==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-AUG-12 4B5L . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR J.JAKONCIC . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 64.9 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 . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.5 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 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 34 0, 0.0 24,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 158.4 -9.4 12.0 -16.8 2 2 A A E -A 24 0A 59 22,-0.2 2,-0.7 2,-0.0 22,-0.2 -0.974 360.0-157.8-144.7 126.9 -8.0 9.8 -14.1 3 3 A Q E > -A 23 0A 34 20,-2.7 20,-2.5 -2,-0.4 3,-0.6 -0.919 21.2-148.7-102.8 115.6 -6.5 10.7 -10.8 4 4 A T T 3 S+ 0 0 98 -2,-0.7 18,-0.2 1,-0.2 -2,-0.0 -0.496 76.3 15.8 -84.2 156.3 -4.2 7.9 -9.5 5 5 A N T 3 S+ 0 0 140 -2,-0.1 -1,-0.2 1,-0.1 17,-0.2 0.896 90.4 171.6 48.6 45.3 -3.7 7.2 -5.8 6 6 A A < - 0 0 10 15,-2.6 -1,-0.1 -3,-0.6 76,-0.1 -0.401 45.8 -81.6 -76.5 158.1 -6.8 9.3 -5.1 7 7 A P >> - 0 0 25 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.343 49.9-111.7 -50.9 144.5 -8.5 9.4 -1.6 8 8 A W H 3> S+ 0 0 26 1,-0.2 4,-2.6 199,-0.2 5,-0.1 0.798 113.5 58.8 -56.5 -34.5 -10.6 6.3 -1.3 9 9 A G H 3> S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.890 106.1 47.7 -67.5 -38.3 -13.9 8.2 -1.4 10 10 A L H <> S+ 0 0 0 -3,-0.7 4,-0.6 1,-0.2 14,-0.2 0.942 113.6 47.7 -66.4 -45.5 -13.2 9.7 -4.8 11 11 A A H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.921 109.7 54.7 -55.7 -41.8 -12.2 6.3 -6.2 12 12 A R H >< S+ 0 0 5 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.857 102.3 54.9 -65.5 -38.2 -15.3 4.8 -4.7 13 13 A I H 3< S+ 0 0 0 -4,-1.7 262,-2.8 1,-0.3 -1,-0.3 0.563 110.8 46.7 -74.2 -7.0 -17.7 7.2 -6.4 14 14 A S T << S+ 0 0 7 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.3 0.179 106.2 70.4-115.7 18.2 -16.3 6.3 -9.8 15 15 A S < - 0 0 14 -3,-1.3 242,-0.1 -4,-0.1 261,-0.1 -0.957 65.5-145.3-133.1 150.1 -16.3 2.5 -9.4 16 16 A T S S+ 0 0 83 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.575 91.8 47.2 -86.8 -7.1 -18.9 -0.2 -9.2 17 17 A S S S- 0 0 55 240,-0.0 3,-0.5 -5,-0.0 -3,-0.1 -0.950 83.8-117.4-130.0 151.6 -16.6 -2.1 -6.7 18 18 A P S S+ 0 0 58 0, 0.0 3,-0.1 0, 0.0 168,-0.1 -0.324 85.9 54.0 -75.5 167.0 -14.8 -1.1 -3.5 19 19 A G S S+ 0 0 80 166,-0.3 2,-0.1 1,-0.3 167,-0.0 0.433 72.7 124.3 93.9 0.5 -11.0 -1.3 -3.1 20 20 A T - 0 0 52 -3,-0.5 -1,-0.3 -12,-0.1 -8,-0.1 -0.480 43.8-160.5 -89.1 165.5 -9.9 0.7 -6.2 21 21 A S + 0 0 60 -2,-0.1 -15,-2.6 -10,-0.1 2,-0.5 0.356 59.4 91.2-131.0 6.4 -7.6 3.7 -5.9 22 22 A T - 0 0 26 -17,-0.2 2,-0.7 -18,-0.2 -18,-0.2 -0.908 60.4-147.8-108.1 131.4 -8.1 5.6 -9.2 23 23 A Y E -A 3 0A 0 -20,-2.5 -20,-2.7 -2,-0.5 2,-0.5 -0.876 16.0-164.4 -95.2 113.1 -10.7 8.4 -9.5 24 24 A Y E +A 2 0A 105 -2,-0.7 2,-0.3 -22,-0.2 -22,-0.2 -0.866 22.4 150.6 -98.4 130.3 -12.1 8.4 -13.1 25 25 A Y - 0 0 36 -24,-1.8 2,-0.3 -2,-0.5 -11,-0.0 -0.990 49.4 -91.8-155.5 154.5 -14.0 11.6 -14.1 26 26 A D > - 0 0 47 -2,-0.3 3,-1.8 1,-0.1 4,-0.1 -0.545 36.4-126.2 -67.7 134.8 -14.9 13.8 -17.1 27 27 A E T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.3 -25,-0.0 0.657 102.6 79.1 -59.0 -20.1 -12.4 16.6 -17.6 28 28 A S T > S- 0 0 33 1,-0.1 3,-2.3 2,-0.1 -1,-0.3 0.874 75.6-176.2 -54.7 -39.2 -15.3 19.2 -17.5 29 29 A A T < - 0 0 1 -3,-1.8 58,-2.7 1,-0.3 59,-0.4 0.748 64.3 -53.5 56.2 34.5 -15.0 18.7 -13.8 30 30 A G T > S+ 0 0 0 206,-0.3 3,-2.0 1,-0.2 59,-0.3 0.613 84.9 163.8 79.6 7.6 -17.9 20.9 -12.7 31 31 A Q T < + 0 0 122 -3,-2.3 -1,-0.2 1,-0.3 57,-0.2 -0.390 66.7 26.9 -64.2 138.9 -16.7 24.0 -14.5 32 32 A G T 3 S+ 0 0 28 55,-0.5 93,-2.6 1,-0.4 94,-0.6 0.269 102.4 101.9 92.9 -13.4 -19.5 26.6 -14.8 33 33 A S E < -b 126 0B 2 -3,-2.0 56,-1.6 92,-0.2 -1,-0.4 -0.583 58.9-146.6 -97.4 164.9 -21.3 25.3 -11.7 34 34 A a E -bc 127 89B 2 92,-1.9 94,-2.4 -2,-0.2 2,-0.5 -0.999 6.8-163.9-134.2 137.4 -21.2 27.0 -8.2 35 35 A V E -bc 128 90B 0 54,-3.0 56,-2.3 -2,-0.4 2,-0.5 -0.978 8.1-152.7-125.1 123.9 -21.3 25.3 -4.8 36 36 A Y E -bc 129 91B 0 92,-2.9 94,-2.9 -2,-0.5 2,-0.7 -0.798 7.4-157.7 -88.5 126.3 -22.1 27.3 -1.6 37 37 A V E -bc 130 92B 2 54,-2.8 56,-2.4 -2,-0.5 2,-0.8 -0.940 5.7-164.4-105.5 111.1 -20.5 25.6 1.5 38 38 A I E + c 0 93B 0 92,-2.0 94,-0.5 -2,-0.7 56,-0.2 -0.873 49.7 87.0-101.7 105.5 -22.5 26.8 4.5 39 39 A D E S- c 0 94B 1 54,-2.4 57,-2.0 -2,-0.8 56,-1.7 -0.593 96.2 -33.0-169.0-146.2 -20.3 26.0 7.5 40 40 A T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.2 0.360 98.2 -94.7 -84.4 3.7 -17.4 27.5 9.6 41 41 A G - 0 0 1 52,-0.4 -1,-0.4 24,-0.1 2,-0.4 -0.580 38.3 -91.4 108.8-177.9 -16.0 29.2 6.5 42 42 A I - 0 0 4 21,-0.5 2,-1.8 -2,-0.2 3,-0.1 -0.994 19.3-128.3-139.9 131.2 -13.3 28.4 4.0 43 43 A E > - 0 0 42 -2,-0.4 3,-2.1 1,-0.2 6,-0.2 -0.610 33.0-174.6 -74.1 89.5 -9.6 29.1 4.0 44 44 A A T 3 S+ 0 0 35 -2,-1.8 7,-0.4 1,-0.3 9,-0.4 0.737 73.1 63.8 -67.7 -21.3 -9.9 30.6 0.5 45 45 A S T 3 + 0 0 103 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.536 70.0 122.4 -80.8 -6.7 -6.1 31.1 0.3 46 46 A H X> - 0 0 10 -3,-2.1 3,-2.3 1,-0.2 4,-0.5 -0.373 68.2-131.3 -56.1 128.4 -5.3 27.4 0.5 47 47 A P G >4 S+ 0 0 102 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.789 102.1 70.8 -53.2 -28.5 -3.3 26.4 -2.7 48 48 A E G 34 S+ 0 0 19 1,-0.3 32,-2.6 2,-0.1 34,-0.1 0.674 93.2 55.6 -63.7 -17.9 -5.6 23.5 -3.2 49 49 A F G X4 S- 0 0 0 -3,-2.3 3,-2.3 30,-0.2 -1,-0.3 0.627 92.0-148.9 -90.5 -16.8 -8.5 25.8 -4.2 50 50 A E T << - 0 0 106 -3,-1.2 -2,-0.1 -4,-0.5 -5,-0.1 0.793 68.0 -56.6 58.9 31.9 -6.4 27.5 -7.0 51 51 A G T 3 S+ 0 0 68 -7,-0.4 -1,-0.3 -5,-0.4 -6,-0.1 0.538 115.1 114.1 76.2 6.1 -8.2 30.8 -6.4 52 52 A R < + 0 0 35 -3,-2.3 38,-3.0 26,-0.1 2,-0.4 0.357 59.9 76.4 -90.3 2.7 -11.7 29.2 -7.1 53 53 A A E +d 90 0B 9 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.927 52.9 168.0-114.4 142.6 -12.9 29.8 -3.5 54 54 A Q E -d 91 0B 88 36,-2.0 38,-2.5 -2,-0.4 2,-0.4 -0.985 33.9-122.5-148.7 147.5 -14.2 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 -0.692 29.2 172.6 -80.2 132.2 -16.0 33.9 1.3 56 56 A V E + 0 0 30 36,-2.7 2,-0.3 -2,-0.4 37,-0.2 0.569 61.3 14.1-117.3 -16.2 -19.2 35.8 0.4 57 57 A K E -d 93 0B 78 35,-1.3 37,-2.6 6,-0.1 2,-0.3 -0.958 53.3-173.3-161.2 137.1 -20.9 36.2 3.8 58 58 A T E -d 94 0B 39 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.985 16.1-163.3-128.7 150.3 -20.2 35.9 7.6 59 59 A Y S S+ 0 0 68 35,-1.8 2,-0.2 -2,-0.3 36,-0.1 0.189 77.3 60.9-107.4 9.3 -22.4 36.1 10.6 60 60 A Y S S- 0 0 63 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.639 103.0 -84.0-126.1-175.2 -19.5 36.6 13.0 61 61 A Y S S+ 0 0 239 -2,-0.2 2,-0.3 2,-0.0 -3,-0.0 0.810 111.4 30.5 -63.3 -31.7 -16.6 39.0 13.6 62 62 A S - 0 0 53 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.863 62.0-145.4-125.8 158.0 -14.5 37.4 11.0 63 63 A S + 0 0 49 -2,-0.3 -21,-0.5 -5,-0.1 2,-0.1 0.397 67.7 114.3 -98.5 4.0 -15.0 35.5 7.8 64 64 A R S S- 0 0 199 -23,-0.1 2,-1.0 1,-0.1 -2,-0.1 -0.402 72.8-122.1 -75.5 144.7 -12.0 33.3 8.5 65 65 A D + 0 0 10 1,-0.1 -24,-0.1 -23,-0.1 -1,-0.1 -0.782 36.8 169.1 -81.1 105.3 -12.4 29.5 9.1 66 66 A G S S+ 0 0 41 -2,-1.0 -1,-0.1 -26,-0.4 -25,-0.1 0.290 72.8 49.5 -96.0 6.5 -10.8 29.2 12.6 67 67 A N S S- 0 0 46 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.793 90.1-135.7-109.7 -53.8 -12.0 25.6 13.0 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.4 -28,-0.1 5,-0.2 0.006 76.1 101.2 117.9 -30.9 -11.2 23.6 9.9 69 69 A H H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 84.5 46.0 -58.2 -47.6 -14.5 21.8 9.3 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.890 112.2 51.1 -66.9 -37.6 -15.7 24.1 6.5 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 140,-0.3 0.897 110.2 50.7 -64.6 -37.0 -12.4 24.0 4.7 72 72 A H H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 139,-0.4 0.955 112.6 44.7 -64.6 -48.4 -12.4 20.2 4.9 73 73 A C H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.3 0.918 112.8 51.7 -63.5 -43.7 -15.9 20.0 3.4 74 74 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.881 106.7 55.4 -59.2 -40.1 -15.1 22.6 0.7 75 75 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.869 105.8 50.3 -62.1 -38.4 -12.0 20.6 -0.2 76 76 A T H < S+ 0 0 1 -4,-1.5 8,-2.1 -3,-0.3 -1,-0.2 0.842 112.9 48.1 -70.6 -33.1 -14.1 17.4 -0.8 77 77 A V H < S- 0 0 0 -4,-1.8 8,-2.9 6,-0.2 7,-0.2 0.966 137.8 -12.3 -64.5 -50.2 -16.5 19.4 -3.0 78 78 A G H < S+ 0 0 0 -4,-2.6 -3,-0.2 5,-0.2 -2,-0.2 0.268 82.5 128.7-153.1 16.2 -13.8 21.2 -5.2 79 79 A S X - 0 0 0 -4,-2.1 4,-1.4 -5,-0.3 -30,-0.2 -0.446 62.2-116.3 -75.9 158.3 -10.1 21.1 -4.2 80 80 A R T 4 S+ 0 0 122 -32,-2.6 -1,-0.1 1,-0.2 6,-0.1 0.943 108.6 22.9 -58.3 -50.9 -7.7 20.0 -6.9 81 81 A T T 4 S+ 0 0 32 1,-0.1 -1,-0.2 -33,-0.1 5,-0.0 0.842 134.9 31.8 -87.8 -34.7 -6.4 16.9 -5.1 82 82 A Y T 4 S+ 0 0 38 -7,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.436 97.4 102.6-108.9 5.0 -9.3 16.1 -2.7 83 83 A G < - 0 0 0 -4,-1.4 3,-0.3 1,-0.1 -6,-0.2 -0.533 56.9-150.9-104.8 151.9 -12.3 17.2 -4.6 84 84 A V S S+ 0 0 0 -8,-2.1 2,-0.8 1,-0.3 -6,-0.2 0.899 100.3 37.3 -75.3 -46.6 -15.1 15.6 -6.7 85 85 A A S > S- 0 0 0 -8,-2.9 3,-1.5 -9,-0.2 -1,-0.3 -0.817 74.3-175.0-114.3 89.6 -15.7 18.6 -8.9 86 86 A K T 3 S+ 0 0 15 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.509 77.8 40.6 -76.2 -5.8 -12.2 20.0 -9.5 87 87 A K T 3 S+ 0 0 98 -58,-2.7 -55,-0.5 2,-0.1 -1,-0.3 0.266 84.9 120.6-121.8 14.5 -13.2 23.1 -11.5 88 88 A T < - 0 0 0 -3,-1.5 2,-0.5 -59,-0.4 -54,-0.2 -0.192 65.5-115.2 -73.3 163.1 -16.3 24.3 -9.7 89 89 A Q E -c 34 0B 53 -56,-1.6 -54,-3.0 -59,-0.3 2,-0.4 -0.896 30.2-152.0 -99.3 130.7 -16.5 27.7 -8.1 90 90 A L E -cd 35 53B 0 -38,-3.0 -36,-2.0 -2,-0.5 2,-0.4 -0.908 10.5-169.7-109.3 133.6 -16.8 27.6 -4.2 91 91 A F E -cd 36 54B 7 -56,-2.3 -54,-2.8 -2,-0.4 2,-0.4 -0.985 13.2-146.0-122.1 128.6 -18.6 30.2 -2.1 92 92 A G E -cd 37 55B 0 -38,-2.5 -36,-2.7 -2,-0.4 -35,-1.3 -0.796 14.0-175.3 -99.0 134.6 -18.3 30.2 1.6 93 93 A V E -cd 38 57B 0 -56,-2.4 -54,-2.4 -2,-0.4 2,-1.0 -0.983 17.4-148.4-124.6 117.2 -21.0 31.3 4.0 94 94 A K E +cd 39 58B 3 -37,-2.6 -35,-1.8 -2,-0.5 -54,-0.2 -0.730 40.6 144.3 -93.2 98.1 -19.9 31.3 7.7 95 95 A V + 0 0 0 -56,-1.7 2,-0.4 -2,-1.0 -55,-0.2 0.467 59.3 69.6-105.3 -9.1 -23.0 30.4 9.8 96 96 A L S S- 0 0 11 -57,-2.0 6,-0.2 -3,-0.2 -37,-0.1 -0.916 79.5-127.8-109.5 145.3 -21.0 28.4 12.4 97 97 A D > - 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