==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 07-AUG-91 3PRK . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR W.M.WOLF,J.BAJORATH,A.MUELLER,S.RAGHUNATHAN,T.P.SINGH,W.HINR . 283 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 7.1 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 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 19.8 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 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 4 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 . 4 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 E A 0 0 37 0, 0.0 24,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 168.6 -9.1 12.0 -17.0 2 2 E A E -A 24 0A 58 22,-0.2 2,-0.8 2,-0.0 22,-0.2 -0.952 360.0-153.5-147.8 124.1 -7.8 9.8 -14.2 3 3 E Q E > -A 23 0A 32 20,-2.4 20,-3.1 -2,-0.4 3,-0.5 -0.855 20.1-152.7-101.8 111.5 -6.4 10.5 -10.8 4 4 E T T 3 S+ 0 0 91 -2,-0.8 18,-0.2 18,-0.2 -2,-0.0 -0.533 74.4 12.7 -75.3 147.8 -4.1 7.9 -9.7 5 5 E N T 3 S+ 0 0 137 -2,-0.2 -1,-0.2 1,-0.1 17,-0.2 0.903 90.0 166.8 50.8 45.3 -3.6 7.1 -6.0 6 6 E A < - 0 0 12 15,-2.6 -1,-0.1 -3,-0.5 76,-0.1 -0.462 47.2 -79.1 -85.0 165.3 -6.6 9.2 -5.1 7 7 E P >> - 0 0 24 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.300 48.2-111.0 -63.8 145.1 -8.3 9.2 -1.7 8 8 E W H 3> S+ 0 0 29 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.864 113.0 58.7 -48.5 -41.6 -10.5 6.1 -1.4 9 9 E G H 3> S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.831 106.3 46.3 -57.7 -45.3 -13.7 8.2 -1.5 10 10 E L H <4 S+ 0 0 2 -3,-0.8 4,-0.4 2,-0.2 -1,-0.2 0.880 115.0 47.7 -65.6 -46.2 -13.1 9.7 -4.9 11 11 E A H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.929 108.8 54.2 -57.1 -49.9 -12.1 6.4 -6.3 12 12 E R H >< S+ 0 0 5 -4,-3.2 3,-1.2 1,-0.3 -1,-0.2 0.861 103.6 56.7 -52.4 -41.5 -15.2 4.7 -4.8 13 13 E I T 3< S+ 0 0 0 -4,-1.5 262,-2.5 1,-0.3 263,-0.3 0.601 110.3 43.2 -71.1 -16.0 -17.4 7.2 -6.4 14 14 E S T < S+ 0 0 10 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.3 0.160 107.3 73.2-116.0 17.7 -16.1 6.3 -9.9 15 15 E S < - 0 0 17 -3,-1.2 261,-0.1 -4,-0.2 242,-0.1 -0.887 67.4-144.7-126.4 158.3 -16.0 2.6 -9.5 16 16 E T S S+ 0 0 86 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.552 91.4 48.1 -93.6 -7.6 -18.8 -0.1 -9.3 17 17 E S S S- 0 0 50 240,-0.0 3,-0.4 -5,-0.0 -3,-0.1 -0.943 85.3-113.6-135.5 151.8 -16.7 -1.9 -6.8 18 18 E P S S+ 0 0 51 0, 0.0 168,-0.1 0, 0.0 -2,-0.1 -0.240 85.5 48.6 -75.2 166.0 -14.8 -1.0 -3.6 19 19 E G S S+ 0 0 81 166,-0.4 2,-0.1 1,-0.3 167,-0.1 0.572 73.1 126.4 85.2 10.8 -11.0 -1.2 -3.2 20 20 E T - 0 0 60 -3,-0.4 -1,-0.3 -12,-0.1 -8,-0.2 -0.451 44.7-155.0 -94.4 178.1 -9.8 0.7 -6.3 21 21 E S + 0 0 63 -2,-0.1 -15,-2.6 -10,-0.1 2,-0.4 0.461 61.6 86.4-130.3 -14.3 -7.4 3.6 -6.3 22 22 E T - 0 0 24 -17,-0.2 2,-0.7 -18,-0.2 -18,-0.2 -0.797 60.5-146.7 -96.5 142.3 -8.0 5.6 -9.4 23 23 E Y E -A 3 0A 0 -20,-3.1 -20,-2.4 -2,-0.4 2,-0.4 -0.898 17.3-162.8-106.1 102.2 -10.6 8.4 -9.6 24 24 E Y E +A 2 0A 112 -2,-0.7 2,-0.3 -22,-0.2 -22,-0.2 -0.735 23.9 146.4 -90.3 131.9 -12.0 8.5 -13.2 25 25 E Y - 0 0 35 -24,-1.9 2,-0.2 -2,-0.4 60,-0.0 -0.993 50.2 -89.3-158.3 161.9 -13.9 11.6 -14.2 26 26 E D > - 0 0 53 -2,-0.3 3,-1.5 1,-0.1 214,-0.0 -0.547 34.7-128.3 -74.0 141.9 -14.7 13.9 -17.1 27 27 E E T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.2 -25,-0.0 0.728 102.0 78.0 -64.1 -28.5 -12.2 16.8 -17.6 28 28 E S T > S- 0 0 24 1,-0.1 3,-2.3 2,-0.1 -1,-0.3 0.834 78.6-172.6 -46.9 -38.7 -15.0 19.3 -17.6 29 29 E A T < - 0 0 1 -3,-1.5 58,-2.8 1,-0.3 59,-0.3 0.706 61.2 -57.2 50.2 44.9 -14.9 18.8 -13.8 30 30 E G T > S+ 0 0 0 206,-0.4 3,-1.6 1,-0.2 59,-0.3 0.590 87.2 160.9 66.2 12.9 -17.9 20.8 -12.7 31 31 E Q T < + 0 0 105 -3,-2.3 -1,-0.2 1,-0.2 57,-0.2 -0.358 60.8 34.3 -63.9 143.4 -16.6 24.0 -14.3 32 32 E G T 3 S+ 0 0 32 55,-0.4 93,-2.6 1,-0.4 94,-0.6 0.254 104.2 98.8 94.2 -12.2 -19.3 26.6 -14.9 33 33 E S E < -b 126 0B 0 -3,-1.6 56,-2.0 92,-0.2 2,-0.4 -0.632 61.9-139.6-107.0 163.8 -21.1 25.4 -11.7 34 34 E a E -bc 127 89B 1 92,-2.1 94,-2.9 -2,-0.2 2,-0.5 -0.976 6.8-162.6-129.1 142.2 -21.1 26.8 -8.1 35 35 E V E -bc 128 90B 0 54,-2.8 56,-2.7 -2,-0.4 2,-0.5 -0.953 8.5-154.6-124.2 115.1 -21.1 25.2 -4.7 36 36 E Y E -bc 129 91B 0 92,-3.2 94,-2.8 -2,-0.5 2,-0.7 -0.738 9.2-154.6 -81.5 127.9 -22.1 27.0 -1.6 37 37 E V E -bc 130 92B 2 54,-3.1 56,-2.9 -2,-0.5 2,-1.0 -0.904 6.3-167.1-109.0 107.0 -20.4 25.7 1.5 38 38 E I E + c 0 93B 0 92,-2.0 94,-0.4 -2,-0.7 56,-0.2 -0.786 51.1 77.5 -99.3 96.9 -22.5 26.4 4.5 39 39 E D E S- c 0 94B 1 54,-2.0 57,-2.5 -2,-1.0 56,-1.9 -0.428 100.0 -28.5-157.5-130.2 -20.3 25.7 7.6 40 40 E T S S- 0 0 0 1,-0.4 26,-0.3 54,-0.2 27,-0.2 0.363 96.9 -94.5 -93.0 2.5 -17.4 27.3 9.5 41 41 E G - 0 0 0 52,-0.4 -1,-0.4 -4,-0.2 2,-0.4 -0.513 40.3 -88.6 105.5 176.9 -16.1 29.1 6.5 42 42 E I - 0 0 3 21,-0.4 2,-1.4 -2,-0.2 23,-0.3 -0.979 20.5-127.2-124.3 143.3 -13.4 28.3 4.0 43 43 E E > - 0 0 42 -2,-0.4 3,-1.2 1,-0.2 6,-0.1 -0.796 34.8-172.4 -86.2 92.1 -9.7 28.9 4.2 44 44 E A T 3 S+ 0 0 32 -2,-1.4 7,-0.4 1,-0.2 9,-0.3 0.803 71.6 60.3 -65.6 -25.1 -9.8 30.6 0.8 45 45 E S T 3 S+ 0 0 106 -3,-0.1 -1,-0.2 5,-0.1 5,-0.1 0.503 70.8 128.7 -83.2 -5.5 -6.0 31.0 0.3 46 46 E H X - 0 0 9 -3,-1.2 3,-2.7 1,-0.2 5,-0.5 -0.277 64.4-133.0 -53.6 122.2 -5.4 27.3 0.6 47 47 E P G > S+ 0 0 103 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.833 101.4 69.1 -49.3 -33.9 -3.3 26.4 -2.5 48 48 E E G 3 S+ 0 0 26 1,-0.3 32,-2.2 2,-0.1 34,-0.1 0.655 94.0 57.3 -58.7 -21.0 -5.6 23.4 -3.2 49 49 E F G X S- 0 0 0 -3,-2.7 3,-3.4 30,-0.2 -1,-0.3 0.568 92.0-149.2 -87.2 -11.4 -8.4 25.8 -4.1 50 50 E E T < - 0 0 101 -3,-2.0 -2,-0.1 -4,-0.4 -5,-0.1 0.763 69.1 -59.2 50.2 26.2 -6.3 27.4 -6.8 51 51 E G T 3 S+ 0 0 67 -5,-0.5 -1,-0.3 -7,-0.4 -6,-0.1 0.632 113.2 117.9 80.8 14.2 -8.1 30.6 -6.1 52 52 E R < + 0 0 23 -3,-3.4 38,-3.0 26,-0.1 2,-0.4 0.413 60.6 74.5 -93.9 2.2 -11.5 29.1 -7.0 53 53 E A E +d 90 0B 9 -9,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.898 54.5 170.0-113.6 149.5 -12.9 29.6 -3.5 54 54 E Q E -d 91 0B 82 36,-2.0 38,-3.1 -2,-0.4 2,-0.3 -0.984 33.4-118.6-158.3 145.4 -14.1 32.7 -1.7 55 55 E M E +d 92 0B 38 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.623 29.6 171.8 -77.8 138.8 -15.9 33.8 1.4 56 56 E V E + 0 0 33 36,-2.4 2,-0.3 -2,-0.3 37,-0.2 0.563 60.2 14.7-122.4 -21.5 -19.1 35.6 0.6 57 57 E K E -d 93 0B 78 35,-1.2 37,-2.5 6,-0.1 2,-0.4 -0.935 52.0-170.5-162.2 133.3 -20.8 36.0 4.1 58 58 E T E -d 94 0B 40 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.956 14.5-164.9-123.0 157.6 -20.1 35.8 7.8 59 59 E Y S S+ 0 0 64 35,-1.2 2,-0.2 -2,-0.4 -1,-0.1 0.175 76.6 55.3-116.5 9.5 -22.4 35.9 10.7 60 60 E Y S S- 0 0 63 2,-0.3 -2,-0.1 34,-0.1 34,-0.1 -0.689 103.9 -77.5-129.9-172.4 -19.6 36.5 13.1 61 61 E Y S S+ 0 0 241 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.658 109.7 33.0 -64.3 -22.2 -16.7 38.9 13.8 62 62 E S - 0 0 33 2,-0.1 -2,-0.3 1,-0.0 -3,-0.2 -0.981 63.7-139.5-135.2 158.9 -14.4 37.3 11.2 63 63 E S S S+ 0 0 57 -2,-0.3 -21,-0.4 -5,-0.1 2,-0.3 0.286 72.7 106.8 -95.3 8.3 -14.7 35.7 7.8 64 64 E R S S- 0 0 161 -23,-0.1 2,-0.9 -21,-0.1 -2,-0.1 -0.693 71.9-126.1 -98.7 144.0 -12.1 33.1 8.6 65 65 E D + 0 0 7 -2,-0.3 -24,-0.1 -23,-0.3 -2,-0.1 -0.724 33.0 167.0 -79.6 101.8 -12.5 29.4 9.4 66 66 E G S S+ 0 0 37 -2,-0.9 -1,-0.1 -26,-0.3 -25,-0.1 0.150 72.9 56.6-101.0 17.1 -10.8 28.9 12.7 67 67 E N S S- 0 0 44 -27,-0.2 146,-0.1 32,-0.0 -1,-0.1 0.765 88.0-139.0-109.4 -58.3 -12.4 25.5 13.0 68 68 E G S > S+ 0 0 0 -27,-0.1 4,-2.4 144,-0.1 5,-0.2 -0.066 74.0 102.5 120.5 -36.1 -11.5 23.4 10.0 69 69 E H H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.919 86.3 42.5 -47.5 -52.3 -14.9 21.8 9.4 70 70 E G H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.939 112.4 52.2 -65.6 -45.0 -15.8 24.0 6.4 71 71 E T H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 140,-0.4 0.890 110.1 51.1 -59.6 -33.9 -12.4 23.9 4.8 72 72 E H H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 139,-0.4 0.965 111.6 46.0 -67.7 -45.9 -12.5 20.2 5.0 73 73 E C H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.942 109.5 53.6 -64.5 -45.4 -15.9 20.0 3.4 74 74 E A H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.883 105.1 56.4 -54.1 -41.1 -15.0 22.5 0.6 75 75 E G H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.924 104.4 51.1 -58.3 -46.9 -12.0 20.4 -0.3 76 76 E T H < S+ 0 0 0 -4,-1.8 8,-2.6 1,-0.2 -1,-0.2 0.878 109.7 54.9 -61.3 -32.3 -14.1 17.3 -0.8 77 77 E V H < S- 0 0 0 -4,-1.8 8,-2.8 6,-0.3 -2,-0.2 0.979 136.0 -25.3 -65.6 -63.8 -16.3 19.4 -3.1 78 78 E G H < S+ 0 0 0 -4,-2.2 2,-0.2 6,-0.2 -2,-0.2 -0.034 82.9 136.3-152.0 46.0 -13.7 20.8 -5.6 79 79 E S X - 0 0 0 -4,-2.3 4,-1.3 -5,-0.1 -30,-0.2 -0.556 61.8-111.1 -86.4 159.4 -10.2 21.0 -4.4 80 80 E R T 4 S+ 0 0 149 -32,-2.2 -1,-0.1 -2,-0.2 6,-0.1 0.983 108.2 19.4 -52.6 -60.3 -7.4 19.9 -6.8 81 81 E T T 4 S+ 0 0 32 1,-0.2 -1,-0.2 -33,-0.1 5,-0.0 0.843 134.9 32.5 -82.5 -38.1 -6.3 16.8 -5.0 82 82 E Y T 4 S+ 0 0 39 -34,-0.1 2,-0.2 -7,-0.1 -1,-0.2 0.448 97.4 95.1-103.2 -3.5 -9.1 16.0 -2.7 83 83 E G < - 0 0 0 -4,-1.3 3,-0.3 1,-0.1 -6,-0.3 -0.624 60.1-142.4-107.2 155.0 -12.3 17.0 -4.5 84 84 E V S S+ 0 0 0 -8,-2.6 2,-0.8 -2,-0.2 -6,-0.2 0.906 100.4 37.2 -66.8 -52.5 -15.0 15.6 -6.7 85 85 E A S > S- 0 0 0 -8,-2.8 3,-1.4 -9,-0.2 -1,-0.2 -0.881 73.0-173.9-112.5 84.2 -15.5 18.6 -9.1 86 86 E K T 3 S+ 0 0 15 -2,-0.8 -56,-0.1 -3,-0.3 -1,-0.1 0.615 77.1 41.8 -65.2 -13.5 -12.0 19.9 -9.5 87 87 E K T 3 S+ 0 0 102 -58,-2.8 -55,-0.4 2,-0.1 -1,-0.3 0.182 86.2 118.5-122.7 19.9 -12.9 23.0 -11.5 88 88 E T < - 0 0 0 -3,-1.4 2,-0.4 -59,-0.3 -54,-0.2 -0.296 64.6-111.0 -78.1 169.1 -16.0 24.3 -9.7 89 89 E Q E -c 34 0B 72 -56,-2.0 -54,-2.8 -59,-0.3 2,-0.5 -0.776 29.7-153.6 -99.5 142.8 -16.4 27.5 -8.0 90 90 E L E -cd 35 53B 0 -38,-3.0 -36,-2.0 -2,-0.4 2,-0.5 -0.967 9.4-168.6-122.5 137.6 -16.8 27.6 -4.2 91 91 E F E -cd 36 54B 7 -56,-2.7 -54,-3.1 -2,-0.5 2,-0.5 -0.968 16.0-141.0-123.2 130.0 -18.5 30.1 -2.0 92 92 E G E -cd 37 55B 0 -38,-3.1 -36,-2.4 -2,-0.5 -35,-1.2 -0.736 15.1-174.9 -94.4 129.4 -18.0 30.1 1.7 93 93 E V E -cd 38 57B 0 -56,-2.9 -54,-2.0 -2,-0.5 2,-1.1 -0.976 13.4-153.2-119.6 112.7 -20.9 30.8 4.1 94 94 E K E +cd 39 58B 4 -37,-2.5 -35,-1.2 -2,-0.5 -54,-0.2 -0.690 38.3 143.4 -90.8 93.5 -19.9 31.0 7.7 95 95 E V + 0 0 0 -56,-1.9 2,-0.4 -2,-1.1 -55,-0.2 0.624 61.0 64.5-101.7 -16.1 -23.0 30.1 9.8 96 96 E L S S- 0 0 0 -57,-2.5 6,-0.2 -3,-0.2 -37,-0.1 -0.871 80.9-125.9-111.7 143.9 -21.1 28.3 12.4 97 97 E D > - 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