==== 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 1C76 . 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 . 121 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 64.5 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 . 13 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.3 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 3 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.3 12.9 -14.8 14.2 2 17 A Y + 0 0 208 2,-0.1 2,-0.2 0, 0.0 0, 0.0 0.711 360.0 58.1 -81.2 -20.9 15.6 -14.9 11.6 3 18 A F S S- 0 0 151 1,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.602 105.3 -74.1-107.7 165.5 13.5 -17.1 9.2 4 19 A E - 0 0 151 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.244 63.6 -94.9 -58.0 151.6 10.0 -16.6 7.7 5 20 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 102,-0.1 -0.243 24.1-149.1 -62.8 155.3 7.2 -17.1 10.4 6 21 A T S S+ 0 0 131 2,-0.1 -2,-0.1 -3,-0.1 3,-0.1 0.480 75.2 32.6-106.2 -6.2 5.6 -20.5 10.6 7 22 A G S S- 0 0 25 100,-0.2 100,-0.1 1,-0.1 28,-0.1 -0.714 103.6 -52.0-135.9-173.0 2.2 -19.3 11.7 8 23 A P + 0 0 29 0, 0.0 26,-2.1 0, 0.0 2,-0.3 -0.293 59.6 177.2 -60.1 139.9 -0.3 -16.4 11.3 9 24 A Y E -Ab 33 109A 40 99,-2.3 101,-3.5 24,-0.3 2,-0.5 -0.999 32.3-121.8-150.5 153.0 1.2 -13.1 12.0 10 25 A L E -Ab 32 110A 0 22,-3.5 22,-2.4 -2,-0.3 2,-0.6 -0.796 24.5-154.1 -93.0 131.5 0.2 -9.5 12.0 11 26 A M E -Ab 31 111A 29 99,-3.4 101,-3.0 -2,-0.5 2,-0.6 -0.934 6.9-159.1-109.0 113.1 2.4 -7.4 9.8 12 27 A V E +Ab 30 112A 1 18,-2.8 18,-0.9 -2,-0.6 2,-0.4 -0.853 18.6 167.1-102.8 121.8 2.6 -3.6 10.8 13 28 A N E + b 0 113A 38 99,-3.0 101,-1.4 -2,-0.6 2,-0.4 -0.808 19.7 166.1-130.4 89.2 3.7 -1.1 8.1 14 29 A V E - b 0 114A 8 -2,-0.4 2,-0.6 14,-0.3 14,-0.3 -0.852 33.2-149.7-123.4 146.2 3.0 2.3 9.4 15 30 A T E - b 0 115A 25 99,-2.6 101,-2.1 -2,-0.4 2,-0.5 -0.906 20.6-148.7-106.0 124.3 3.9 5.8 8.5 16 31 A G E +Cb 25 116A 0 9,-1.6 8,-3.2 -2,-0.6 9,-1.6 -0.805 21.1 174.5 -95.1 131.8 4.0 8.1 11.4 17 32 A V E -Cb 23 117A 17 99,-2.5 101,-2.2 -2,-0.5 6,-0.2 -0.815 26.1-119.3-127.7 169.3 3.1 11.7 10.8 18 33 A D > - 0 0 40 4,-1.5 3,-1.7 -2,-0.3 4,-0.1 -0.362 47.2 -82.8 -96.7-179.1 2.6 14.7 13.1 19 34 A G T 3 S+ 0 0 79 1,-0.3 98,-0.0 99,-0.2 100,-0.0 0.797 129.9 49.9 -58.4 -21.2 -0.5 16.7 13.6 20 35 A K T 3 S- 0 0 171 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.394 118.9-102.8 -99.1 4.1 0.3 18.7 10.5 21 36 A G < + 0 0 55 -3,-1.7 2,-0.5 1,-0.3 -2,-0.1 0.981 68.9 145.3 74.5 55.4 1.0 15.9 8.1 22 37 A N - 0 0 83 -4,-0.1 -4,-1.5 0, 0.0 -1,-0.3 -0.992 52.6-123.0-119.5 134.1 4.7 16.0 8.1 23 38 A E E +C 17 0A 121 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.622 36.8 170.0 -77.7 138.8 6.0 12.5 7.7 24 39 A L E + 0 0 53 -8,-3.2 2,-0.4 1,-0.3 -7,-0.2 0.694 63.2 28.6-113.4 -34.7 8.3 11.6 10.6 25 40 A L E -C 16 0A 15 -9,-1.6 -9,-1.6 33,-0.0 -1,-0.3 -0.997 68.2-138.6-137.8 131.2 8.8 7.9 10.2 26 41 A S - 0 0 63 -2,-0.4 -12,-0.2 -11,-0.2 -11,-0.1 -0.454 50.1 -72.5 -83.7 157.7 8.7 5.5 7.2 27 42 A P - 0 0 60 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.191 49.2-162.1 -50.9 132.8 7.0 2.1 7.3 28 43 A H - 0 0 92 -14,-0.3 -14,-0.3 -16,-0.1 2,-0.3 -0.980 20.8-123.5-118.9 121.9 9.1 -0.3 9.4 29 44 A Y + 0 0 126 -2,-0.5 2,-0.4 -16,-0.1 -16,-0.2 -0.478 43.2 162.4 -64.4 121.0 8.4 -4.0 8.9 30 45 A V E -A 12 0A 26 -18,-0.9 -18,-2.8 -2,-0.3 2,-0.4 -0.991 19.3-157.5-142.7 136.3 7.5 -5.4 12.2 31 46 A E E -A 11 0A 53 -2,-0.4 -20,-0.2 -20,-0.2 78,-0.0 -0.907 9.3-172.6-118.1 144.9 5.8 -8.7 12.8 32 47 A F E -A 10 0A 32 -22,-2.4 -22,-3.5 -2,-0.4 -2,-0.0 -0.991 28.6-122.8-133.7 125.2 3.8 -10.0 15.8 33 48 A P E -A 9 0A 109 0, 0.0 2,-0.3 0, 0.0 -24,-0.3 -0.338 35.3-176.2 -63.4 147.2 2.6 -13.7 15.9 34 49 A I - 0 0 15 -26,-2.1 76,-0.0 4,-0.0 -2,-0.0 -0.988 16.9-132.2-144.6 152.1 -1.2 -14.0 16.3 35 50 A K > - 0 0 144 -2,-0.3 3,-2.0 -28,-0.1 63,-0.3 -0.903 24.2-109.9-115.0 139.6 -3.6 -16.9 16.7 36 51 A P T 3 S+ 0 0 49 0, 0.0 64,-0.1 0, 0.0 3,-0.1 -0.204 107.3 38.9 -52.5 147.7 -6.9 -17.7 14.9 37 52 A G T 3 S+ 0 0 55 61,-3.2 2,-0.2 1,-0.4 63,-0.0 0.249 87.3 123.5 92.9 -17.7 -9.8 -17.2 17.3 38 53 A T < - 0 0 28 -3,-2.0 60,-3.1 60,-0.1 2,-0.6 -0.497 61.3-131.2 -74.9 145.8 -8.2 -14.1 18.8 39 54 A T E -G 97 0B 59 58,-0.2 2,-0.6 -2,-0.2 58,-0.2 -0.913 17.6-160.0-104.2 123.1 -10.3 -10.9 18.7 40 55 A L E -G 96 0B 1 56,-2.6 56,-1.7 -2,-0.6 52,-0.3 -0.927 15.3-179.9-104.8 118.4 -8.4 -7.9 17.4 41 56 A T > - 0 0 29 -2,-0.6 4,-2.4 54,-0.2 52,-0.2 -0.585 43.6 -99.7-110.0 172.6 -10.0 -4.6 18.3 42 57 A K H > S+ 0 0 54 50,-1.7 4,-3.0 1,-0.2 5,-0.2 0.913 121.8 51.4 -60.4 -42.8 -9.0 -1.1 17.5 43 58 A E H > S+ 0 0 122 2,-0.2 4,-1.9 50,-0.2 -1,-0.2 0.895 108.6 49.3 -65.4 -38.6 -7.4 -0.6 21.0 44 59 A K H > S+ 0 0 83 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.935 112.1 50.9 -65.2 -38.4 -5.3 -3.8 20.7 45 60 A I H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.926 105.6 53.5 -64.8 -40.0 -4.2 -2.5 17.3 46 61 A E H X S+ 0 0 49 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.882 109.8 49.9 -63.6 -33.5 -3.3 0.9 18.6 47 62 A Y H X S+ 0 0 110 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.952 107.8 52.3 -69.6 -44.7 -1.1 -0.9 21.1 48 63 A Y H X S+ 0 0 42 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.922 109.2 49.9 -55.6 -40.1 0.5 -3.1 18.5 49 64 A V H X S+ 0 0 1 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.935 111.1 49.7 -67.9 -36.1 1.4 0.1 16.5 50 65 A E H >X S+ 0 0 47 -4,-2.1 4,-0.9 1,-0.2 3,-0.6 0.938 110.5 49.5 -61.5 -46.6 2.9 1.7 19.6 51 66 A W H >< S+ 0 0 126 -4,-3.2 3,-0.9 1,-0.2 4,-0.3 0.900 107.2 56.8 -58.2 -41.3 4.9 -1.5 20.2 52 67 A A H >< S+ 0 0 6 -4,-2.6 3,-1.1 -5,-0.3 -1,-0.2 0.838 102.1 55.7 -60.2 -30.4 6.0 -1.3 16.6 53 68 A L H X< S+ 0 0 3 -4,-1.5 3,-1.3 -3,-0.6 5,-0.4 0.738 91.9 70.5 -73.3 -24.7 7.4 2.2 17.2 54 69 A D T << S+ 0 0 88 -4,-0.9 -1,-0.2 -3,-0.9 5,-0.2 0.649 88.3 64.6 -66.6 -12.8 9.6 1.0 20.0 55 70 A A T < S+ 0 0 75 -3,-1.1 -1,-0.3 -4,-0.3 2,-0.2 0.007 107.5 49.3 -96.5 26.5 11.7 -0.8 17.4 56 71 A T S X S- 0 0 24 -3,-1.3 3,-1.0 -28,-0.0 -31,-0.0 -0.837 105.3 -83.2-147.1-176.7 12.6 2.7 16.0 57 72 A A T 3 S+ 0 0 82 1,-0.3 3,-0.4 -2,-0.2 -3,-0.1 0.589 119.8 64.9 -72.0 -10.0 13.9 6.1 17.1 58 73 A Y T > + 0 0 65 -5,-0.4 3,-2.8 1,-0.2 -1,-0.3 0.072 61.8 128.0-102.8 27.5 10.3 7.2 18.0 59 74 A K T < S+ 0 0 94 -3,-1.0 -1,-0.2 1,-0.3 -5,-0.2 0.795 70.8 53.8 -52.4 -30.7 10.1 4.6 20.8 60 75 A E T 3 S+ 0 0 54 -3,-0.4 61,-2.5 -7,-0.1 -1,-0.3 0.379 91.7 100.6 -88.7 8.0 9.0 7.3 23.3 61 76 A F E < -D 120 0A 36 -3,-2.8 2,-0.3 59,-0.2 59,-0.3 -0.604 58.4-151.7 -91.4 151.4 6.2 8.4 21.1 62 77 A R E -D 119 0A 83 57,-3.7 57,-2.3 -2,-0.2 2,-0.4 -0.857 24.4-103.1-119.7 157.4 2.5 7.4 21.6 63 78 A V E +D 118 0A 19 -2,-0.3 55,-0.2 55,-0.2 3,-0.1 -0.628 30.1 179.5 -82.3 133.9 -0.3 7.0 19.0 64 79 A V E - 0 0 72 53,-3.0 2,-0.3 -2,-0.4 54,-0.2 0.765 68.7 -17.2 -97.0 -38.3 -2.7 9.8 19.0 65 80 A E E -D 117 0A 111 52,-1.4 52,-3.7 -19,-0.0 -1,-0.4 -0.861 56.6-137.7-173.5 140.1 -4.9 8.5 16.2 66 81 A L E -D 116 0A 5 -2,-0.3 50,-0.2 50,-0.3 -20,-0.0 -0.649 47.5 -87.1 -94.1 151.2 -4.9 6.0 13.4 67 82 A D > - 0 0 55 48,-2.1 3,-2.0 -2,-0.3 -1,-0.1 -0.423 41.0-142.2 -58.0 118.5 -6.2 6.7 10.0 68 83 A P T 3 S+ 0 0 107 0, 0.0 23,-0.3 0, 0.0 -1,-0.2 0.758 97.4 56.6 -63.1 -18.0 -9.9 5.7 10.6 69 84 A S T 3 S+ 0 0 89 21,-0.1 -2,-0.1 2,-0.0 2,-0.0 0.354 80.3 121.8 -92.2 6.8 -10.2 4.1 7.2 70 85 A A < - 0 0 8 -3,-2.0 21,-0.8 45,-0.1 2,-0.3 -0.345 41.2-174.4 -63.8 150.1 -7.3 1.7 7.8 71 86 A K E -E 90 0A 87 42,-0.3 42,-0.5 19,-0.2 2,-0.5 -0.935 27.7-114.5-142.9 164.2 -8.1 -2.0 7.5 72 87 A I E -EF 89 112A 0 17,-2.8 17,-3.0 -2,-0.3 2,-0.4 -0.883 38.9-173.1-100.4 130.8 -6.4 -5.2 8.1 73 88 A E E -EF 88 111A 87 38,-2.4 38,-2.8 -2,-0.5 2,-0.4 -0.974 15.1-171.5-132.1 141.4 -5.8 -7.2 4.9 74 89 A V E -E 87 0A 0 13,-2.2 13,-1.9 -2,-0.4 2,-0.4 -0.988 6.3-165.1-129.9 137.1 -4.6 -10.7 4.1 75 90 A T E +E 86 0A 59 34,-0.5 34,-0.3 -2,-0.4 2,-0.3 -0.957 16.7 157.3-121.4 140.9 -3.8 -12.1 0.6 76 91 A Y E -E 85 0A 8 9,-2.0 9,-3.0 -2,-0.4 2,-0.6 -0.988 43.3-106.8-157.8 157.2 -3.3 -15.7 -0.3 77 92 A Y E -E 84 0A 115 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.781 33.3-137.4 -87.2 112.8 -3.5 -18.1 -3.3 78 93 A D E >> -E 83 0A 7 5,-3.3 4,-1.8 -2,-0.6 5,-1.0 -0.650 11.5-152.1 -73.4 124.7 -6.5 -20.4 -2.9 79 94 A K T 45S+ 0 0 121 -2,-0.5 -1,-0.2 2,-0.2 25,-0.1 0.928 88.5 46.4 -64.9 -49.3 -5.2 -23.8 -3.9 80 95 A N T 45S+ 0 0 112 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.982 120.6 36.0 -55.9 -64.7 -8.5 -25.2 -5.2 81 96 A K T 45S- 0 0 113 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.702 94.1-132.5 -67.9 -22.8 -9.5 -22.3 -7.3 82 97 A K T <5 + 0 0 157 -4,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.898 67.5 129.6 66.4 37.7 -6.0 -21.2 -8.5 83 98 A K E < -E 78 0A 129 -5,-1.0 -5,-3.3 -7,-0.0 2,-0.4 -0.962 65.3-123.5-128.7 144.0 -7.2 -17.8 -7.5 84 99 A E E -E 77 0A 137 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.735 34.6-166.0 -83.2 134.2 -5.7 -15.0 -5.5 85 100 A E E -E 76 0A 50 -9,-3.0 -9,-2.0 -2,-0.4 2,-0.4 -0.911 8.0-164.2-121.4 148.3 -8.2 -14.1 -2.7 86 101 A T E -E 75 0A 73 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.999 2.7-170.0-135.7 132.6 -8.2 -11.1 -0.5 87 102 A K E -E 74 0A 80 -13,-1.9 -13,-2.2 -2,-0.4 2,-0.4 -0.970 7.4-163.0-120.7 136.5 -10.1 -10.6 2.8 88 103 A S E -E 73 0A 56 -2,-0.4 -15,-0.2 -15,-0.2 -2,-0.0 -0.974 2.3-164.6-124.9 137.1 -10.3 -7.2 4.5 89 104 A F E -E 72 0A 33 -17,-3.0 -17,-2.8 -2,-0.4 2,-0.1 -0.951 18.5-131.1-121.4 134.7 -11.3 -6.5 8.1 90 105 A P E -E 71 0A 62 0, 0.0 2,-1.0 0, 0.0 -19,-0.2 -0.478 21.2-118.8 -82.0 157.3 -12.2 -3.1 9.4 91 106 A I + 0 0 20 -21,-0.8 2,-0.2 -23,-0.3 -50,-0.1 -0.805 51.6 152.0-100.4 98.9 -10.7 -1.8 12.5 92 107 A T - 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