==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOLYTIC PROTEIN 02-DEC-96 7AHL . COMPND 2 MOLECULE: ALPHA-HEMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR L.SONG,M.HOBAUGH,C.SHUSTAK,S.CHELEY,H.BAYLEY,J.E.GOUAUX . 2051 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 77372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1549 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 988 48.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 18 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 1.0 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 . 3 0.1 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 . 277 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.4 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 5 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 . 21 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 . 24 8 10 2 8 7 14 2 9 7 0 3 1 7 0 3 2 6 4 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 7 2 4 1 0 0 0 0 0 0 0 0 0 0 1 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 67 0, 0.0 4,-1.0 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 176.7 51.2 20.9 60.3 2 2 A D G >4> + 0 0 15 1,-0.2 5,-2.0 2,-0.2 3,-1.1 0.942 360.0 54.3 -56.1 -46.5 52.8 21.5 63.6 3 3 A S G >45S+ 0 0 60 1,-0.3 3,-1.4 3,-0.2 -1,-0.2 0.775 98.9 62.4 -59.1 -30.7 51.5 25.1 63.7 4 4 A D G <45S+ 0 0 56 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.827 106.8 44.2 -66.8 -32.4 47.9 24.0 63.2 5 5 A I G <<5S- 0 0 8 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 -0.036 124.2-102.8-101.5 29.5 47.9 22.1 66.4 6 6 A N T < 5S+ 0 0 11 -3,-1.4 302,-2.6 1,-0.2 2,-0.4 0.684 77.5 131.9 61.2 29.2 49.6 24.9 68.3 7 7 A I B < -a 308 0A 0 -5,-2.0 -1,-0.2 300,-0.2 302,-0.2 -0.887 67.3 -96.3-114.8 140.9 53.1 23.4 68.4 8 8 A K > - 0 0 82 300,-2.9 3,-1.8 -2,-0.4 4,-0.3 -0.265 55.2 -97.4 -52.2 128.9 56.4 25.2 67.6 9 9 A T T 3 S+ 0 0 109 1,-0.2 -1,-0.1 2,-0.1 298,-0.0 -0.263 105.9 14.6 -53.4 129.2 57.2 24.3 64.0 10 10 A G T > S+ 0 0 33 -3,-0.1 3,-0.9 1757,-0.0 -1,-0.2 0.354 86.1 119.6 86.3 -5.0 59.8 21.5 63.6 11 11 A T T < S+ 0 0 27 -3,-1.8 -2,-0.1 1,-0.2 303,-0.1 0.890 78.1 47.3 -57.0 -38.2 59.4 20.3 67.2 12 12 A T T 3 S+ 0 0 0 -4,-0.3 -1,-0.2 -5,-0.1 2,-0.1 0.578 88.9 108.6 -84.2 -10.1 58.2 16.9 65.9 13 13 A D < - 0 0 35 -3,-0.9 3,-0.3 1758,-0.1 1758,-0.2 -0.348 60.3-133.1 -76.3 149.6 60.9 16.3 63.3 14 14 A I B S+b 1771 0B 2 1756,-2.1 1758,-2.8 1,-0.2 1761,-0.1 -0.618 76.2 65.0 -94.4 155.4 63.6 13.7 63.6 15 15 A G > + 0 0 5 1,-0.3 3,-0.8 -2,-0.2 2,-0.2 0.360 61.0 146.4 114.5 -3.6 67.3 14.3 62.8 16 16 A S T 3 S- 0 0 47 -3,-0.3 -1,-0.3 1,-0.2 31,-0.2 -0.452 73.9 -3.8 -71.6 130.9 68.1 16.8 65.6 17 17 A N T 3 S+ 0 0 173 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.898 101.8 130.7 54.5 48.4 71.6 16.7 67.0 18 18 A T < - 0 0 29 -3,-0.8 2,-0.6 27,-0.1 -1,-0.2 -0.998 59.2-131.9-136.3 133.7 72.5 13.7 64.9 19 19 A T - 0 0 93 -2,-0.4 2,-0.4 25,-0.2 25,-0.4 -0.775 30.6-150.2 -84.3 116.6 75.6 13.1 62.8 20 20 A V - 0 0 23 -2,-0.6 2,-0.5 23,-0.1 23,-0.2 -0.793 5.0-151.1 -96.1 132.4 74.2 11.8 59.5 21 21 A K E -C 42 0C 71 21,-1.3 21,-2.6 -2,-0.4 2,-0.2 -0.923 22.0-178.3-102.2 125.2 76.2 9.4 57.3 22 22 A T E +Cd 411812C 7 1789,-2.1 1791,-1.2 -2,-0.5 2,-0.3 -0.730 6.2 174.5-120.1 167.4 75.5 9.6 53.6 23 23 A G E -C 40 0C 0 17,-1.5 17,-1.8 1789,-0.2 2,-0.4 -0.988 22.8-135.7-167.7 159.9 76.6 7.9 50.5 24 24 A D E -C 39 0C 3 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.956 12.0-172.4-122.8 140.1 76.2 7.4 46.7 25 25 A L E -C 38 0C 13 13,-1.9 13,-2.4 -2,-0.4 2,-0.4 -0.926 12.8-172.1-134.7 105.0 76.2 4.1 44.9 26 26 A V E +C 37 0C 11 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.875 10.2 167.4-107.2 135.9 76.2 4.4 41.1 27 27 A T E -C 36 0C 32 9,-2.7 9,-2.9 -2,-0.4 2,-0.5 -0.988 20.1-153.4-141.4 139.6 75.7 1.6 38.5 28 28 A Y E -C 35 0C 63 -2,-0.3 2,-1.0 7,-0.2 7,-0.2 -0.973 6.6-155.1-119.5 116.7 75.1 1.8 34.8 29 29 A D E >> -C 34 0C 33 5,-2.7 5,-1.8 -2,-0.5 4,-0.9 -0.818 10.5-173.1 -90.0 103.6 73.3 -1.2 33.3 30 30 A K T 45S+ 0 0 158 -2,-1.0 -1,-0.2 3,-0.2 5,-0.0 0.864 78.1 52.7 -64.5 -44.9 74.4 -1.1 29.6 31 31 A E T 45S+ 0 0 166 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.934 121.9 31.1 -58.4 -49.9 72.0 -3.9 28.3 32 32 A N T 45S- 0 0 23 2,-0.1 -1,-0.2 245,-0.0 -2,-0.2 0.534 105.2-129.0 -88.3 -8.6 68.9 -2.2 29.7 33 33 A G T <5 + 0 0 4 -4,-0.9 29,-2.3 1,-0.2 2,-0.4 0.951 55.9 142.9 59.5 53.9 70.2 1.3 29.4 34 34 A M E < -CE 29 61C 0 -5,-1.8 -5,-2.7 27,-0.2 2,-0.7 -0.991 42.3-153.6-130.6 118.6 69.5 2.5 32.9 35 35 A H E -CE 28 60C 0 25,-2.9 25,-2.1 -2,-0.4 2,-0.5 -0.860 24.8-164.3 -89.5 111.8 71.8 4.8 34.9 36 36 A K E +CE 27 59C 7 -9,-2.9 -9,-2.7 -2,-0.7 2,-0.4 -0.904 12.6 178.8-106.6 129.2 71.0 3.8 38.5 37 37 A K E -CE 26 58C 4 21,-1.0 21,-3.2 -2,-0.5 2,-0.5 -0.974 9.1-166.1-135.1 122.7 71.9 5.9 41.5 38 38 A V E -CE 25 57C 0 -13,-2.4 -13,-1.9 -2,-0.4 2,-0.5 -0.897 2.1-169.3-107.6 128.1 71.2 5.2 45.1 39 39 A F E -CE 24 56C 0 17,-2.5 17,-3.0 -2,-0.5 2,-0.3 -0.985 13.6-172.6-120.3 115.7 71.6 7.9 47.7 40 40 A Y E -CE 23 55C 10 -17,-1.8 -17,-1.5 -2,-0.5 2,-0.3 -0.775 12.9-170.5-110.6 155.4 71.4 6.7 51.3 41 41 A S E -CE 22 54C 0 13,-1.1 13,-2.5 -2,-0.3 2,-0.5 -0.957 9.6-154.6-145.6 124.9 71.3 8.5 54.7 42 42 A F E -CE 21 53C 1 -21,-2.6 -21,-1.3 -2,-0.3 2,-0.5 -0.875 12.9-175.7-101.4 125.3 71.7 6.9 58.1 43 43 A I E - E 0 52C 1 9,-2.7 9,-2.1 -2,-0.5 2,-0.6 -0.971 9.1-179.0-124.3 114.7 70.0 8.8 60.9 44 44 A D - 0 0 34 -2,-0.5 2,-0.6 -25,-0.4 -25,-0.2 -0.676 9.1-178.8-113.4 73.8 70.5 7.5 64.5 45 45 A D > - 0 0 6 -2,-0.6 3,-1.7 5,-0.3 5,-0.2 -0.644 18.8-152.5 -73.4 115.7 68.5 10.0 66.5 46 46 A K T 3 S+ 0 0 153 -2,-0.6 -1,-0.2 1,-0.3 -29,-0.1 0.719 94.1 58.8 -66.4 -19.8 68.9 8.9 70.0 47 47 A N T 3 S+ 0 0 67 -31,-0.2 269,-2.3 268,-0.0 2,-0.3 0.315 95.6 80.6 -90.1 8.7 65.6 10.4 71.0 48 48 A H B < S-i 316 0D 5 -3,-1.7 269,-0.2 267,-0.2 267,-0.0 -0.868 82.4-130.4-112.5 145.8 63.9 8.2 68.4 49 49 A N S S+ 0 0 47 267,-1.1 187,-0.5 -2,-0.3 2,-0.3 0.513 85.0 38.5 -77.0 -3.3 63.0 4.6 69.1 50 50 A K S S- 0 0 24 -5,-0.2 -5,-0.3 185,-0.1 185,-0.2 -0.987 79.6-110.9-149.0 153.7 64.5 3.3 65.9 51 51 A K E - F 0 234C 25 183,-2.3 183,-1.5 -2,-0.3 2,-0.4 -0.525 37.8-148.5 -75.5 150.9 67.4 3.7 63.5 52 52 A L E -EF 43 233C 3 -9,-2.1 -9,-2.7 181,-0.2 2,-0.4 -0.958 19.1-174.9-128.2 146.5 66.5 5.2 60.2 53 53 A L E -EF 42 232C 0 179,-1.8 179,-3.0 -2,-0.4 2,-0.6 -0.992 12.3-157.9-135.6 123.3 68.0 4.8 56.7 54 54 A V E -EF 41 231C 0 -13,-2.5 -13,-1.1 -2,-0.4 2,-0.5 -0.945 9.9-163.7-106.7 114.5 66.5 7.0 53.9 55 55 A I E -EF 40 230C 0 175,-3.0 175,-2.2 -2,-0.6 2,-0.6 -0.901 2.5-165.8-101.5 126.4 67.1 5.4 50.5 56 56 A R E -EF 39 229C 18 -17,-3.0 -17,-2.5 -2,-0.5 2,-0.7 -0.956 5.7-157.1-114.4 117.2 66.7 7.7 47.4 57 57 A T E +EF 38 228C 0 171,-1.4 171,-1.6 -2,-0.6 -19,-0.2 -0.847 33.4 144.0 -95.3 113.3 66.5 5.9 44.1 58 58 A K E +E 37 0C 2 -21,-3.2 -21,-1.0 -2,-0.7 2,-0.2 -0.300 14.3 92.1-124.0-148.2 67.5 8.4 41.3 59 59 A G E S-E 36 0C 2 -23,-0.2 2,-0.3 167,-0.2 -23,-0.2 -0.548 73.0 -76.8 87.4-161.0 69.4 8.2 38.0 60 60 A T E -E 35 0C 3 -25,-2.1 -25,-2.9 165,-0.2 2,-0.6 -0.963 17.9-148.3-152.2 134.0 67.6 7.7 34.7 61 61 A I E -EG 34 224C 0 163,-2.4 163,-2.1 -2,-0.3 -27,-0.2 -0.872 36.3-123.7 -94.3 116.9 66.0 4.9 32.7 62 62 A A - 0 0 11 -29,-2.3 161,-0.3 -2,-0.6 160,-0.2 -0.284 11.0-135.0 -61.7 147.8 66.5 5.6 29.0 63 63 A G - 0 0 0 158,-1.6 158,-0.2 155,-0.2 159,-0.2 0.974 18.6-162.4 -67.9 -58.8 63.3 5.8 26.9 64 64 A Q + 0 0 79 157,-1.3 2,-1.1 1,-0.2 157,-0.2 0.855 13.0 177.4 73.2 41.9 64.3 3.7 23.9 65 65 A Y + 0 0 30 155,-0.4 2,-0.4 15,-0.1 15,-0.2 -0.657 23.7 160.0 -73.8 97.5 61.6 4.9 21.5 66 66 A R B -O 79 0E 49 13,-2.5 13,-3.2 -2,-1.1 2,-1.1 -0.989 50.2-132.3-134.7 139.9 62.8 2.9 18.5 67 67 A V + 0 0 57 -2,-0.4 11,-0.3 11,-0.3 -2,-0.0 -0.785 37.1 168.0 -87.9 97.8 61.4 1.6 15.1 68 68 A Y + 0 0 104 -2,-1.1 2,-0.4 9,-0.1 -1,-0.2 0.888 50.9 60.6 -79.5 -45.8 62.7 -2.0 15.4 69 69 A S + 0 0 34 8,-0.2 8,-1.9 2,-0.0 2,-0.4 -0.736 49.7 174.0 -97.8 136.9 60.9 -3.7 12.6 70 70 A E B +P 76 0E 135 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.961 4.8 171.7-138.7 110.0 61.0 -2.9 8.9 71 71 A E - 0 0 158 4,-1.6 3,-0.4 1,-0.7 4,-0.2 -0.202 66.9 -74.5-111.6 39.6 59.1 -5.3 6.6 72 72 A G S > S- 0 0 42 1,-0.2 -1,-0.7 2,-0.1 3,-0.6 -0.291 80.0 -48.6 88.9 176.4 59.5 -3.2 3.4 73 73 A A T 3 S+ 0 0 52 1,-0.2 -1,-0.2 132,-0.2 131,-0.1 0.422 129.8 70.9 -66.8 4.3 57.5 0.0 2.9 74 74 A N T 3 S+ 0 0 111 -3,-0.4 186,-1.6 1,-0.2 2,-0.3 0.920 106.1 10.6 -84.6 -53.8 54.3 -1.9 3.8 75 75 A K E < + Q 0 259E 25 -3,-0.6 -4,-1.6 -4,-0.2 131,-0.3 -0.836 57.9 172.2-128.4 163.9 54.7 -2.4 7.5 76 76 A S E -PQ 70 258E 1 182,-1.1 182,-2.4 -2,-0.3 2,-0.3 -0.938 19.1-137.7-166.0 148.9 56.9 -1.2 10.4 77 77 A G E - 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0 0 50 6,-0.1 2,-0.2 1,-0.1 -1,-0.2 -0.221 57.5-146.9 -46.8 117.4 70.0 9.6 28.4 1924 160 G P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.514 16.0-167.5 -91.3 161.9 73.0 9.5 30.7 1925 161 G T - 0 0 31 3,-2.7 3,-0.3 -2,-0.2 -1890,-0.1 -0.716 46.5 -95.2-128.2 178.4 75.4 6.7 31.6 1926 162 G D S S+ 0 0 29 -2,-0.3 -64,-2.5 1,-0.2 3,-0.1 0.588 127.1 44.0 -77.0 -4.8 77.9 6.7 34.4 1927 163 G K S S+ 0 0 31 1,-0.2 -73,-3.0 -66,-0.2 2,-0.3 0.529 119.2 27.4-114.0 -8.9 80.5 7.9 31.9 1928 164 G K E +A 1853 0h 49 -3,-0.3 -3,-2.7 -75,-0.2 2,-0.3 -0.998 48.2 174.5-157.1 150.9 78.5 10.6 30.0 1929 165 G V E +A 1852 0h 0 -77,-1.7 -77,-2.7 -2,-0.3 2,-0.3 -0.984 11.1 175.3-151.3 144.6 75.7 13.1 30.1 1930 166 G G E -AB18511922h 2 -8,-0.6 -8,-2.3 -2,-0.3 2,-0.3 -0.989 15.0-151.4-152.6 155.8 74.4 15.7 27.7 1931 167 G W E -AB18501921h 0 -81,-2.6 -81,-1.6 -2,-0.3 2,-0.4 -0.901 7.4-166.4-125.1 156.9 71.6 18.2 27.2 1932 168 G K E -AB18491920h 44 -12,-2.3 -12,-3.1 -2,-0.3 2,-0.7 -0.977 10.3-160.5-146.8 125.0 70.1 19.5 24.1 1933 169 G V E -AB18481919h 0 -85,-2.7 -85,-1.8 -2,-0.4 2,-0.3 -0.961 28.3-170.0-107.7 107.3 67.8 22.5 23.7 1934 170 G I E -AB18471918h 10 -16,-2.5 -16,-2.6 -2,-0.7 -87,-0.2 -0.782 27.8 -98.0-103.1 149.6 66.0 22.0 20.4 1935 171 G F E + B 01917h 14 -89,-3.0 -18,-0.2 -2,-0.3 13,-0.1 -0.361 39.0 175.0 -62.4 136.6 63.8 24.2 18.2 1936 172 G N - 0 0 27 -20,-2.9 12,-0.3 1,-0.3 2,-0.3 0.767 51.7 -55.0-106.4 -74.2 60.1 23.4 18.8 1937 173 G N - 0 0 10 -21,-0.6 -1,-0.3 -22,-0.3 2,-0.3 -0.951 51.0-152.3-165.1 166.4 57.9 25.8 16.8 1938 174 G M E -G 1946 0i 4 8,-2.7 8,-3.1 -2,-0.3 2,-0.4 -0.999 19.8-112.0-156.2 151.3 57.5 29.5 16.5 1939 175 G V E - 0 0 24 -2,-0.3 2,-0.7 6,-0.3 5,-0.2 -0.682 23.3-159.1 -84.9 126.4 55.1 32.4 15.7 1940 176 G N E > S-G 1943 0i 11 3,-2.4 3,-1.0 -2,-0.4 40,-0.1 -0.903 72.9 -35.2-108.7 101.5 55.9 34.3 12.5 1941 177 G Q T 3 S- 0 0 71 -2,-0.7 -1,-0.2 38,-0.4 3,-0.1 0.947 123.2 -39.8 46.7 69.2 54.2 37.7 12.7 1942 178 G N T 3 S+ 0 0 56 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.416 123.8 87.2 67.0 2.6 51.0 36.8 14.7 1943 179 G W E < S-G 1940 0i 88 -3,-1.0 -3,-2.4 -653,-0.0 3,-0.2 -0.927 72.6 -3.2-133.3 157.6 50.5 33.5 12.8 1944 180 G G E - 0 0 33 -2,-0.3 -5,-0.2 1,-0.3 2,-0.1 -0.954 49.5-126.7 121.3-137.7 51.5 29.9 13.0 1945 181 G P E - 0 0 21 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 0.494 41.7-169.8 -80.2 160.8 53.3 28.6 14.8 1946 182 G Y E -G 1938 0i 45 -8,-3.1 -8,-2.7 -3,-0.2 2,-0.2 -0.780 6.6-179.5-111.1 157.2 55.6 27.0 12.3 1947 183 G D > - 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