==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUN-98 1SSN . COMPND 2 MOLECULE: STAPHYLOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR O.OHLENSCHLAGER,R.RAMACHANDRAN,K.H.GUHRS,B.SCHLOTT,L.R.BROWN . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 29 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 S 0 0 72 0, 0.0 74,-2.2 0, 0.0 73,-0.6 0.000 360.0 360.0 360.0 -60.0 -16.7 11.5 5.3 2 2 A S + 0 0 9 2,-0.3 2,-1.7 72,-0.2 71,-0.2 0.236 360.0 70.9-158.3 -54.3 -15.0 8.8 3.4 3 3 A S S S- 0 0 47 1,-0.2 38,-0.1 36,-0.1 65,-0.0 -0.518 101.2-103.3 -86.1 69.4 -12.5 10.2 0.8 4 4 A F - 0 0 52 -2,-1.7 -2,-0.3 64,-0.1 -1,-0.2 0.326 13.9-121.7 51.9-174.4 -9.8 11.5 3.2 5 5 A D S S+ 0 0 101 -3,-0.1 -1,-0.1 -4,-0.1 -2,-0.0 0.013 102.3 49.6-149.9 32.2 -9.2 15.1 4.4 6 6 A K S S- 0 0 124 39,-0.0 -2,-0.1 0, 0.0 65,-0.0 0.526 84.2-152.4-131.3 -58.9 -5.5 15.5 3.2 7 7 A G - 0 0 21 34,-0.1 36,-0.1 1,-0.1 37,-0.1 0.968 68.6 -18.2 77.9 90.5 -5.5 14.3 -0.4 8 8 A K S S+ 0 0 113 33,-0.3 36,-0.3 34,-0.2 35,-0.1 0.847 92.5 132.4 56.8 42.5 -2.2 12.8 -1.8 9 9 A Y > - 0 0 127 2,-0.0 3,-1.6 4,-0.0 35,-0.2 0.838 40.6-166.1 -89.0 -40.8 -0.1 14.3 1.1 10 10 A K G > S- 0 0 17 33,-0.6 3,-0.9 1,-0.3 35,-0.2 0.855 71.7 -65.2 45.3 48.9 1.9 11.3 2.2 11 11 A K G 3 S- 0 0 90 33,-0.9 -1,-0.3 1,-0.3 3,-0.1 0.193 91.6 -65.4 67.5 -12.3 3.0 13.1 5.4 12 12 A G G < S+ 0 0 42 -3,-1.6 2,-1.6 1,-0.1 -1,-0.3 -0.178 113.1 110.8 123.7 -36.9 4.9 15.7 3.3 13 13 A D < + 0 0 84 -3,-0.9 2,-1.0 33,-0.1 -1,-0.1 -0.568 36.6 168.3 -78.3 85.5 7.5 13.2 1.9 14 14 A D + 0 0 94 -2,-1.6 2,-1.5 -3,-0.1 3,-0.2 -0.674 2.1 171.8 -99.6 73.5 6.5 13.0 -1.8 15 15 A A + 0 0 25 -2,-1.0 -2,-0.1 1,-0.2 6,-0.1 -0.639 9.9 159.6 -84.8 79.8 9.6 11.2 -3.1 16 16 A S - 0 0 79 -2,-1.5 -1,-0.2 1,-0.1 2,-0.2 0.970 56.5 -61.4 -70.6 -59.0 8.2 10.6 -6.6 17 17 A Y S S+ 0 0 83 -3,-0.2 4,-0.1 1,-0.1 -1,-0.1 -0.588 76.9 116.6-159.0-143.3 11.4 9.9 -8.7 18 18 A F S S- 0 0 153 -2,-0.2 -1,-0.1 -3,-0.1 74,-0.0 0.977 87.4 -27.6 57.0 88.1 14.6 11.8 -9.6 19 19 A E S S- 0 0 74 1,-0.1 2,-1.1 2,-0.1 73,-0.1 0.320 99.4 -51.8 68.3 163.0 17.7 10.0 -8.2 20 20 A P S S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 73,-0.1 -0.622 71.9 158.4 -68.1 99.9 17.9 7.7 -5.0 21 21 A T - 0 0 63 -2,-1.1 -2,-0.1 1,-0.2 -3,-0.0 0.935 52.5 -53.7 -90.1 -76.7 16.3 10.2 -2.5 22 22 A G - 0 0 21 100,-0.1 -1,-0.2 -7,-0.1 100,-0.2 -0.928 53.4 -97.9-172.8 149.0 14.9 8.3 0.5 23 23 A P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 101,-0.2 -0.089 33.9 179.0 -76.1 170.0 12.6 5.3 1.3 24 24 A Y E -a 124 0A 11 99,-1.6 101,-1.2 24,-0.1 2,-0.4 -0.970 26.5-142.5-163.5 162.6 8.9 5.2 2.3 25 25 A L E -aB 125 47A 11 22,-1.6 22,-2.5 -2,-0.3 2,-0.7 -0.885 22.9-162.1-138.7 97.4 6.0 2.9 3.1 26 26 A M E -a 126 0A 10 99,-2.0 101,-0.9 -2,-0.4 2,-0.7 -0.784 4.4-167.5 -99.0 108.3 2.7 4.3 1.7 27 27 A V E +a 127 0A 0 -2,-0.7 18,-0.2 18,-0.5 2,-0.2 -0.846 36.5 100.9-110.1 99.8 -0.4 2.8 3.3 28 28 A N E -a 128 0A 0 99,-2.0 101,-0.8 -2,-0.7 2,-0.3 -0.734 55.6-108.7-150.1-163.9 -3.8 3.4 1.6 29 29 A V E -a 129 0A 1 99,-0.2 2,-1.4 -2,-0.2 101,-0.2 -0.989 18.8-123.8-138.0 150.7 -6.4 1.8 -0.7 30 30 A T E -a 130 0A 44 99,-1.0 101,-1.1 -2,-0.3 2,-1.0 -0.734 44.0-162.3 -84.1 80.0 -7.6 2.1 -4.3 31 31 A G E +aC 131 40A 0 -2,-1.4 9,-1.8 9,-0.9 8,-1.6 -0.633 19.6 165.2 -79.8 100.4 -11.1 2.5 -2.8 32 32 A V E -aC 132 38A 5 99,-1.5 101,-1.8 -2,-1.0 6,-0.2 -0.595 49.5-113.7-109.8 169.5 -13.6 1.9 -5.7 33 33 A D S S- 0 0 58 4,-1.1 5,-0.1 -2,-0.2 -1,-0.1 0.928 78.7 -72.9 -63.8 -49.3 -17.3 1.2 -6.0 34 34 A S S S+ 0 0 60 98,-0.1 -2,-0.1 45,-0.0 4,-0.0 -0.044 125.6 39.0-178.5 -58.5 -16.7 -2.4 -7.2 35 35 A K S S- 0 0 182 2,-0.1 -3,-0.1 97,-0.0 3,-0.0 0.988 126.6 -65.7 -75.7 -73.7 -15.5 -2.2 -10.8 36 36 A G S S+ 0 0 51 -5,-0.0 2,-1.1 94,-0.0 -5,-0.0 0.213 82.0 133.5-176.2 28.3 -13.1 0.8 -10.9 37 37 A N - 0 0 105 1,-0.0 -4,-1.1 2,-0.0 2,-0.4 -0.797 57.2-135.1 -90.5 94.3 -15.1 4.0 -10.3 38 38 A E E +C 32 0A 89 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.390 29.7 179.4 -66.4 110.2 -12.7 5.5 -7.7 39 39 A L E S+ 0 0 74 -8,-1.6 2,-0.3 -2,-0.4 -7,-0.2 0.863 77.0 13.5 -70.6 -41.5 -14.5 6.9 -4.7 40 40 A L E S-C 31 0A 2 -9,-1.8 -9,-0.9 -38,-0.1 -1,-0.3 -0.999 73.4-133.0-144.0 138.2 -11.2 7.9 -3.0 41 41 A S - 0 0 36 -2,-0.3 -33,-0.3 -11,-0.1 3,-0.2 -0.677 24.4-131.6 -88.4 142.0 -7.6 8.1 -4.2 42 42 A P S S+ 0 0 9 0, 0.0 -34,-0.2 0, 0.0 -1,-0.1 0.047 71.3 78.3 -73.5-171.6 -4.7 6.6 -2.2 43 43 A H + 0 0 60 2,-0.2 -33,-0.6 -35,-0.1 -15,-0.1 0.565 61.8 106.1 87.2 17.8 -1.3 8.2 -1.1 44 44 A Y S S+ 0 0 6 -36,-0.3 -33,-0.9 -35,-0.2 2,-0.4 0.842 74.1 51.3 -94.0 -39.0 -2.5 10.4 1.8 45 45 A V + 0 0 25 -18,-0.2 -18,-0.5 -35,-0.2 2,-0.3 -0.839 66.7 162.8 -99.1 138.0 -1.1 8.3 4.7 46 46 A E - 0 0 8 -2,-0.4 -20,-0.2 -20,-0.2 -33,-0.1 -0.953 17.7-164.3-157.9 135.3 2.6 7.3 4.7 47 47 A F B -B 25 0A 89 -22,-2.5 -22,-1.6 -2,-0.3 2,-0.1 -0.930 33.3-104.5-120.3 143.7 5.0 6.0 7.3 48 48 A P - 0 0 84 0, 0.0 -24,-0.1 0, 0.0 -2,-0.0 -0.475 54.1 -93.8 -68.3 137.5 8.9 5.9 7.1 49 49 A I + 0 0 44 -2,-0.1 -24,-0.0 1,-0.0 -23,-0.0 -0.274 47.4 168.7 -64.2 135.3 10.0 2.3 6.6 50 50 A K > - 0 0 173 -3,-0.1 3,-0.6 -2,-0.0 2,-0.1 -0.825 28.2-141.8-142.6 97.4 10.9 0.1 9.6 51 51 A P T 3 + 0 0 81 0, 0.0 3,-0.1 0, 0.0 61,-0.0 -0.425 70.0 83.2 -72.6 135.6 11.2 -3.6 8.5 52 52 A G T 3 + 0 0 47 1,-0.5 3,-0.0 -2,-0.1 60,-0.0 -0.015 56.2 110.6 162.9 -41.7 9.8 -6.1 11.0 53 53 A T S < S- 0 0 52 -3,-0.6 60,-1.6 1,-0.1 2,-1.1 -0.259 80.6-103.2 -61.2 145.7 6.1 -6.3 10.4 54 54 A T E -H 112 0B 44 58,-0.2 2,-1.8 1,-0.1 5,-0.4 -0.640 31.0-149.4 -78.8 97.5 4.7 -9.6 8.9 55 55 A L E +H 111 0B 7 -2,-1.1 56,-0.7 56,-0.5 2,-0.3 -0.513 54.8 114.0 -74.3 81.2 4.2 -8.6 5.2 56 56 A T S > S- 0 0 0 -2,-1.8 3,-0.6 54,-0.1 52,-0.2 -0.909 83.6 -90.2-150.4 165.6 1.3 -11.0 4.6 57 57 A K T >> S+ 0 0 27 50,-2.2 4,-2.4 -2,-0.3 3,-1.7 0.850 120.7 59.1 -54.4 -43.5 -2.5 -11.0 3.8 58 58 A E H 3> S+ 0 0 59 50,-0.9 4,-0.9 1,-0.3 -1,-0.2 0.909 113.9 36.4 -50.8 -50.6 -3.4 -11.0 7.5 59 59 A K H <4 S+ 0 0 57 -3,-0.6 -1,-0.3 -5,-0.4 -2,-0.2 -0.158 116.2 54.4-102.8 38.0 -1.5 -7.7 8.2 60 60 A I H <> S+ 0 0 2 -3,-1.7 4,-1.5 -5,-0.1 5,-0.2 0.473 101.7 58.5-122.3 -38.1 -2.4 -6.1 4.8 61 61 A E H X S+ 0 0 82 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.965 121.7 20.9 -54.5 -67.7 -6.2 -6.6 5.2 62 62 A Y H X S+ 0 0 87 -4,-0.9 4,-2.1 -5,-0.2 -1,-0.2 0.639 114.7 72.2 -81.7 -18.1 -6.7 -4.6 8.5 63 63 A Y H > S+ 0 0 63 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.941 104.3 37.3 -66.7 -49.5 -3.5 -2.6 8.1 64 64 A V H X S+ 0 0 5 -4,-1.5 4,-2.0 2,-0.2 5,-0.2 0.799 113.5 60.1 -68.5 -31.1 -4.7 -0.4 5.2 65 65 A E H X S+ 0 0 49 -4,-0.7 4,-1.6 -5,-0.2 -2,-0.2 0.883 105.6 46.9 -64.0 -41.0 -8.2 -0.3 6.9 66 66 A W H X S+ 0 0 143 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.819 109.3 55.9 -69.8 -33.3 -6.7 1.3 10.0 67 67 A A H < S+ 0 0 5 -4,-1.2 -2,-0.2 2,-0.2 3,-0.2 0.954 112.1 39.4 -65.3 -52.9 -4.8 3.9 7.9 68 68 A L H >X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 3,-0.7 0.833 113.8 55.8 -66.7 -33.7 -7.9 5.2 6.0 69 69 A D H 3< S+ 0 0 29 -4,-1.6 2,-0.5 1,-0.3 -1,-0.2 0.821 96.6 65.3 -67.6 -30.5 -9.9 5.0 9.3 70 70 A A T 3< S+ 0 0 84 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.1 -0.143 113.6 32.7 -81.9 38.7 -7.2 7.3 10.9 71 71 A T T <4 S- 0 0 28 -3,-0.7 -2,-0.2 -2,-0.5 -1,-0.2 0.247 138.8 -0.2-150.8 -53.2 -8.4 10.0 8.5 72 72 A A < + 0 0 19 -4,-2.3 -3,-0.2 -70,-0.2 -70,-0.1 0.685 56.7 160.0-108.5 -94.1 -12.2 9.5 7.9 73 73 A Y + 0 0 156 -5,-0.2 -71,-0.1 -71,-0.2 -4,-0.1 0.975 53.7 96.6 55.0 64.1 -14.0 6.6 9.7 74 74 A K S S+ 0 0 130 -73,-0.6 2,-0.4 0, 0.0 -72,-0.2 0.456 91.8 20.4-137.8 -54.2 -17.5 8.1 9.3 75 75 A E S S+ 0 0 63 -74,-2.2 2,-0.3 60,-0.0 -2,-0.1 -0.758 96.3 110.1-125.2 78.2 -19.1 6.5 6.2 76 76 A F + 0 0 14 -2,-0.4 59,-0.2 59,-0.2 57,-0.0 -0.927 13.5 135.2-159.5 126.8 -17.0 3.3 5.7 77 77 A R - 0 0 168 57,-1.4 58,-0.1 -2,-0.3 -1,-0.1 0.499 51.2-129.8-146.4 -38.3 -18.1 -0.3 6.2 78 78 A V - 0 0 26 56,-0.7 55,-0.2 2,-0.1 3,-0.1 0.775 10.8-150.0 76.6 119.5 -16.8 -2.4 3.3 79 79 A V S S- 0 0 97 53,-1.9 2,-0.3 1,-0.4 54,-0.2 0.954 80.5 -24.5 -68.5 -59.2 -18.9 -4.8 1.2 80 80 A E E -D 132 0A 124 52,-1.5 52,-2.2 2,-0.0 2,-0.4 -0.971 55.4-137.8-153.2 154.2 -15.9 -7.0 0.4 81 81 A L E -D 131 0A 53 -2,-0.3 50,-0.2 50,-0.2 4,-0.1 -0.958 33.4-111.3-118.6 140.7 -12.1 -6.8 0.3 82 82 A D - 0 0 40 48,-1.0 3,-0.2 -2,-0.4 48,-0.0 -0.500 11.9-145.7 -76.5 137.3 -10.2 -8.6 -2.5 83 83 A P S S+ 0 0 78 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 0.834 91.8 71.2 -69.8 -33.8 -8.0 -11.6 -1.6 84 84 A S S S+ 0 0 97 21,-0.1 46,-0.2 46,-0.0 -2,-0.1 -0.488 71.1 169.2 -85.1 65.6 -5.4 -10.7 -4.2 85 85 A A - 0 0 4 -2,-1.7 2,-0.3 -3,-0.2 44,-0.1 -0.359 17.0-151.5 -70.6 158.7 -4.0 -7.6 -2.5 86 86 A K E -E 128 0A 80 42,-0.6 42,-1.1 -2,-0.1 2,-0.4 -0.945 20.0-151.4-142.1 155.1 -0.8 -6.1 -3.9 87 87 A I E -EF 127 104A 0 17,-2.3 17,-0.9 -2,-0.3 2,-0.8 -0.991 8.9-162.0-129.9 117.6 2.3 -4.2 -3.0 88 88 A E E - 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0 0 77 -9,-0.3 2,-1.5 -2,-0.2 -9,-0.7 -0.896 32.2-150.1-141.3 104.8 10.9 -1.1 -11.5 101 101 A T E -F 90 0A 75 -2,-0.3 2,-1.2 -11,-0.2 -11,-0.2 -0.630 16.1-163.3 -77.5 88.6 7.3 -1.2 -10.2 102 102 A K E -F 89 0A 99 -13,-2.1 2,-1.3 -2,-1.5 -13,-1.1 -0.672 4.2-169.7 -80.3 95.8 7.4 -4.7 -8.8 103 103 A S E +F 88 0A 64 -2,-1.2 -15,-0.2 -15,-0.2 -1,-0.1 -0.463 15.0 171.3 -90.5 61.2 3.7 -5.4 -8.4 104 104 A F E -F 87 0A 50 -2,-1.3 -17,-2.3 -17,-0.9 -15,-0.1 -0.449 23.8-140.8 -71.1 145.1 3.9 -8.6 -6.4 105 105 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -18,-0.2 0.726 29.1 -95.1 -78.8-118.8 0.5 -9.9 -5.0 106 106 A I - 0 0 22 -20,-0.1 2,-0.3 4,-0.0 -50,-0.1 -0.980 19.3-146.9-162.9 159.2 0.3 -11.5 -1.4 107 107 A T > - 0 0 71 -2,-0.3 -50,-2.2 -52,-0.2 3,-0.6 -0.941 27.6-118.9-134.0 155.7 0.3 -14.8 0.5 108 108 A E T 3 S+ 0 0 111 -2,-0.3 -50,-0.9 1,-0.3 -1,-0.1 0.895 106.4 1.7 -64.3 -48.8 -1.5 -15.8 3.7 109 109 A K T 3 S+ 0 0 162 -53,-0.1 -1,-0.3 -52,-0.1 -53,-0.1 -0.493 95.0 131.1-138.8 62.8 1.5 -16.5 5.9 110 110 A G < - 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