==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-FEB-00 1C77 . COMPND 2 MOLECULE: STAPHYLOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR Z.RAO,F.JIANG,Y.LIU,X.ZHANG,Y.CHEN,M.BARTLAM,H.SONG,Y.DING . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 25.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 0 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 PARALLEL BRIDGES PER LADDER . 0 3 2 1 2 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 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 7 A G 0 0 81 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-173.8 -12.9 29.2 41.1 2 8 A K + 0 0 120 1,-0.3 2,-0.1 238,-0.1 142,-0.0 0.568 360.0 11.2 -94.7 -18.0 -12.5 32.4 39.1 3 9 A Y S S- 0 0 115 237,-0.1 2,-1.0 2,-0.0 -1,-0.3 -0.596 82.2-161.0-161.3 83.7 -9.1 31.3 37.6 4 10 A K - 0 0 153 -3,-0.3 2,-0.5 -2,-0.1 0, 0.0 -0.659 16.6-137.4 -76.4 98.4 -8.7 27.6 38.5 5 11 A K S S+ 0 0 85 -2,-1.0 60,-0.1 1,-0.1 -1,-0.1 -0.434 80.0 60.0 -61.0 111.0 -4.9 26.9 38.2 6 12 A G - 0 0 26 -2,-0.5 -1,-0.1 58,-0.2 -2,-0.0 0.503 52.6-172.1 128.4 82.4 -5.0 23.5 36.4 7 13 A D S S- 0 0 157 1,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.993 94.3 -26.5 -55.1 -66.3 -6.6 23.1 33.0 8 14 A D S S+ 0 0 141 2,-0.0 3,-0.1 3,-0.0 -1,-0.1 0.480 94.1 152.5-124.1 -20.4 -6.2 19.3 33.1 9 15 A A - 0 0 53 1,-0.1 30,-0.0 2,-0.1 0, 0.0 0.312 63.5 -72.0 -16.1 136.3 -3.1 19.0 35.5 10 16 A S - 0 0 85 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.003 34.9-152.6 -42.6 138.1 -3.1 15.8 37.4 11 17 A Y S S+ 0 0 207 -3,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.791 80.9 55.3 -83.3 -29.5 -5.6 15.5 40.1 12 18 A F S S- 0 0 158 1,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.582 105.3 -79.7-101.7 163.5 -3.4 13.0 42.1 13 19 A E - 0 0 146 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.274 63.1 -85.2 -61.8 152.6 0.1 13.5 43.2 14 20 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.252 26.3-146.8 -59.8 143.8 2.8 12.9 40.6 15 21 A T S S+ 0 0 127 -3,-0.1 -2,-0.1 2,-0.1 3,-0.0 0.406 78.0 23.1 -93.1 -3.4 4.0 9.4 40.0 16 22 A G S S- 0 0 21 100,-0.1 100,-0.1 1,-0.1 99,-0.1 -0.890 106.1 -47.2-149.7 178.8 7.6 10.4 39.1 17 23 A P - 0 0 28 0, 0.0 26,-1.8 0, 0.0 2,-0.3 -0.179 60.4-179.6 -54.0 141.4 10.2 13.2 39.6 18 24 A Y E -Ab 42 118A 42 99,-2.1 101,-2.9 24,-0.3 2,-0.5 -0.971 28.6-125.6-143.6 158.2 8.8 16.6 38.9 19 25 A L E -Ab 41 119A 0 22,-3.6 22,-1.8 -2,-0.3 2,-0.6 -0.922 22.6-156.4-106.4 129.7 10.0 20.2 38.9 20 26 A M E -Ab 40 120A 10 99,-3.5 101,-3.4 -2,-0.5 2,-0.5 -0.923 4.8-159.1-111.1 118.9 7.9 22.6 41.1 21 27 A V E +Ab 39 121A 1 18,-2.2 18,-1.1 -2,-0.6 2,-0.2 -0.834 18.5 167.5-102.2 128.3 8.0 26.2 40.2 22 28 A N + 0 0 39 99,-3.3 101,-0.4 -2,-0.5 2,-0.2 -0.588 18.7 163.9-137.0 73.5 7.1 28.8 42.8 23 29 A V - 0 0 8 14,-0.3 2,-0.5 99,-0.2 14,-0.3 -0.588 32.9-145.7-100.0 157.0 8.1 32.2 41.5 24 30 A T E -e 124 0B 27 99,-2.2 101,-1.8 -2,-0.2 2,-0.5 -0.977 22.7-141.7-115.2 123.2 7.2 35.6 42.6 25 31 A G E +eF 125 34B 0 9,-1.7 8,-3.4 -2,-0.5 9,-1.6 -0.773 26.1 174.2 -90.1 129.6 7.1 38.0 39.6 26 32 A V E -eF 126 32B 18 99,-2.8 101,-1.9 -2,-0.5 6,-0.2 -0.850 25.6-127.1-129.3 162.4 8.5 41.5 40.2 27 33 A D > - 0 0 18 4,-1.8 3,-1.0 -2,-0.3 4,-0.2 -0.362 42.0 -93.0 -94.9-176.9 9.1 44.6 38.1 28 34 A G T 3 S+ 0 0 67 1,-0.2 2,-0.8 2,-0.1 -1,-0.1 0.991 120.5 58.4 -61.5 -59.0 12.4 46.4 38.0 29 35 A K T 3 S- 0 0 157 1,-0.2 -1,-0.2 -3,-0.0 0, 0.0 0.274 123.1 -98.6 -58.3 15.7 11.6 49.0 40.7 30 36 A G S < S+ 0 0 61 -3,-1.0 2,-0.4 -2,-0.8 -1,-0.2 0.961 73.2 144.0 66.7 53.4 11.0 46.2 43.2 31 37 A N - 0 0 73 -4,-0.2 -4,-1.8 0, 0.0 2,-0.5 -0.983 51.1-121.9-121.9 136.3 7.2 45.8 43.1 32 38 A E E +F 26 0B 109 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.660 34.4 170.9 -79.7 121.6 5.6 42.4 43.4 33 39 A L E + 0 0 6 -8,-3.4 205,-3.2 -2,-0.5 2,-0.4 0.734 63.1 22.6-101.9 -26.4 3.4 41.8 40.4 34 40 A L E S-Fg 25 238B 4 -9,-1.6 -9,-1.7 203,-0.2 -1,-0.3 -0.991 70.5-134.4-147.7 130.9 2.4 38.2 40.7 35 41 A S - 0 0 2 203,-0.8 -12,-0.1 -2,-0.4 -11,-0.1 -0.535 46.0 -80.3 -85.9 154.2 2.3 35.9 43.7 36 42 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 -12,-0.1 -0.301 46.5-166.2 -55.7 126.5 3.7 32.3 43.5 37 43 A H - 0 0 35 -14,-0.3 2,-0.5 -16,-0.1 -14,-0.3 -0.877 27.0-110.7-112.1 148.5 1.3 29.8 41.8 38 44 A Y + 0 0 112 -2,-0.3 2,-0.4 -16,-0.1 -16,-0.1 -0.681 43.8 169.8 -89.3 123.3 2.0 26.1 42.1 39 45 A V E -A 21 0A 7 -18,-1.1 -18,-2.2 -2,-0.5 2,-0.4 -0.997 16.1-158.2-135.9 136.9 3.0 24.5 38.9 40 46 A E E +A 20 0A 65 -2,-0.4 -20,-0.2 -20,-0.2 -31,-0.0 -0.916 9.1 179.7-116.4 144.7 4.4 21.1 38.2 41 47 A F E -A 19 0A 36 -22,-1.8 -22,-3.6 -2,-0.4 2,-0.1 -0.996 29.0-124.6-138.6 127.8 6.5 19.8 35.2 42 48 A P E -A 18 0A 112 0, 0.0 2,-0.3 0, 0.0 -24,-0.3 -0.445 32.9-177.3 -72.9 148.6 7.6 16.2 35.0 43 49 A I - 0 0 19 -26,-1.8 -2,-0.0 -2,-0.1 0, 0.0 -0.947 18.4-131.6-141.6 163.7 11.4 15.7 34.5 44 50 A K > - 0 0 139 -2,-0.3 3,-1.6 -28,-0.1 63,-0.3 -0.883 23.3-115.3-119.7 140.3 13.7 12.8 34.0 45 51 A P T 3 S+ 0 0 34 0, 0.0 3,-0.1 0, 0.0 64,-0.1 -0.564 106.2 45.0 -73.2 144.2 16.9 11.9 35.9 46 52 A G T 3 S+ 0 0 50 61,-1.5 2,-0.1 1,-0.5 63,-0.0 0.114 87.6 119.4 106.8 -19.4 19.7 12.1 33.4 47 53 A T < - 0 0 47 -3,-1.6 60,-2.8 60,-0.1 2,-0.5 -0.448 62.0-133.1 -76.8 151.6 18.3 15.4 31.9 48 54 A T E -I 106 0C 64 58,-0.2 2,-0.7 -2,-0.1 58,-0.2 -0.926 15.2-157.2-107.6 126.1 20.6 18.5 32.1 49 55 A L E -I 105 0C 4 56,-2.5 56,-1.2 -2,-0.5 52,-0.3 -0.917 15.7-175.5-107.8 111.8 18.8 21.6 33.4 50 56 A T > - 0 0 30 -2,-0.7 4,-2.6 54,-0.2 52,-0.2 -0.503 41.9-103.5 -97.6 173.4 20.5 24.7 32.4 51 57 A K H > S+ 0 0 61 50,-1.8 4,-2.9 1,-0.2 5,-0.2 0.925 122.4 53.1 -60.9 -40.5 19.7 28.4 33.2 52 58 A E H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.846 109.6 46.4 -63.6 -38.4 18.1 28.8 29.8 53 59 A K H > S+ 0 0 113 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.888 112.2 52.2 -71.8 -37.5 15.8 25.8 30.2 54 60 A I H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.953 107.0 53.0 -63.2 -41.6 15.0 27.1 33.7 55 61 A E H X S+ 0 0 55 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.914 110.9 46.9 -57.6 -45.0 14.1 30.5 32.1 56 62 A Y H X S+ 0 0 120 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.884 108.5 54.5 -66.2 -37.8 11.8 28.8 29.7 57 63 A Y H X S+ 0 0 44 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.929 109.7 47.5 -63.2 -40.3 10.1 26.7 32.5 58 64 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.921 109.5 52.4 -68.1 -38.5 9.3 29.8 34.5 59 65 A E H X S+ 0 0 22 -4,-2.0 4,-1.1 1,-0.2 3,-0.4 0.934 111.6 48.6 -60.2 -40.5 7.9 31.6 31.4 60 66 A W H < S+ 0 0 132 -4,-2.5 3,-0.4 1,-0.2 4,-0.3 0.879 105.0 57.5 -68.7 -29.1 5.7 28.5 30.9 61 67 A A H >< S+ 0 0 6 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.835 103.4 55.0 -69.1 -27.2 4.7 28.6 34.6 62 68 A L H >< S+ 0 0 2 -4,-1.6 3,-2.3 -3,-0.4 5,-0.3 0.787 92.2 69.8 -72.7 -26.8 3.4 32.2 34.0 63 69 A D T 3< S+ 0 0 76 -4,-1.1 -1,-0.2 -3,-0.4 5,-0.2 0.634 90.9 63.3 -66.1 -10.7 1.2 30.9 31.1 64 70 A A T < S+ 0 0 25 -3,-0.9 -1,-0.3 -4,-0.3 2,-0.2 0.493 106.0 52.8 -88.4 -4.3 -0.9 29.2 33.8 65 71 A T S X S- 0 0 2 -3,-2.3 3,-1.4 -60,-0.1 -31,-0.0 -0.614 104.2 -87.7-120.9-176.0 -1.7 32.7 35.3 66 72 A A T 3 S+ 0 0 14 1,-0.3 3,-0.4 -2,-0.2 -3,-0.1 0.640 121.8 65.9 -68.6 -13.4 -3.1 36.0 34.3 67 73 A Y T > + 0 0 0 -5,-0.3 3,-2.7 1,-0.2 -1,-0.3 0.106 60.7 128.8 -95.8 22.7 0.4 37.0 33.3 68 74 A K T < + 0 0 87 -3,-1.4 -1,-0.2 1,-0.3 -5,-0.2 0.771 69.0 58.6 -48.3 -28.6 0.6 34.4 30.5 69 75 A E T 3 S+ 0 0 88 -3,-0.4 61,-1.9 -7,-0.1 -1,-0.3 0.317 85.9 100.5 -87.3 9.0 1.7 37.2 28.1 70 76 A F E < -H 129 0B 7 -3,-2.7 2,-0.3 59,-0.2 59,-0.2 -0.645 58.7-146.4 -97.4 156.7 4.9 38.2 30.1 71 77 A R E -H 128 0B 108 57,-3.0 57,-1.7 -2,-0.2 2,-0.4 -0.807 26.5-103.6-113.9 153.8 8.4 37.1 29.3 72 78 A V E +H 127 0B 20 -2,-0.3 55,-0.2 55,-0.2 3,-0.1 -0.700 37.1 175.0 -79.7 130.6 11.2 36.4 31.8 73 79 A V E - 0 0 62 53,-3.0 2,-0.3 -2,-0.4 54,-0.2 0.826 66.5 -4.3 -98.4 -47.0 13.7 39.4 31.9 74 80 A E E -H 126 0B 119 52,-1.7 52,-3.3 -19,-0.0 2,-0.3 -0.896 59.9-144.5-159.9 124.1 16.0 38.4 34.7 75 81 A L E -H 125 0B 4 -2,-0.3 50,-0.2 50,-0.2 -20,-0.0 -0.661 43.9 -93.5 -85.7 132.9 16.1 35.4 37.1 76 82 A D > - 0 0 50 48,-1.9 3,-1.8 -2,-0.3 -1,-0.1 -0.256 32.9-139.4 -46.8 123.2 17.3 36.1 40.6 77 83 A P T 3 S+ 0 0 115 0, 0.0 23,-0.2 0, 0.0 -1,-0.2 0.774 99.4 57.6 -61.5 -22.9 21.1 35.2 40.4 78 84 A S T 3 S+ 0 0 86 21,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.460 79.6 123.3 -88.2 2.1 20.9 33.6 43.9 79 85 A A < + 0 0 7 -3,-1.8 21,-1.1 45,-0.1 2,-0.3 -0.266 36.1 179.6 -62.8 149.7 18.1 31.1 42.9 80 86 A K E -C 99 0A 79 42,-0.3 42,-0.6 19,-0.2 2,-0.6 -0.936 31.3-117.2-144.7 162.4 18.7 27.4 43.4 81 87 A I E -CD 98 121A 0 17,-2.5 17,-1.9 -2,-0.3 2,-0.4 -0.937 36.5-169.6-104.7 119.2 16.9 24.2 42.9 82 88 A E E -CD 97 120A 81 38,-1.9 38,-3.2 -2,-0.6 2,-0.4 -0.882 9.5-169.2-114.5 143.8 16.4 22.3 46.2 83 89 A V E -CD 96 119A 0 13,-2.3 13,-2.0 -2,-0.4 2,-0.4 -0.994 3.5-165.1-132.5 135.7 15.1 18.8 46.8 84 90 A T E +C 95 0A 58 34,-0.5 34,-0.4 -2,-0.4 2,-0.3 -0.967 20.1 145.5-124.0 134.4 14.2 17.3 50.1 85 91 A Y E -C 94 0A 21 9,-2.1 9,-3.2 -2,-0.4 2,-0.5 -0.985 46.6-102.5-158.0 165.7 13.7 13.7 51.0 86 92 A Y E -C 93 0A 141 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.804 32.2-135.1 -94.8 122.0 14.1 11.2 53.7 87 93 A D > - 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