==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 07-APR-93 1PTK . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR A.MUELLER,W.SAENGER . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.1 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 . 3 1.1 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 . 22 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 1 0 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 30 0, 0.0 24,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 167.8 -9.4 11.8 -16.9 2 2 A A E -A 24 0A 59 22,-0.2 2,-0.6 2,-0.0 22,-0.2 -0.987 360.0-160.6-146.6 130.3 -7.8 9.8 -14.1 3 3 A Q E > -A 23 0A 30 20,-2.0 20,-2.4 -2,-0.4 3,-0.7 -0.934 21.4-151.9-109.6 106.6 -6.4 10.6 -10.7 4 4 A T T 3 S+ 0 0 96 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.439 76.9 13.7 -77.5 154.5 -4.1 7.8 -9.5 5 5 A N T 3 S+ 0 0 141 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.871 90.7 170.0 46.8 40.8 -3.6 7.1 -5.8 6 6 A A < - 0 0 11 15,-2.4 -1,-0.1 -3,-0.7 76,-0.1 -0.346 45.9 -80.4 -72.5 162.6 -6.7 9.2 -5.1 7 7 A P >> - 0 0 24 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.317 48.7-109.4 -60.3 146.9 -8.3 9.3 -1.7 8 8 A W H 3> S+ 0 0 29 1,-0.2 4,-2.8 199,-0.2 5,-0.2 0.870 115.4 57.4 -50.2 -43.9 -10.5 6.3 -1.2 9 9 A G H 3> S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.838 106.3 49.2 -55.3 -42.5 -13.8 8.2 -1.4 10 10 A L H <4 S+ 0 0 1 -3,-0.8 4,-0.5 2,-0.2 -1,-0.2 0.903 113.2 46.6 -67.0 -42.1 -13.0 9.7 -4.8 11 11 A A H >< S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 13,-0.2 0.951 109.7 54.1 -64.4 -44.8 -12.1 6.3 -6.2 12 12 A R H >< S+ 0 0 5 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.861 102.8 57.7 -53.9 -42.7 -15.2 4.7 -4.7 13 13 A I T 3< S+ 0 0 0 -4,-1.6 262,-2.5 1,-0.3 -1,-0.3 0.589 109.6 44.0 -68.3 -13.8 -17.4 7.2 -6.4 14 14 A S T < S+ 0 0 10 -3,-1.8 2,-0.3 -4,-0.5 -1,-0.3 0.041 107.7 72.2-120.2 23.8 -16.1 6.3 -9.8 15 15 A S < - 0 0 13 -3,-1.5 242,-0.1 1,-0.1 4,-0.1 -0.989 63.0-148.2-140.8 149.5 -16.2 2.5 -9.3 16 16 A T S S+ 0 0 84 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.599 91.7 53.8 -86.4 -12.7 -18.8 -0.2 -9.1 17 17 A S S > S- 0 0 57 -3,-0.0 3,-0.6 -5,-0.0 -3,-0.1 -0.928 83.2-121.8-125.2 146.6 -16.4 -2.0 -6.7 18 18 A P T 3 S+ 0 0 59 0, 0.0 3,-0.1 0, 0.0 168,-0.1 -0.327 85.3 48.9 -77.4 165.2 -14.7 -1.1 -3.5 19 19 A G T 3 S+ 0 0 78 166,-0.3 2,-0.1 1,-0.3 167,-0.0 0.466 73.9 128.4 88.0 0.6 -10.9 -1.1 -3.1 20 20 A T < - 0 0 52 -3,-0.6 -1,-0.3 -12,-0.1 -8,-0.2 -0.404 43.7-157.5 -83.0 169.6 -9.9 0.7 -6.2 21 21 A S + 0 0 62 -10,-0.1 -15,-2.4 -2,-0.1 2,-0.5 0.373 59.9 88.0-130.1 3.4 -7.5 3.6 -6.1 22 22 A T - 0 0 24 -17,-0.2 2,-0.8 -18,-0.2 -18,-0.2 -0.906 60.2-147.5-110.8 134.1 -8.1 5.6 -9.2 23 23 A Y E -A 3 0A 0 -20,-2.4 -20,-2.0 -2,-0.5 2,-0.4 -0.869 16.9-163.4 -97.1 106.5 -10.7 8.4 -9.6 24 24 A Y E +A 2 0A 110 -2,-0.8 2,-0.3 -13,-0.2 -22,-0.2 -0.749 23.1 148.6 -93.2 139.5 -12.0 8.4 -13.1 25 25 A Y - 0 0 35 -24,-2.0 2,-0.3 -2,-0.4 60,-0.0 -0.994 49.0 -87.1-162.8 162.1 -13.9 11.5 -14.2 26 26 A D > - 0 0 47 -2,-0.3 3,-2.3 1,-0.1 4,-0.1 -0.615 35.3-127.6 -78.5 135.0 -14.7 13.8 -17.0 27 27 A E T 3 S+ 0 0 107 -2,-0.3 -1,-0.1 1,-0.3 -25,-0.0 0.746 103.3 76.4 -50.9 -31.9 -12.2 16.6 -17.7 28 28 A S T > S- 0 0 38 1,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.836 76.1-174.5 -51.1 -32.1 -15.0 19.2 -17.5 29 29 A A T < - 0 0 1 -3,-2.3 58,-2.7 1,-0.3 59,-0.4 0.724 64.6 -56.3 44.5 34.1 -14.8 18.7 -13.8 30 30 A G T > S+ 0 0 0 206,-0.4 3,-1.8 1,-0.2 59,-0.3 0.586 83.0 164.3 79.7 9.7 -17.8 20.9 -12.8 31 31 A Q T < + 0 0 127 -3,-2.5 -1,-0.2 1,-0.2 57,-0.2 -0.328 65.3 32.9 -59.4 136.2 -16.6 24.1 -14.5 32 32 A G T 3 S+ 0 0 26 55,-0.4 93,-2.7 1,-0.4 94,-0.5 0.200 101.6 96.8 101.3 -19.1 -19.4 26.5 -14.9 33 33 A S E < -b 126 0B 1 -3,-1.8 56,-1.7 92,-0.2 2,-0.4 -0.627 60.7-140.3-102.7 165.9 -21.2 25.4 -11.7 34 34 A a E -bc 127 89B 2 92,-2.4 94,-3.3 -2,-0.2 2,-0.5 -0.983 7.5-163.3-132.7 137.6 -21.2 26.9 -8.2 35 35 A V E -bc 128 90B 0 54,-2.6 56,-2.2 -2,-0.4 2,-0.5 -0.952 8.3-153.7-121.2 120.6 -21.2 25.3 -4.8 36 36 A Y E -bc 129 91B 0 92,-3.3 94,-2.6 -2,-0.5 2,-0.7 -0.818 8.5-155.1 -90.4 129.7 -22.0 27.2 -1.7 37 37 A V E -bc 130 92B 2 54,-3.0 56,-2.8 -2,-0.5 2,-1.0 -0.922 4.8-165.9-109.5 103.5 -20.4 25.8 1.4 38 38 A I E + c 0 93B 0 92,-1.8 94,-0.5 -2,-0.7 56,-0.2 -0.809 49.9 88.8 -92.7 97.4 -22.4 26.6 4.5 39 39 A D E S- c 0 94B 0 54,-2.0 57,-2.4 -2,-1.0 56,-1.7 -0.461 94.9 -38.9-152.9-140.2 -20.1 25.8 7.3 40 40 A T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.2 0.376 96.9 -92.3 -88.5 -2.8 -17.3 27.3 9.5 41 41 A G - 0 0 1 52,-0.3 -1,-0.4 24,-0.2 2,-0.4 -0.577 40.3 -92.3 114.3-177.4 -15.9 29.2 6.6 42 42 A I - 0 0 4 21,-0.5 2,-2.3 -2,-0.2 3,-0.1 -0.997 17.4-129.3-137.4 134.1 -13.2 28.3 4.0 43 43 A E > - 0 0 44 -2,-0.4 3,-2.5 1,-0.2 6,-0.2 -0.555 33.1-176.5 -80.0 78.2 -9.5 29.0 4.0 44 44 A A T 3 S+ 0 0 33 -2,-2.3 7,-0.4 1,-0.3 9,-0.3 0.739 72.5 66.5 -48.9 -29.6 -9.7 30.5 0.6 45 45 A S T 3 + 0 0 105 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.542 69.5 123.1 -74.2 -8.4 -5.9 31.0 0.4 46 46 A H X - 0 0 8 -3,-2.5 3,-2.5 1,-0.2 5,-0.5 -0.376 66.7-135.0 -58.5 122.5 -5.2 27.3 0.4 47 47 A P G > S+ 0 0 98 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.735 101.3 70.7 -49.9 -27.8 -3.2 26.5 -2.6 48 48 A E G 3 S+ 0 0 20 1,-0.2 32,-2.0 2,-0.1 34,-0.1 0.752 93.0 56.0 -64.1 -23.9 -5.5 23.5 -3.2 49 49 A F G X S- 0 0 0 -3,-2.5 3,-2.7 30,-0.2 -1,-0.2 0.624 92.8-148.4 -83.2 -15.9 -8.3 25.8 -4.1 50 50 A E T < - 0 0 97 -3,-1.0 -2,-0.1 -4,-0.4 -5,-0.1 0.724 67.7 -58.6 53.2 28.2 -6.3 27.4 -6.9 51 51 A G T 3 S+ 0 0 66 -5,-0.5 -1,-0.3 -7,-0.4 -6,-0.1 0.628 113.4 117.5 79.5 13.1 -8.1 30.7 -6.3 52 52 A R < + 0 0 24 -3,-2.7 38,-3.2 -8,-0.1 2,-0.4 0.324 58.8 82.6 -90.9 1.7 -11.5 29.1 -7.0 53 53 A A E +d 90 0B 9 -9,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.890 51.7 172.5-114.3 145.1 -12.7 29.8 -3.5 54 54 A Q E -d 91 0B 107 36,-2.0 38,-3.0 -2,-0.4 2,-0.3 -0.993 29.7-130.7-148.4 140.2 -14.2 32.9 -2.0 55 55 A M E +d 92 0B 38 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.679 29.4 168.7 -83.5 137.3 -15.8 33.9 1.3 56 56 A V E + 0 0 30 36,-2.6 2,-0.3 1,-0.3 37,-0.2 0.494 59.0 18.6-127.4 -9.5 -19.0 35.7 0.6 57 57 A K E -d 93 0B 75 35,-1.1 37,-3.5 6,-0.1 -1,-0.3 -0.878 50.6-178.4-169.1 133.4 -20.7 35.9 4.0 58 58 A T E -d 94 0B 39 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.968 16.1-164.2-133.2 147.4 -20.0 35.6 7.7 59 59 A Y S S+ 0 0 69 35,-1.6 2,-0.2 -2,-0.3 36,-0.1 0.231 76.9 62.5-110.2 7.8 -22.3 35.9 10.6 60 60 A Y S S- 0 0 51 2,-0.3 -2,-0.1 34,-0.1 34,-0.1 -0.643 104.1 -84.1-124.0 178.7 -19.4 36.4 13.1 61 61 A Y S S+ 0 0 237 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.806 111.7 35.3 -57.4 -32.9 -16.7 38.9 13.7 62 62 A S - 0 0 51 2,-0.1 -2,-0.3 1,-0.1 -3,-0.2 -0.915 63.9-144.3-125.6 156.1 -14.5 37.3 11.1 63 63 A S + 0 0 56 -2,-0.3 -21,-0.5 -5,-0.1 2,-0.2 0.478 69.1 111.6 -90.3 -7.0 -14.9 35.5 7.8 64 64 A R S S- 0 0 67 -23,-0.1 2,-1.0 1,-0.1 -2,-0.1 -0.456 72.7-121.1 -80.5 142.7 -12.1 33.1 8.6 65 65 A D + 0 0 9 -2,-0.2 -24,-0.2 1,-0.2 -1,-0.1 -0.664 36.9 165.4 -77.3 101.4 -12.3 29.4 9.3 66 66 A G S S+ 0 0 41 -2,-1.0 -1,-0.2 -26,-0.4 -25,-0.1 0.341 75.2 52.7 -97.7 2.6 -10.8 29.0 12.7 67 67 A N S S- 0 0 42 -27,-0.2 146,-0.1 -3,-0.0 -2,-0.1 0.819 87.8-146.9-100.8 -57.5 -12.3 25.5 12.9 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.4 -27,-0.1 -25,-0.1 -0.071 73.6 93.0 115.9 -36.7 -11.1 23.8 9.8 69 69 A H H > S+ 0 0 33 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.898 84.0 56.6 -64.6 -32.0 -14.0 21.4 9.0 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.937 109.2 47.0 -59.2 -44.0 -15.5 24.0 6.7 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 140,-0.3 0.903 111.0 53.3 -61.8 -39.9 -12.2 24.0 4.8 72 72 A H H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 139,-0.4 0.939 110.3 46.7 -58.8 -49.0 -12.3 20.2 4.9 73 73 A C H X S+ 0 0 0 -4,-3.2 4,-1.6 1,-0.2 3,-0.4 0.935 111.3 49.4 -62.2 -48.8 -15.8 20.1 3.4 74 74 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.875 107.2 58.1 -56.6 -39.1 -15.0 22.6 0.7 75 75 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.876 105.0 48.7 -59.4 -41.3 -11.9 20.5 -0.1 76 76 A T H < S+ 0 0 2 -4,-1.6 8,-1.8 -3,-0.4 -1,-0.2 0.801 110.7 54.1 -70.8 -28.0 -14.0 17.4 -0.8 77 77 A V H < S- 0 0 0 -4,-1.6 8,-2.6 6,-0.2 7,-0.4 0.964 136.3 -19.8 -69.9 -56.2 -16.3 19.4 -3.0 78 78 A G H < S+ 0 0 0 -4,-2.5 -3,-0.2 5,-0.2 -2,-0.2 0.205 81.7 136.7-153.5 34.6 -13.7 20.9 -5.3 79 79 A S X - 0 0 0 -4,-2.4 4,-1.0 -5,-0.2 -30,-0.2 -0.330 60.6-113.9 -73.6 162.2 -10.1 21.0 -4.2 80 80 A R T 4 S+ 0 0 132 -32,-2.0 -1,-0.1 1,-0.1 6,-0.1 0.975 109.1 20.4 -58.4 -58.0 -7.6 20.0 -6.8 81 81 A T T 4 S+ 0 0 40 1,-0.1 -1,-0.1 -33,-0.1 5,-0.0 0.782 136.7 31.0 -85.8 -33.8 -6.3 16.8 -5.1 82 82 A Y T 4 S+ 0 0 34 -7,-0.2 2,-0.2 -34,-0.1 -2,-0.1 0.489 97.6 99.6-107.0 -6.4 -9.2 16.0 -2.8 83 83 A G < - 0 0 0 -4,-1.0 3,-0.3 1,-0.1 -6,-0.2 -0.503 57.8-148.5 -93.4 157.5 -12.3 17.3 -4.6 84 84 A V S S+ 0 0 0 -8,-1.8 2,-0.9 -7,-0.4 -6,-0.2 0.904 99.2 41.0 -80.1 -50.6 -14.9 15.7 -6.7 85 85 A A S > S- 0 0 0 -8,-2.6 3,-1.3 -9,-0.2 -1,-0.3 -0.825 74.6-175.2-104.9 88.3 -15.6 18.7 -9.0 86 86 A K T 3 S+ 0 0 15 -2,-0.9 -56,-0.2 -3,-0.3 -1,-0.1 0.573 77.7 40.4 -65.1 -13.1 -12.1 19.9 -9.5 87 87 A K T 3 S+ 0 0 93 -58,-2.7 -55,-0.4 -59,-0.1 -1,-0.3 0.240 86.3 120.7-123.9 15.0 -13.0 23.0 -11.5 88 88 A T < - 0 0 0 -3,-1.3 2,-0.4 -59,-0.4 -54,-0.2 -0.235 64.1-112.5 -74.3 165.5 -16.1 24.3 -9.6 89 89 A Q E -c 34 0B 76 -56,-1.7 -54,-2.6 -59,-0.3 2,-0.5 -0.854 29.6-151.3-100.0 132.2 -16.4 27.6 -8.0 90 90 A L E -cd 35 53B 0 -38,-3.2 -36,-2.0 -2,-0.4 2,-0.5 -0.919 12.8-174.7-112.5 134.0 -16.6 27.7 -4.2 91 91 A F E -cd 36 54B 10 -56,-2.2 -54,-3.0 -2,-0.5 2,-0.4 -0.986 15.7-146.5-124.4 120.8 -18.4 30.2 -2.1 92 92 A G E -cd 37 55B 0 -38,-3.0 -36,-2.6 -2,-0.5 -35,-1.1 -0.742 11.7-171.3 -94.7 137.7 -18.1 30.1 1.7 93 93 A V E -cd 38 57B 0 -56,-2.8 -54,-2.0 -2,-0.4 2,-1.1 -0.989 16.0-146.9-124.7 113.2 -20.9 31.1 4.0 94 94 A K E +cd 39 58B 2 -37,-3.5 -35,-1.6 -2,-0.5 -54,-0.2 -0.717 43.3 140.7 -89.2 93.3 -19.9 31.2 7.7 95 95 A V + 0 0 0 -56,-1.7 2,-0.3 -2,-1.1 8,-0.2 0.612 59.7 69.6-100.2 -21.6 -22.9 30.2 9.8 96 96 A L S S- 0 0 8 -57,-2.4 6,-0.2 -3,-0.2 -37,-0.1 -0.739 79.8-125.0-101.7 147.7 -20.9 28.2 12.3 97 97 A D > - 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