==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEINASE 30-NOV-87 2PRK . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR C.BETZEL,G.P.PAL,W.SAENGER . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 14.0 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 . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 20.8 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 0 1 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 3 1 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 29 0, 0.0 24,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.2 -9.3 12.0 -16.9 2 2 A A E -A 24 0A 63 22,-0.2 2,-0.6 2,-0.0 22,-0.2 -0.984 360.0-155.9-147.8 133.9 -7.9 9.9 -14.1 3 3 A Q E > -A 23 0A 30 20,-2.7 20,-2.6 -2,-0.4 3,-0.6 -0.958 20.8-150.5-109.0 114.3 -6.4 10.7 -10.7 4 4 A T T 3 S+ 0 0 106 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.449 76.8 16.2 -83.5 153.0 -4.0 7.9 -9.6 5 5 A N T 3 S+ 0 0 141 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.894 90.6 170.5 49.7 40.4 -3.5 7.2 -5.8 6 6 A A < - 0 0 11 15,-2.2 -1,-0.1 -3,-0.6 76,-0.1 -0.402 45.5 -81.6 -72.9 155.5 -6.7 9.2 -5.1 7 7 A P >> - 0 0 25 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.327 49.8-109.8 -50.4 143.2 -8.3 9.3 -1.6 8 8 A W H 3> S+ 0 0 47 1,-0.2 4,-2.1 199,-0.2 12,-0.1 0.778 114.1 56.8 -53.7 -37.5 -10.5 6.2 -1.3 9 9 A G H 3> S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.840 106.0 49.3 -68.0 -37.5 -13.8 8.1 -1.4 10 10 A L H <> S+ 0 0 2 -3,-0.8 4,-0.6 2,-0.2 14,-0.2 0.921 113.1 48.0 -63.9 -45.1 -13.1 9.7 -4.8 11 11 A A H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.913 109.3 55.1 -57.6 -39.1 -12.1 6.2 -6.1 12 12 A R H >< S+ 0 0 5 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.906 102.6 54.3 -64.7 -42.6 -15.2 4.8 -4.7 13 13 A I H 3< S+ 0 0 0 -4,-1.8 262,-2.9 1,-0.3 263,-0.3 0.552 111.0 45.8 -68.4 -14.2 -17.5 7.2 -6.5 14 14 A S T << S+ 0 0 12 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.3 0.163 106.9 74.9-113.8 17.0 -16.1 6.3 -9.9 15 15 A S < - 0 0 16 -3,-1.5 242,-0.1 1,-0.1 261,-0.1 -0.930 64.0-148.2-133.0 155.1 -16.1 2.5 -9.3 16 16 A T S S+ 0 0 85 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.680 90.6 48.8 -88.2 -15.3 -18.6 -0.3 -9.3 17 17 A S S S- 0 0 61 1,-0.0 3,-0.5 -3,-0.0 -3,-0.1 -0.918 82.9-115.2-127.7 147.0 -16.4 -2.0 -6.7 18 18 A P S S+ 0 0 61 0, 0.0 168,-0.1 0, 0.0 -2,-0.1 -0.162 88.6 47.9 -69.5 168.6 -14.7 -1.2 -3.4 19 19 A G S S+ 0 0 82 166,-0.5 2,-0.2 1,-0.2 167,-0.0 0.452 72.8 126.3 78.2 7.0 -10.9 -1.3 -3.1 20 20 A T - 0 0 59 -3,-0.5 -1,-0.2 -12,-0.1 -9,-0.1 -0.526 42.7-158.6 -88.9 164.2 -9.7 0.7 -6.2 21 21 A S + 0 0 64 -2,-0.2 -15,-2.2 -10,-0.1 2,-0.4 0.360 60.5 88.8-126.4 1.5 -7.4 3.7 -6.0 22 22 A T - 0 0 23 -17,-0.2 2,-0.6 -18,-0.2 -18,-0.2 -0.918 60.5-148.3-108.1 132.1 -8.0 5.7 -9.2 23 23 A Y E -A 3 0A 0 -20,-2.6 -20,-2.7 -2,-0.4 2,-0.5 -0.894 16.6-164.4 -97.2 113.0 -10.6 8.4 -9.5 24 24 A Y E +A 2 0A 111 -2,-0.6 2,-0.3 -14,-0.2 -22,-0.2 -0.898 22.2 149.7-102.2 133.8 -11.9 8.5 -13.1 25 25 A Y - 0 0 34 -24,-2.0 2,-0.3 -2,-0.5 60,-0.0 -0.970 49.8 -92.2-159.3 155.9 -13.8 11.6 -14.2 26 26 A D > - 0 0 53 -2,-0.3 3,-1.8 1,-0.1 4,-0.1 -0.602 36.3-126.6 -70.7 139.9 -14.7 13.8 -17.1 27 27 A E T 3 S+ 0 0 106 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.648 102.1 81.3 -68.9 -10.9 -12.2 16.7 -17.5 28 28 A S T > S- 0 0 21 1,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.874 74.3-178.4 -57.3 -37.9 -15.1 19.2 -17.5 29 29 A A T < - 0 0 1 -3,-1.8 58,-2.8 1,-0.3 59,-0.4 0.730 64.5 -54.4 48.5 37.8 -14.8 18.7 -13.8 30 30 A G T > S+ 0 0 0 206,-0.4 3,-2.0 1,-0.2 59,-0.3 0.588 84.4 162.1 80.2 6.8 -17.7 20.9 -12.7 31 31 A Q T < + 0 0 106 -3,-2.5 -1,-0.2 1,-0.2 57,-0.2 -0.375 67.1 29.2 -62.4 137.2 -16.5 24.1 -14.5 32 32 A G T 3 S+ 0 0 31 1,-0.4 93,-2.2 55,-0.4 94,-0.5 0.154 102.5 99.6 100.0 -18.7 -19.4 26.5 -14.8 33 33 A S < - 0 0 1 -3,-2.0 56,-1.9 92,-0.2 -1,-0.4 -0.570 59.4-147.0 -95.4 162.8 -21.1 25.3 -11.7 34 34 A a E -bc 89 127B 3 92,-2.0 94,-2.2 -2,-0.2 2,-0.5 -0.987 5.6-162.1-131.4 139.0 -21.0 26.9 -8.2 35 35 A V E -bc 90 128B 0 54,-2.9 56,-2.2 -2,-0.4 2,-0.5 -0.983 7.5-152.9-124.9 123.3 -21.1 25.3 -4.8 36 36 A Y E -bc 91 129B 0 92,-3.0 94,-2.8 -2,-0.5 2,-0.7 -0.803 7.8-157.6 -88.6 123.7 -22.0 27.2 -1.6 37 37 A V E -bc 92 130B 2 54,-2.8 56,-2.4 -2,-0.5 2,-0.8 -0.938 5.3-164.0-104.1 108.8 -20.4 25.6 1.5 38 38 A I E +b 93 0B 0 92,-2.1 94,-0.4 -2,-0.7 56,-0.2 -0.865 50.0 86.1 -97.7 105.0 -22.5 26.7 4.5 39 39 A D E S-b 94 0B 0 54,-2.2 57,-2.3 -2,-0.8 56,-2.0 -0.540 96.3 -33.2-165.5-141.4 -20.3 25.9 7.5 40 40 A T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.3 0.349 98.0 -92.4 -86.4 -1.4 -17.4 27.4 9.6 41 41 A G - 0 0 1 52,-0.4 2,-0.4 24,-0.2 -1,-0.4 -0.573 39.1 -91.1 113.0-178.0 -15.9 29.2 6.6 42 42 A I - 0 0 4 21,-0.5 2,-1.7 -2,-0.2 23,-0.2 -0.994 18.4-130.2-137.3 131.8 -13.3 28.3 4.0 43 43 A E > - 0 0 41 -2,-0.4 3,-1.9 1,-0.2 6,-0.1 -0.719 32.4-175.3 -80.5 90.8 -9.5 29.0 4.0 44 44 A A T 3 S+ 0 0 34 -2,-1.7 7,-0.4 1,-0.3 9,-0.4 0.712 72.6 63.1 -65.6 -21.0 -9.7 30.5 0.5 45 45 A S T 3 S+ 0 0 101 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.358 70.3 123.9 -81.9 -3.6 -5.9 31.0 0.3 46 46 A H X - 0 0 9 -3,-1.9 3,-2.4 1,-0.1 4,-0.5 -0.506 68.1-131.0 -61.1 128.5 -5.2 27.3 0.6 47 47 A P G > S+ 0 0 103 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.733 102.5 69.6 -50.2 -31.3 -3.1 26.3 -2.5 48 48 A E G 3 S+ 0 0 22 1,-0.3 32,-2.6 2,-0.1 34,-0.1 0.629 93.4 56.6 -65.8 -15.6 -5.5 23.4 -3.2 49 49 A F G X S- 0 0 0 -3,-2.4 3,-2.4 30,-0.2 -1,-0.3 0.638 91.4-149.3 -90.2 -21.0 -8.4 25.8 -4.1 50 50 A E T < - 0 0 102 -3,-1.1 -2,-0.1 -4,-0.5 -5,-0.1 0.740 67.4 -56.5 58.4 32.8 -6.3 27.4 -6.9 51 51 A G T 3 S+ 0 0 72 -7,-0.4 -1,-0.3 -5,-0.4 -6,-0.1 0.503 115.7 113.5 75.1 10.0 -8.0 30.8 -6.4 52 52 A R < + 0 0 37 -3,-2.4 38,-2.7 26,-0.1 2,-0.4 0.385 59.5 77.2 -88.9 -1.1 -11.5 29.1 -7.0 53 53 A A E +d 90 0B 10 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.871 52.8 169.6-109.9 147.8 -12.7 29.7 -3.5 54 54 A Q E -d 91 0B 78 36,-1.7 38,-2.4 -2,-0.4 2,-0.3 -0.963 33.5-122.7-152.8 144.0 -14.1 32.9 -1.9 55 55 A M E +d 92 0B 40 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.657 29.4 173.3 -77.3 139.2 -15.9 33.9 1.3 56 56 A V E + 0 0 31 36,-2.8 2,-0.3 1,-0.4 37,-0.2 0.573 61.4 10.6-123.1 -19.8 -19.1 35.7 0.5 57 57 A K E -d 93 0B 75 35,-1.4 37,-2.4 6,-0.1 -1,-0.4 -0.964 53.7-170.1-161.0 135.1 -20.8 36.1 3.9 58 58 A T E -d 94 0B 40 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.968 13.3-165.6-119.7 159.9 -20.0 35.8 7.6 59 59 A Y S S+ 0 0 68 35,-1.6 2,-0.2 -2,-0.3 36,-0.1 0.146 76.4 61.9-117.9 4.9 -22.3 35.9 10.6 60 60 A Y S S- 0 0 66 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.612 105.1 -83.5-120.5-174.9 -19.5 36.3 13.1 61 61 A Y S S+ 0 0 240 -2,-0.2 2,-0.3 2,-0.0 -3,-0.0 0.753 110.5 32.1 -65.6 -28.5 -16.7 38.9 13.7 62 62 A S - 0 0 35 2,-0.1 -2,-0.4 1,-0.0 -3,-0.2 -0.902 64.8-140.4-128.2 161.5 -14.4 37.4 11.0 63 63 A S + 0 0 53 -2,-0.3 -21,-0.5 -5,-0.1 2,-0.1 0.435 69.4 109.1 -96.7 -3.0 -14.8 35.6 7.7 64 64 A R S S- 0 0 166 -23,-0.1 2,-1.0 1,-0.1 -2,-0.1 -0.420 74.9-117.5 -84.2 149.8 -12.0 33.2 8.4 65 65 A D + 0 0 9 -23,-0.2 -24,-0.2 1,-0.2 -1,-0.1 -0.728 36.5 169.5 -77.6 104.9 -12.3 29.5 9.1 66 66 A G S S+ 0 0 38 -2,-1.0 -1,-0.2 -26,-0.4 -25,-0.1 0.375 74.2 48.8 -95.0 -0.3 -10.9 29.2 12.7 67 67 A N S S- 0 0 46 -27,-0.3 146,-0.1 30,-0.1 31,-0.1 0.861 89.3-136.1-107.2 -58.0 -12.1 25.6 13.0 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.4 -27,-0.1 5,-0.2 -0.101 78.2 99.2 122.0 -32.1 -11.1 23.6 9.9 69 69 A H H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.906 84.3 47.0 -54.0 -48.4 -14.4 21.8 9.3 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.906 112.7 50.2 -63.7 -41.3 -15.7 24.1 6.6 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 140,-0.3 0.910 109.8 51.0 -62.5 -40.3 -12.3 24.0 4.8 72 72 A H H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 139,-0.4 0.960 112.6 45.7 -62.9 -50.1 -12.3 20.1 4.9 73 73 A C H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.912 112.5 49.9 -60.4 -49.8 -15.8 20.0 3.4 74 74 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.893 107.1 56.6 -55.3 -40.5 -15.0 22.5 0.7 75 75 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.895 105.7 50.4 -62.5 -37.3 -11.9 20.5 -0.1 76 76 A T H < S+ 0 0 1 -4,-1.8 8,-2.0 2,-0.2 -1,-0.2 0.847 111.6 49.4 -69.7 -34.3 -14.0 17.4 -0.7 77 77 A V H < S- 0 0 0 -4,-1.8 8,-2.7 6,-0.2 -2,-0.2 0.960 137.9 -15.8 -65.6 -51.7 -16.3 19.4 -3.0 78 78 A G H < S+ 0 0 0 -4,-2.8 -3,-0.2 5,-0.2 -2,-0.2 0.283 80.9 131.7-150.6 21.7 -13.7 21.0 -5.2 79 79 A S X - 0 0 0 -4,-2.3 4,-1.5 -5,-0.3 -30,-0.2 -0.403 62.2-114.9 -71.6 159.7 -10.0 21.1 -4.1 80 80 A R T 4 S+ 0 0 139 -32,-2.6 6,-0.1 1,-0.2 -1,-0.1 0.937 109.6 24.2 -57.4 -51.4 -7.5 19.9 -6.8 81 81 A T T 4 S+ 0 0 35 1,-0.1 -1,-0.2 -33,-0.1 5,-0.0 0.824 134.5 31.4 -87.7 -35.2 -6.3 16.8 -5.0 82 82 A Y T 4 S+ 0 0 35 -34,-0.1 2,-0.2 -7,-0.1 -2,-0.2 0.423 97.2 101.8-108.1 5.6 -9.2 16.0 -2.7 83 83 A G < - 0 0 0 -4,-1.5 3,-0.3 1,-0.1 -6,-0.2 -0.596 57.4-149.3-110.0 153.5 -12.2 17.2 -4.6 84 84 A V S S+ 0 0 0 -8,-2.0 2,-0.8 1,-0.3 -6,-0.2 0.909 100.4 37.1 -75.5 -46.9 -14.9 15.6 -6.7 85 85 A A S > S- 0 0 0 -8,-2.7 3,-1.6 -9,-0.2 -1,-0.3 -0.826 73.3-175.6-116.8 90.0 -15.5 18.6 -9.0 86 86 A K T 3 S+ 0 0 15 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.499 77.9 41.6 -73.7 -9.4 -12.0 19.9 -9.5 87 87 A K T 3 S+ 0 0 105 -58,-2.8 -55,-0.4 2,-0.1 -1,-0.3 0.284 85.9 121.0-119.7 10.9 -12.9 23.0 -11.5 88 88 A T < - 0 0 0 -3,-1.6 2,-0.5 -59,-0.4 -54,-0.2 -0.195 64.9-114.1 -72.8 161.7 -16.0 24.2 -9.7 89 89 A Q E -b 34 0B 55 -56,-1.9 -54,-2.9 -59,-0.3 2,-0.4 -0.870 29.9-152.2 -93.6 131.3 -16.4 27.6 -8.0 90 90 A L E -bd 35 53B 0 -38,-2.7 -36,-1.7 -2,-0.5 2,-0.4 -0.910 11.3-171.7-110.3 136.5 -16.7 27.6 -4.2 91 91 A F E -bd 36 54B 6 -56,-2.2 -54,-2.8 -2,-0.4 2,-0.4 -0.989 14.2-145.8-126.5 127.1 -18.5 30.2 -2.1 92 92 A G E -bd 37 55B 0 -38,-2.4 -36,-2.8 -2,-0.4 -35,-1.4 -0.787 13.8-175.3-101.4 136.7 -18.2 30.2 1.7 93 93 A V E -bd 38 57B 0 -56,-2.4 -54,-2.2 -2,-0.4 2,-1.0 -0.984 17.0-149.1-124.1 114.5 -21.0 31.2 4.0 94 94 A K E +bd 39 58B 3 -37,-2.4 -35,-1.6 -2,-0.5 -54,-0.2 -0.742 41.2 143.0 -94.8 100.3 -19.9 31.1 7.7 95 95 A V + 0 0 0 -56,-2.0 2,-0.4 -2,-1.0 8,-0.2 0.505 58.7 71.9-104.5 -17.8 -22.9 30.3 9.8 96 96 A L S S- 0 0 14 -57,-2.3 6,-0.2 -3,-0.2 -37,-0.1 -0.870 79.9-127.0-104.0 141.0 -20.9 28.2 12.3 97 97 A D > - 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