==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLASMINOGEN ACTIVATOR 20-FEB-97 2SAK . COMPND 2 MOLECULE: STAPHYLOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.RABIJNS,H.L.DE BONDT,M.DE MAEYER,I.LASTERS,C.DE RANTER . 121 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 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 . 19 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 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 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 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 16 A S 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.8 -14.9 -5.5 14.0 2 17 A Y + 0 0 206 2,-0.1 2,-0.2 0, 0.0 0, 0.0 0.708 360.0 62.3 -88.3 -25.4 -15.2 -8.0 11.2 3 18 A F S S- 0 0 155 1,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.514 103.8 -72.7-101.3 170.5 -17.5 -5.8 9.2 4 19 A E - 0 0 151 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.295 64.6 -99.6 -55.4 133.2 -17.3 -2.4 7.6 5 20 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.280 24.4-144.9 -59.6 144.2 -17.3 0.3 10.4 6 21 A T S S+ 0 0 136 -3,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.602 73.9 26.7 -89.1 -11.1 -20.7 2.0 10.9 7 22 A G S S- 0 0 23 1,-0.1 100,-0.1 100,-0.1 28,-0.1 -0.725 102.5 -52.2-138.0-174.4 -19.5 5.4 11.8 8 23 A P - 0 0 28 0, 0.0 26,-1.9 0, 0.0 2,-0.3 -0.293 58.5-178.0 -61.2 148.6 -16.6 7.9 11.3 9 24 A Y E -Ab 33 109A 42 99,-2.0 101,-3.3 24,-0.3 2,-0.6 -0.987 30.8-121.4-149.8 154.1 -13.2 6.5 12.1 10 25 A L E -Ab 32 110A 0 22,-3.7 22,-2.5 -2,-0.3 2,-0.7 -0.882 25.8-156.7 -96.8 123.5 -9.5 7.5 12.2 11 26 A M E -Ab 31 111A 14 99,-3.0 101,-2.8 -2,-0.6 2,-0.6 -0.930 5.8-161.3-105.7 113.2 -7.5 5.3 9.9 12 27 A V E +Ab 30 112A 0 18,-3.0 18,-1.9 -2,-0.7 2,-0.5 -0.882 14.4 174.5-100.8 116.3 -3.8 5.3 11.0 13 28 A N E +Ab 29 113A 38 99,-3.2 101,-1.4 -2,-0.6 2,-0.4 -0.844 19.2 174.4-121.5 89.4 -1.4 4.1 8.3 14 29 A V E -Ab 28 114A 1 14,-1.3 14,-1.4 -2,-0.5 2,-0.5 -0.809 28.2-157.4-110.1 140.7 2.1 4.6 9.7 15 30 A T E - b 0 115A 22 99,-2.1 101,-2.7 -2,-0.4 2,-0.4 -0.950 20.9-148.1-107.8 120.2 5.6 3.7 8.6 16 31 A G E +Ab 25 116A 0 9,-1.8 8,-2.9 -2,-0.5 9,-1.8 -0.792 22.3 172.0 -94.1 132.6 8.1 3.5 11.5 17 32 A V E -Ab 23 117A 6 99,-2.6 101,-2.7 -2,-0.4 6,-0.2 -0.917 28.2-121.1-133.2 159.5 11.7 4.5 10.9 18 33 A D > - 0 0 40 4,-1.8 3,-2.0 -2,-0.3 101,-0.1 -0.341 47.5 -85.5 -88.3-178.4 14.7 5.0 13.1 19 34 A S T 3 S+ 0 0 107 1,-0.3 100,-0.1 99,-0.2 98,-0.1 0.569 128.8 54.2 -67.5 -9.6 16.7 8.3 13.4 20 35 A K T 3 S- 0 0 174 2,-0.1 -1,-0.3 0, 0.0 97,-0.0 0.239 121.2-104.4-103.4 6.2 18.8 7.4 10.3 21 36 A G < + 0 0 49 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.483 68.2 149.1 87.8 -0.7 15.7 6.8 8.1 22 37 A N - 0 0 83 1,-0.1 -4,-1.8 2,-0.0 2,-0.5 -0.544 50.9-120.6 -69.3 129.9 15.8 2.9 8.1 23 38 A E E +A 17 0A 112 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.607 39.2 167.1 -75.1 122.4 12.3 1.5 7.8 24 39 A L E + 0 0 57 -8,-2.9 2,-0.4 -2,-0.5 -7,-0.2 0.732 68.0 30.7-102.1 -35.2 11.6 -0.7 10.9 25 40 A L E S-A 16 0A 25 -9,-1.8 -9,-1.8 31,-0.0 -1,-0.3 -0.987 76.5-134.2-135.1 125.1 7.9 -1.1 10.4 26 41 A S E - 0 0 75 -2,-0.4 -12,-0.2 -11,-0.2 -10,-0.0 -0.333 57.1 -59.2 -72.5 158.7 5.9 -1.2 7.1 27 42 A P E - 0 0 72 0, 0.0 2,-0.5 0, 0.0 -12,-0.2 -0.081 62.1-159.1 -43.5 112.2 2.6 0.8 6.7 28 43 A H E -A 14 0A 46 -14,-1.4 -14,-1.3 -3,-0.2 2,-0.6 -0.958 4.5-142.6-106.1 120.7 0.6 -0.7 9.5 29 44 A Y E +A 13 0A 118 -2,-0.5 2,-0.3 -16,-0.2 -16,-0.2 -0.753 29.0 159.3 -91.3 118.4 -3.3 -0.3 9.1 30 45 A V E -A 12 0A 28 -18,-1.9 -18,-3.0 -2,-0.6 2,-0.4 -0.994 23.2-150.8-139.8 138.0 -5.4 0.4 12.2 31 46 A E E -A 11 0A 74 -2,-0.3 -20,-0.2 -20,-0.2 78,-0.0 -0.899 10.4-176.6-111.6 139.7 -8.9 1.9 12.7 32 47 A F E -A 10 0A 12 -22,-2.5 -22,-3.7 -2,-0.4 2,-0.1 -0.998 28.0-121.5-132.6 129.4 -10.2 3.8 15.7 33 48 A P E -A 9 0A 112 0, 0.0 2,-0.3 0, 0.0 -24,-0.3 -0.437 33.8-178.2 -71.8 140.3 -13.8 5.1 15.9 34 49 A I - 0 0 16 -26,-1.9 76,-0.0 -2,-0.1 0, 0.0 -0.926 15.9-137.6-132.8 161.6 -14.2 8.8 16.4 35 50 A K > - 0 0 140 -2,-0.3 3,-1.8 -28,-0.1 63,-0.3 -0.942 26.5-104.5-125.4 143.6 -17.2 11.0 16.8 36 51 A P T 3 S+ 0 0 39 0, 0.0 3,-0.1 0, 0.0 64,-0.1 -0.402 108.0 41.1 -58.8 140.1 -18.1 14.4 15.3 37 52 A G T 3 S+ 0 0 45 61,-2.0 2,-0.2 1,-0.4 63,-0.0 0.177 83.9 121.5 105.7 -19.5 -17.5 17.1 17.9 38 53 A T < - 0 0 34 -3,-1.8 60,-2.8 60,-0.1 2,-0.6 -0.531 61.3-131.2 -75.7 145.8 -14.3 15.6 19.3 39 54 A T E -F 97 0B 60 58,-0.2 2,-0.7 -2,-0.2 58,-0.2 -0.890 17.1-156.9 -99.3 119.6 -11.2 17.9 19.1 40 55 A L E +F 96 0B 1 56,-2.5 56,-1.4 -2,-0.6 52,-0.3 -0.921 18.7 177.5 -99.1 116.0 -8.2 16.1 17.7 41 56 A T > - 0 0 32 -2,-0.7 4,-2.4 54,-0.2 52,-0.2 -0.724 45.2 -97.0-111.3 168.2 -5.0 17.7 18.8 42 57 A K H > S+ 0 0 87 50,-2.1 4,-2.5 -2,-0.2 5,-0.2 0.873 123.7 48.7 -48.7 -49.3 -1.3 16.8 18.1 43 58 A E H > S+ 0 0 154 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 110.2 50.5 -62.7 -42.6 -1.0 14.9 21.5 44 59 A K H > S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.912 111.6 49.5 -61.2 -42.5 -4.2 12.9 20.9 45 60 A I H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.931 109.1 50.7 -62.9 -44.4 -2.9 12.0 17.5 46 61 A E H X S+ 0 0 48 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.870 108.5 54.0 -61.4 -33.7 0.5 10.9 18.9 47 62 A Y H X S+ 0 0 135 -4,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.860 106.5 51.4 -68.9 -35.1 -1.4 8.8 21.4 48 63 A Y H X S+ 0 0 43 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.864 109.1 50.2 -71.1 -34.7 -3.3 7.1 18.5 49 64 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.903 110.0 49.6 -72.4 -32.7 -0.0 6.3 16.8 50 65 A E H X S+ 0 0 72 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.914 110.9 51.0 -64.3 -42.5 1.4 4.8 20.0 51 66 A W H >< S+ 0 0 130 -4,-2.0 3,-0.9 1,-0.2 4,-0.3 0.905 109.2 51.6 -58.2 -45.3 -1.9 2.7 20.3 52 67 A A H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.907 105.9 53.7 -61.2 -41.4 -1.4 1.6 16.7 53 68 A L H >< S+ 0 0 2 -4,-2.1 3,-1.7 1,-0.3 5,-0.3 0.621 89.5 78.5 -70.8 -14.4 2.2 0.5 17.4 54 69 A D T << S+ 0 0 83 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.679 86.2 60.2 -66.6 -19.1 1.0 -1.7 20.3 55 70 A A T < S+ 0 0 78 -3,-1.5 -1,-0.3 -4,-0.3 2,-0.2 0.385 106.0 64.9 -87.0 4.2 -0.1 -4.2 17.7 56 71 A T S X S- 0 0 19 -3,-1.7 3,-1.3 -28,-0.0 -31,-0.0 -0.680 98.5 -98.2-122.3 176.6 3.6 -4.5 16.6 57 72 A A T 3 S+ 0 0 86 1,-0.3 3,-0.4 -2,-0.2 -3,-0.1 0.676 118.3 65.0 -66.2 -15.6 7.0 -5.5 17.8 58 73 A Y T > + 0 0 57 -5,-0.3 3,-1.3 1,-0.2 -1,-0.3 0.054 61.2 123.8-100.1 26.7 7.6 -1.8 18.5 59 74 A K T < S+ 0 0 115 -3,-1.3 -1,-0.2 1,-0.3 -5,-0.1 0.745 75.1 46.1 -60.4 -27.2 5.0 -1.5 21.2 60 75 A E T 3 S+ 0 0 144 -3,-0.4 61,-0.3 -7,-0.1 -1,-0.3 0.547 88.7 113.0 -95.5 -3.6 7.5 -0.2 23.8 61 76 A F < - 0 0 38 -3,-1.3 2,-0.3 59,-0.1 59,-0.2 -0.300 67.1-122.1 -71.2 149.4 9.2 2.3 21.6 62 77 A R E -C 119 0A 93 57,-2.9 57,-1.7 -2,-0.0 2,-0.8 -0.670 20.8-127.4 -86.7 137.2 8.9 6.1 22.1 63 78 A V E -C 118 0A 21 -2,-0.3 55,-0.2 55,-0.2 3,-0.1 -0.850 27.0-175.6 -90.0 114.0 7.5 8.1 19.2 64 79 A V E - 0 0 59 53,-2.5 2,-0.3 -2,-0.8 -1,-0.2 0.934 58.4 -22.1 -73.7 -50.2 10.1 10.8 18.7 65 80 A E E -C 117 0A 110 52,-1.1 52,-2.6 -19,-0.0 -1,-0.3 -0.976 50.8-132.1-166.0 145.9 8.3 12.8 16.0 66 81 A L E -C 116 0A 20 -2,-0.3 50,-0.2 50,-0.2 -20,-0.0 -0.710 52.1 -85.5 -94.8 153.3 5.7 12.6 13.3 67 82 A D > - 0 0 65 48,-1.8 3,-1.8 -2,-0.3 -1,-0.1 -0.431 40.0-137.6 -57.1 124.3 6.5 14.0 9.8 68 83 A P T 3 S+ 0 0 128 0, 0.0 23,-0.2 0, 0.0 -1,-0.2 0.703 100.9 56.9 -63.3 -18.0 5.7 17.7 10.3 69 84 A S T 3 S+ 0 0 87 21,-0.1 -2,-0.1 2,-0.0 2,-0.0 0.438 80.0 121.6 -91.9 1.3 3.9 17.9 6.9 70 85 A A < - 0 0 13 -3,-1.8 21,-0.5 45,-0.1 2,-0.3 -0.335 40.0-178.2 -63.3 140.8 1.5 15.0 7.9 71 86 A K - 0 0 90 42,-0.3 2,-0.5 19,-0.1 42,-0.5 -0.906 31.5-114.4-137.5 160.3 -2.2 16.0 7.7 72 87 A I E -D 89 0A 0 17,-2.9 17,-2.6 -2,-0.3 2,-0.4 -0.893 41.8-171.4 -93.4 128.4 -5.5 14.3 8.5 73 88 A E E -DE 88 111A 85 38,-2.4 38,-3.2 -2,-0.5 2,-0.4 -0.975 17.1-169.0-129.3 142.0 -7.4 13.8 5.2 74 89 A V E -DE 87 110A 0 13,-2.6 13,-2.5 -2,-0.4 2,-0.4 -0.987 6.0-169.9-128.1 131.4 -10.9 12.7 4.4 75 90 A T E +D 86 0A 62 34,-0.5 34,-0.3 -2,-0.4 2,-0.3 -0.981 16.5 154.4-123.0 133.0 -12.1 11.9 0.9 76 91 A Y E -D 85 0A 20 9,-2.4 9,-3.1 -2,-0.4 2,-0.6 -0.966 43.5-107.3-150.7 165.0 -15.7 11.3 -0.1 77 92 A Y E -D 84 0A 120 -2,-0.3 2,-0.8 7,-0.2 7,-0.3 -0.885 27.5-141.3-100.2 116.8 -18.1 11.5 -3.0 78 93 A D E >>> -D 83 0A 11 5,-3.3 4,-1.7 -2,-0.6 5,-1.2 -0.755 10.7-160.2 -78.4 114.6 -20.6 14.4 -2.8 79 94 A K T 345S+ 0 0 112 -2,-0.8 -1,-0.2 1,-0.2 25,-0.1 0.812 87.5 52.4 -66.6 -32.6 -23.8 12.8 -4.2 80 95 A N T 345S+ 0 0 150 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.572 120.4 32.8 -79.7 -16.9 -25.4 16.2 -4.9 81 96 A K T <45S- 0 0 120 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.519 97.1-136.5-110.9 -15.3 -22.4 17.5 -6.9 82 97 A K T <5 + 0 0 136 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.871 67.7 116.2 56.1 39.5 -21.4 14.0 -8.3 83 98 A K E > + 0 0 17 -2,-0.7 3,-2.8 1,-0.2 4,-2.2 0.224 37.0 121.3-103.6 13.7 -20.2 14.4 7.1 102 117 A S T 34 + 0 0 70 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.651 63.2 69.9 -53.0 -20.2 -23.2 12.1 7.6 103 118 A E T 34 S+ 0 0 128 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.815 116.6 22.7 -68.3 -26.3 -25.0 14.0 4.9 104 119 A H T <4 S+ 0 0 66 -3,-2.8 2,-0.3 1,-0.4 -2,-0.2 0.724 137.8 6.0-110.0 -33.7 -22.6 12.5 2.3 105 120 A I < - 0 0 50 -4,-2.2 -1,-0.4 1,-0.1 -4,-0.1 -0.954 51.0-150.5-158.9 134.9 -21.3 9.4 4.0 106 121 A K S S+ 0 0 167 -2,-0.3 -4,-0.1 1,-0.2 -1,-0.1 0.772 96.7 33.1 -77.8 -28.8 -22.1 7.6 7.2 107 122 A N S S+ 0 0 20 -100,-0.1 -1,-0.2 -6,-0.1 -100,-0.1 -0.582 76.8 179.4-129.1 65.4 -18.7 6.1 7.9 108 123 A P - 0 0 3 0, 0.0 -99,-2.0 0, 0.0 2,-0.7 -0.470 23.2-135.5 -70.1 139.6 -16.1 8.5 6.6 109 124 A G E -b 9 0A 12 -34,-0.3 2,-0.8 -101,-0.2 -34,-0.5 -0.886 8.5-153.2 -99.7 114.6 -12.5 7.4 7.1 110 125 A F E -bE 10 74A 0 -101,-3.3 -99,-3.0 -2,-0.7 2,-0.3 -0.801 24.5-145.8 -86.0 109.6 -10.2 10.2 8.4 111 126 A N E -bE 11 73A 49 -38,-3.2 -38,-2.4 -2,-0.8 2,-0.5 -0.637 26.7-178.7 -88.0 134.6 -6.8 9.2 7.1 112 127 A L E +b 12 0A 1 -101,-2.8 -99,-3.2 -2,-0.3 2,-0.7 -0.905 13.7 168.6-127.8 95.1 -3.4 9.7 8.8 113 128 A I E +b 13 0A 108 -2,-0.5 2,-0.3 -42,-0.5 -42,-0.3 -0.938 26.8 126.6-110.3 106.4 -0.8 8.3 6.4 114 129 A T E -b 14 0A 13 -101,-1.4 -99,-2.1 -2,-0.7 2,-0.3 -0.974 57.4-105.2-155.7 170.1 2.7 9.3 7.6 115 130 A K E -b 15 0A 114 -2,-0.3 -48,-1.8 -101,-0.2 2,-0.4 -0.779 32.1-166.4 -99.4 141.2 6.2 8.4 8.6 116 131 A V E -bC 16 66A 1 -101,-2.7 -99,-2.6 -2,-0.3 2,-0.5 -0.995 17.6-134.2-131.3 136.7 7.1 8.4 12.3 117 132 A V E -bC 17 65A 25 -52,-2.6 -53,-2.5 -2,-0.4 -52,-1.1 -0.815 31.4-176.2 -88.6 126.6 10.6 8.3 13.9 118 133 A I E + C 0 63A 2 -101,-2.7 2,-0.3 -2,-0.5 -99,-0.2 -0.875 8.3 172.4-122.3 157.3 10.7 5.8 16.8 119 134 A E E - C 0 62A 81 -57,-1.7 -57,-2.9 -2,-0.3 2,-0.1 -0.987 39.7 -85.7-156.3 161.0 13.4 4.8 19.3 120 135 A K 0 0 159 -2,-0.3 -59,-0.1 -59,-0.2 -62,-0.0 -0.434 360.0 360.0 -70.6 146.3 13.9 2.7 22.4 121 136 A K 0 0 178 -61,-0.3 -1,-0.1 -2,-0.1 -60,-0.0 -0.323 360.0 360.0 -69.1 360.0 13.0 4.4 25.6