.1-103.9 111.3 16.1 29.9 75.0 38 38 A F E -CD 21 53A 0 -17,-2.7 -17,-1.6 -2,-0.7 2,-0.7 -0.827 5.7-169.9 -93.2 115.0 16.1 27.1 72.4 39 39 A N E -CD 20 52A 8 13,-2.2 13,-2.9 -2,-0.7 2,-0.5 -0.907 6.7-161.4-107.2 102.9 19.1 27.4 70.0 40 40 A F E -CD 19 51A 1 -21,-2.7 -21,-2.2 -2,-0.7 2,-0.6 -0.753 0.8-161.3 -87.5 130.8 18.7 24.9 67.1 41 41 A I E -CD 18 50A 1 9,-3.5 9,-1.7 -2,-0.5 2,-0.7 -0.927 4.3-169.6-114.9 105.4 21.9 24.2 65.1 42 42 A K E +C 17 0A 42 -25,-2.3 -25,-1.8 -2,-0.6 2,-0.5 -0.886 11.4 178.5 -97.0 114.1 21.3 22.6 61.6 43 43 A D E > -C 16 0A 5 -2,-0.7 3,-2.2 5,-0.4 5,-0.3 -0.928 22.1-163.3-122.5 107.4 24.7 21.5 60.3 44 44 A K T 3 S+ 0 0 166 -29,-2.0 -1,-0.1 -2,-0.5 -28,-0.1 0.713 92.7 60.7 -60.9 -22.2 24.9 19.8 56.9 45 45 A S T 3 S+ 0 0 73 -30,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.254 100.5 68.3 -88.3 12.6 28.3 18.4 57.7 46 46 A Y S < S- 0 0 65 -3,-2.2 -3,-0.2 2,-0.1 74,-0.1 -0.998 71.3-142.9-137.7 136.8 26.9 16.5 60.7 47 47 A D S S+ 0 0 111 -2,-0.4 2,-0.3 72,-0.2 -3,-0.1 0.152 83.3 64.7 -82.6 20.7 24.6 13.5 60.9 48 48 A K S S- 0 0 63 -5,-0.3 2,-0.4 179,-0.1 -5,-0.4 -0.980 75.9-128.8-142.4 148.6 22.8 14.9 63.9 49 49 A D E - E 0 225A 20 176,-2.2 176,-2.5 -2,-0.3 2,-0.4 -0.840 30.1-150.4 -94.7 136.7 20.6 17.9 64.7 50 50 A T E -DE 41 224A 6 -9,-1.7 -9,-3.5 -2,-0.4 2,-0.4 -0.907 13.8-169.5-117.1 140.4 21.7 19.8 67.8 51 51 A L E -DE 40 223A 0 172,-2.5 172,-2.6 -2,-0.4 2,-0.7 -0.993 4.8-164.4-129.4 120.1 19.8 21.9 70.3 52 52 A V E -DE 39 222A 0 -13,-2.9 -13,-2.2 -2,-0.4 2,-0.6 -0.931 12.4-166.4-106.1 106.8 21.4 24.1 72.9 53 53 A L E -DE 38 221A 0 168,-2.8 168,-2.1 -2,-0.7 2,-0.6 -0.851 4.8-162.6 -96.6 122.8 18.9 25.0 75.5 54 54 A K E -DE 37 220A 27 -17,-2.5 -17,-2.7 -2,-0.6 2,-0.6 -0.939 6.0-161.5-106.2 120.9 19.8 27.9 77.9 55 55 A A E +DE 36 219A 1 164,-3.1 164,-2.3 -2,-0.6 -19,-0.2 -0.920 25.8 147.6-106.6 115.7 17.7 27.9 81.1 56 56 A T E +DE 35 218A 24 -21,-3.0 -21,-2.4 -2,-0.6 2,-0.4 -0.642 14.7 93.7-129.0-170.7 17.7 31.2 83.0 57 57 A G E -D 34 0A 14 160,-0.5 2,-0.3 -23,-0.2 -23,-0.2 -0.958 66.7 -53.8 128.8-141.3 15.2 33.1 85.1 58 58 A N E -D 33 0A 41 -25,-2.4 -25,-3.0 -2,-0.4 2,-0.4 -1.000 23.7-171.0-149.8 144.2 14.5 33.3 88.8 59 59 A I E -DF 32 215A 0 156,-2.1 156,-2.3 -2,-0.3 -27,-0.2 -0.947 28.2-137.3-133.3 109.7 13.7 31.0 91.8 60 60 A N E - F 0 214A 36 -29,-2.0 154,-0.3 -2,-0.4 153,-0.1 -0.270 14.6-126.2 -63.0 154.9 12.7 33.0 94.9 61 61 A S - 0 0 1 152,-2.4 153,-0.2 1,-0.1 19,-0.1 0.756 24.7-134.6 -76.0 -24.2 14.2 31.7 98.2 62 62 A G + 0 0 8 151,-0.4 152,-0.1 1,-0.2 150,-0.1 0.640 41.9 173.6 77.3 12.5 10.9 31.3 100.0 63 63 A F - 0 0 37 150,-0.3 2,-0.4 13,-0.1 15,-0.2 -0.214 16.0-169.3 -57.1 135.3 12.5 33.0 103.0 64 64 A V B -H 77 0B 73 13,-2.0 13,-1.6 -3,-0.1 -1,-0.0 -0.969 16.2-136.9-130.8 116.0 10.2 33.8 105.9 65 65 A K - 0 0 146 -2,-0.4 10,-0.1 11,-0.2 133,-0.0 -0.242 29.1 -98.6 -67.6 159.0 11.5 36.1 108.7 66 66 A P - 0 0 24 0, 0.0 10,-0.1 0, 0.0 -1,-0.1 -0.332 32.4-105.4 -78.3 159.7 10.9 35.2 112.3 67 67 A N > - 0 0 80 8,-0.3 3,-2.1 1,-0.1 131,-0.1 -0.798 27.1-146.5 -81.2 115.7 8.2 36.8 114.5 68 68 A P T 3 S+ 0 0 57 0, 0.0 130,-0.2 0, 0.0 131,-0.2 0.666 94.2 64.9 -60.4 -13.6 10.2 39.2 116.8 69 69 A N T 3 + 0 0 120 129,-0.1 2,-0.3 128,-0.1 128,-0.1 0.559 70.0 114.1 -88.2 -6.9 7.7 38.5 119.6 70 70 A D < - 0 0 47 -3,-2.1 128,-2.8 1,-0.1 127,-0.4 -0.480 46.1-174.6 -64.3 123.6 8.7 34.8 119.9 71 71 A Y + 0 0 133 -2,-0.3 126,-1.4 125,-0.3 -1,-0.1 0.963 68.1 6.2 -91.4 -61.5 10.3 34.5 123.4 72 72 A D S S+ 0 0 76 1,-0.2 178,-2.4 124,-0.2 2,-0.3 0.575 131.8 32.5-100.6 -13.2 11.7 31.1 124.2 73 73 A F E + I 0 249B 65 176,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.996 65.0 158.5-144.9 140.0 11.3 29.5 120.8 74 74 A S E - I 0 248B 0 174,-2.2 174,-2.6 -2,-0.3 2,-0.3 -0.986 12.0-169.0-156.3 162.0 11.4 30.8 117.3 75 75 A K E - I 0 247B 81 -2,-0.3 -8,-0.3 172,-0.3 2,-0.3 -0.962 5.6-168.8-152.1 162.9 11.9 29.8 113.7 76 76 A L E - I 0 246B 4 170,-2.2 170,-2.6 -2,-0.3 2,-0.4 -0.928 21.1-127.6-147.0 162.7 12.4 31.0 110.2 77 77 A Y E -HI 64 245B 22 -13,-1.6 -13,-2.0 -2,-0.3 2,-0.3 -0.936 27.9-175.8-115.7 142.9 12.4 29.4 106.7 78 78 A W E - I 0 244B 0 166,-1.8 166,-2.3 -2,-0.4 2,-1.2 -0.971 35.5-103.7-141.0 152.9 15.3 29.7 104.3 79 79 A G E + I 0 243B 0 132,-2.5 164,-0.2 -2,-0.3 134,-0.1 -0.684 45.3 165.3 -78.2 99.5 16.2 28.8 100.7 80 80 A A E + 0 0 0 162,-1.5 82,-2.7 -2,-1.2 2,-0.3 0.706 58.7 13.8 -89.0 -29.7 18.6 25.9 101.3 81 81 A K E -JI 161 242B 40 161,-1.5 161,-2.6 80,-0.2 2,-0.5 -0.975 55.6-155.8-153.4 137.0 18.8 24.2 97.8 82 82 A Y E -JI 160 241B 1 78,-2.3 78,-2.6 -2,-0.3 2,-0.5 -0.961 14.6-166.6-113.7 129.7 17.8 25.1 94.3 83 83 A N E -JI 159 240B 20 157,-2.2 157,-2.3 -2,-0.5 2,-0.4 -0.971 8.3-176.9-122.3 128.1 17.2 22.3 91.8 84 84 A V E -JI 158 239B 1 74,-2.1 74,-2.2 -2,-0.5 2,-0.4 -0.992 11.7-177.2-122.2 124.4 16.9 22.7 88.0 85 85 A S E -JI 157 238B 39 153,-2.2 153,-2.8 -2,-0.4 2,-0.4 -0.970 14.0-167.4-129.6 143.2 16.1 19.6 85.9 86 86 A I E -JI 156 237B 2 70,-3.1 70,-2.4 -2,-0.4 2,-0.4 -0.994 12.6-176.5-126.5 131.8 15.7 18.9 82.2 87 87 A S E -JI 155 236B 13 149,-2.3 149,-2.1 -2,-0.4 2,-0.9 -0.988 26.4-143.9-138.1 128.2 14.2 15.7 80.8 88 88 A S E - 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