==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAR-09 3GT3 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR T.BECK,T.GRUENE,G.M.SHELDRICK . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 14.7 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 . 32 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 21.1 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 0 1 0 1 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 1 3 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 50 0, 0.0 24,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.8 12.7 9.5 7.8 2 2 A A E -A 24 0A 64 22,-0.2 2,-0.6 277,-0.0 22,-0.2 -0.997 360.0-163.3-133.2 127.8 10.4 7.7 10.3 3 3 A Q E > -A 23 0A 27 20,-2.8 20,-2.3 -2,-0.4 3,-0.5 -0.947 19.4-149.2-108.7 108.4 11.4 6.2 13.7 4 4 A T T 3 S+ 0 0 97 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.380 75.4 17.3 -77.9 156.5 8.8 3.8 14.9 5 5 A N T 3 S+ 0 0 137 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.908 88.9 169.2 48.9 49.1 8.1 3.2 18.6 6 6 A A < - 0 0 10 15,-2.7 -1,-0.1 -3,-0.5 76,-0.1 -0.439 45.9 -82.8 -82.7 158.3 9.9 6.5 19.5 7 7 A P >> - 0 0 17 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.357 47.7-112.2 -55.4 146.5 9.8 8.1 22.9 8 8 A W H 3> S+ 0 0 27 1,-0.3 4,-2.4 199,-0.2 12,-0.2 0.812 114.0 57.1 -56.2 -37.8 6.6 10.1 23.1 9 9 A G H 3> S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.865 105.6 48.8 -65.3 -36.8 8.5 13.5 23.1 10 10 A L H <> S+ 0 0 1 -3,-0.7 4,-0.9 2,-0.2 14,-0.3 0.952 113.4 47.7 -65.0 -45.9 10.2 12.8 19.8 11 11 A A H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.917 110.9 53.0 -58.9 -36.0 6.9 11.8 18.3 12 12 A R H >< S+ 0 0 6 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.894 101.6 58.7 -67.2 -42.1 5.4 15.0 19.8 13 13 A I H 3< S+ 0 0 0 -4,-2.0 262,-3.1 1,-0.3 263,-0.3 0.689 112.5 40.0 -56.7 -28.9 8.0 17.2 18.3 14 14 A S T << S+ 0 0 8 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 0.195 105.7 86.2-110.4 18.7 7.0 16.1 14.8 15 15 A S < - 0 0 17 -3,-1.8 242,-0.1 -5,-0.1 261,-0.1 -0.938 60.1-152.9-125.3 146.6 3.3 16.0 15.3 16 16 A T S S+ 0 0 90 -2,-0.4 -1,-0.1 2,-0.1 -4,-0.1 0.450 92.2 42.9 -80.9 -4.0 0.3 18.3 15.1 17 17 A S S S- 0 0 62 -5,-0.1 3,-0.3 240,-0.0 -3,-0.1 -0.989 80.8-121.4-140.9 145.9 -1.4 16.1 17.7 18 18 A P S S+ 0 0 56 0, 0.0 168,-0.1 0, 0.0 3,-0.1 -0.337 83.9 57.3 -73.9 166.3 -0.5 14.3 20.9 19 19 A G S S+ 0 0 79 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.644 73.9 113.3 89.3 18.2 -0.9 10.5 21.2 20 20 A T - 0 0 68 -3,-0.3 -1,-0.3 -12,-0.2 -8,-0.1 -0.768 47.8-157.3-114.0 170.3 1.3 9.2 18.4 21 21 A S + 0 0 59 -2,-0.3 -15,-2.7 -10,-0.1 2,-0.4 0.182 59.0 93.3-136.6 14.0 4.5 7.2 18.7 22 22 A T - 0 0 27 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.969 60.4-144.6-112.1 130.7 6.4 7.7 15.4 23 23 A Y E -A 3 0A 0 -20,-2.3 -20,-2.8 -2,-0.4 2,-0.4 -0.857 14.6-163.9 -95.7 126.7 9.1 10.4 15.0 24 24 A Y E +A 2 0A 101 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.953 21.8 146.5-113.6 130.4 9.3 12.0 11.6 25 25 A Y - 0 0 35 -24,-2.0 2,-0.2 -2,-0.4 -11,-0.0 -0.995 51.5 -87.2-158.2 153.3 12.3 14.0 10.5 26 26 A D > - 0 0 49 -2,-0.3 3,-2.1 1,-0.1 4,-0.1 -0.459 39.9-125.0 -63.5 134.5 14.5 15.0 7.6 27 27 A E T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.676 103.0 79.7 -59.3 -20.1 17.4 12.5 7.2 28 28 A S T > S- 0 0 35 1,-0.1 3,-2.4 2,-0.1 -1,-0.3 0.872 75.1-175.7 -57.7 -36.5 20.0 15.3 7.4 29 29 A A T < - 0 0 3 -3,-2.1 58,-3.0 1,-0.3 59,-0.4 0.728 65.6 -52.5 54.4 35.0 19.3 14.9 11.2 30 30 A G T > S+ 0 0 0 206,-0.3 3,-2.0 1,-0.2 59,-0.3 0.608 84.7 166.6 78.3 11.1 21.5 17.8 12.3 31 31 A Q T < + 0 0 71 -3,-2.4 -1,-0.2 1,-0.3 57,-0.2 -0.363 67.6 24.6 -56.5 135.6 24.6 16.6 10.4 32 32 A G T 3 S+ 0 0 24 55,-0.5 93,-2.6 1,-0.4 94,-0.6 0.349 104.2 102.4 90.0 -7.9 27.2 19.3 10.4 33 33 A S E < -b 126 0B 1 -3,-2.0 56,-1.6 92,-0.2 -1,-0.4 -0.572 58.5-144.2-100.1 170.8 25.9 21.0 13.5 34 34 A a E -bc 127 89B 0 92,-1.8 94,-2.3 -2,-0.2 2,-0.4 -0.999 7.5-164.9-139.0 135.9 27.2 20.9 17.1 35 35 A V E -bc 128 90B 0 54,-2.9 56,-2.5 -2,-0.4 2,-0.5 -0.992 8.7-153.0-124.5 122.4 25.5 20.9 20.4 36 36 A Y E -bc 129 91B 0 92,-2.9 94,-3.2 -2,-0.4 2,-0.7 -0.800 5.4-157.1 -86.5 131.0 27.3 21.6 23.7 37 37 A V E -bc 130 92B 1 54,-2.6 56,-2.2 -2,-0.5 2,-0.8 -0.939 5.8-164.6-109.1 108.3 25.7 20.0 26.7 38 38 A I E + c 0 93B 0 92,-2.3 94,-0.5 -2,-0.7 2,-0.2 -0.858 50.9 85.8-101.3 104.2 26.8 22.0 29.7 39 39 A D E S- c 0 94B 0 54,-2.2 57,-2.0 -2,-0.8 56,-1.5 -0.625 96.4 -33.2-170.0-149.3 25.9 19.7 32.6 40 40 A T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 2,-0.2 0.357 98.1 -92.6 -83.6 2.6 27.3 16.8 34.7 41 41 A G - 0 0 0 52,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.640 38.1 -93.0 114.2-175.9 29.2 15.4 31.6 42 42 A I - 0 0 3 21,-0.6 2,-1.6 -2,-0.2 3,-0.1 -0.974 17.0-132.7-142.8 127.7 28.4 12.8 29.0 43 43 A E > - 0 0 41 -2,-0.3 3,-2.0 1,-0.2 6,-0.2 -0.670 31.5-178.1 -78.5 86.9 29.1 9.1 28.9 44 44 A A T 3 S+ 0 0 31 -2,-1.6 7,-0.5 1,-0.3 9,-0.4 0.802 71.1 66.1 -65.4 -26.8 30.5 9.3 25.4 45 45 A S T 3 S+ 0 0 103 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.546 70.5 121.0 -71.7 -7.8 31.2 5.5 25.2 46 46 A H S X> S- 0 0 9 -3,-2.0 3,-2.4 1,-0.2 4,-0.5 -0.357 70.9-130.6 -56.9 130.5 27.4 4.8 25.4 47 47 A P G >4 S+ 0 0 77 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.842 103.3 70.5 -52.6 -29.4 26.6 2.9 22.2 48 48 A E G 34 S+ 0 0 13 1,-0.2 32,-2.4 2,-0.1 33,-0.1 0.729 93.6 55.1 -62.3 -21.1 23.7 5.3 21.6 49 49 A F G X4 S- 0 0 0 -3,-2.4 3,-2.7 30,-0.2 -1,-0.2 0.608 89.3-151.8 -90.8 -13.4 26.1 8.1 20.8 50 50 A E T << - 0 0 108 -3,-1.2 -2,-0.1 -4,-0.5 -5,-0.1 0.695 66.6 -55.7 60.1 26.3 27.8 6.2 18.0 51 51 A G T 3 S+ 0 0 63 -7,-0.5 -1,-0.3 -5,-0.3 -6,-0.1 0.444 117.5 108.0 84.8 0.6 31.2 8.0 18.4 52 52 A R < + 0 0 24 -3,-2.7 38,-2.5 -8,-0.1 2,-0.3 0.451 61.8 77.7 -90.8 -2.8 29.5 11.4 17.9 53 53 A A E +d 90 0B 9 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.809 53.0 166.3-107.7 147.6 29.9 12.5 21.6 54 54 A Q E -d 91 0B 58 36,-1.5 38,-2.9 -2,-0.3 2,-0.4 -0.965 35.2-122.3-152.7 144.7 33.0 13.7 23.3 55 55 A M E +d 92 0B 42 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.770 29.9 171.8 -81.7 134.0 33.9 15.5 26.5 56 56 A V E + 0 0 30 36,-2.9 2,-0.3 -2,-0.4 37,-0.2 0.560 60.6 14.9-118.4 -15.9 35.8 18.8 25.8 57 57 A K E +d 93 0B 75 35,-1.4 37,-2.8 6,-0.1 -1,-0.4 -0.964 52.6 178.0-159.6 141.2 36.0 20.4 29.3 58 58 A T E -d 94 0B 38 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.976 19.9-162.2-138.2 152.5 35.7 19.6 33.0 59 59 A Y S S+ 0 0 72 35,-1.6 2,-0.2 -2,-0.3 36,-0.1 0.203 77.4 65.1-107.9 8.5 36.1 21.7 36.1 60 60 A Y S S- 0 0 63 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.592 103.4 -83.2-124.1-177.0 36.4 18.6 38.3 61 61 A Y S S+ 0 0 204 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.717 112.2 27.0 -68.2 -18.5 38.7 15.6 38.8 62 62 A S - 0 0 44 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.971 59.4-146.7-135.6 155.2 37.1 13.7 36.0 63 63 A S S S+ 0 0 49 -2,-0.3 -21,-0.6 -5,-0.1 -6,-0.1 0.397 70.4 112.5 -91.6 -1.1 35.2 14.6 32.8 64 64 A R S S- 0 0 51 -23,-0.1 2,-1.0 1,-0.1 -2,-0.1 -0.390 76.4-117.9 -68.5 146.4 33.1 11.4 33.3 65 65 A D + 0 0 8 1,-0.1 -24,-0.2 -23,-0.1 -1,-0.1 -0.753 37.1 170.7 -77.9 99.2 29.4 11.7 34.0 66 66 A G S S+ 0 0 41 -2,-1.0 -1,-0.1 -26,-0.4 -25,-0.1 0.251 74.4 48.7 -93.2 14.2 29.1 10.1 37.5 67 67 A N S S- 0 0 45 -27,-0.2 -1,-0.1 30,-0.0 146,-0.1 0.780 89.8-135.1-112.5 -54.5 25.5 11.3 37.8 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.6 -28,-0.1 5,-0.2 -0.106 77.6 100.3 116.0 -32.2 23.5 10.5 34.7 69 69 A H H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.931 85.3 44.5 -56.5 -50.1 21.7 13.8 34.2 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.910 112.5 52.1 -60.3 -40.7 24.1 15.1 31.5 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 140,-0.4 0.908 109.6 50.4 -62.7 -40.2 24.1 11.8 29.7 72 72 A H H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 139,-0.3 0.942 112.4 45.4 -62.6 -49.2 20.3 11.8 29.7 73 73 A C H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.934 112.9 50.7 -60.1 -46.4 20.1 15.4 28.3 74 74 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.887 106.6 56.5 -59.7 -37.1 22.7 14.6 25.7 75 75 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.881 106.1 49.4 -60.3 -40.1 20.7 11.5 24.7 76 76 A T H < S+ 0 0 0 -4,-1.8 8,-2.5 -3,-0.2 9,-0.2 0.857 113.0 48.2 -71.0 -34.1 17.6 13.7 24.0 77 77 A V H < S- 0 0 0 -4,-2.0 8,-3.0 6,-0.2 -2,-0.2 0.964 137.4 -11.6 -61.0 -53.7 19.7 16.1 21.9 78 78 A G H < S+ 0 0 0 -4,-2.5 -3,-0.2 5,-0.2 -2,-0.2 0.326 82.1 130.3-146.7 9.2 21.4 13.6 19.8 79 79 A S X - 0 0 0 -4,-2.1 4,-1.7 -5,-0.3 -30,-0.2 -0.387 62.3-116.3 -70.4 156.6 21.3 9.8 20.6 80 80 A R T 4 S+ 0 0 109 -32,-2.4 -1,-0.1 1,-0.2 6,-0.1 0.893 109.3 20.2 -59.8 -42.3 20.4 7.4 17.9 81 81 A T T 4 S+ 0 0 47 -33,-0.1 -1,-0.2 1,-0.1 5,-0.0 0.831 135.2 33.1 -95.1 -41.2 17.2 6.2 19.5 82 82 A Y T 4 S+ 0 0 35 -76,-0.1 2,-0.3 -34,-0.1 -2,-0.2 0.461 98.8 97.5-103.1 -0.6 16.3 8.9 22.1 83 83 A G < - 0 0 0 -4,-1.7 3,-0.3 1,-0.1 -6,-0.2 -0.591 58.8-148.5-106.5 153.6 17.6 12.1 20.3 84 84 A V S S+ 0 0 0 -8,-2.5 2,-0.7 1,-0.3 -6,-0.2 0.904 99.7 38.5 -72.5 -42.7 16.1 14.8 18.2 85 85 A A S > S- 0 0 0 -8,-3.0 3,-1.6 -9,-0.2 -1,-0.3 -0.822 72.6-177.3-118.0 85.5 19.1 15.5 16.0 86 86 A K T 3 S+ 0 0 14 -2,-0.7 -56,-0.2 -3,-0.3 -1,-0.1 0.452 77.3 41.8 -76.3 -3.4 20.5 12.0 15.5 87 87 A K T 3 S+ 0 0 50 -58,-3.0 -55,-0.5 2,-0.1 -1,-0.3 0.218 85.4 118.5-124.3 13.7 23.6 13.0 13.5 88 88 A T < - 0 0 0 -3,-1.6 2,-0.5 -59,-0.4 -54,-0.2 -0.284 67.6-113.7 -70.3 162.5 24.7 16.1 15.4 89 89 A Q E -c 34 0B 68 -56,-1.6 -54,-2.9 -59,-0.3 2,-0.5 -0.868 30.6-150.1 -94.3 130.0 28.1 16.3 17.2 90 90 A L E -cd 35 53B 0 -38,-2.5 -36,-1.5 -2,-0.5 2,-0.5 -0.903 11.0-169.3-108.5 126.9 27.8 16.4 20.9 91 91 A F E -cd 36 54B 12 -56,-2.5 -54,-2.6 -2,-0.5 2,-0.4 -0.983 12.1-146.5-119.3 123.1 30.3 18.2 23.1 92 92 A G E -cd 37 55B 0 -38,-2.9 -36,-2.9 -2,-0.5 -35,-1.4 -0.707 14.1-176.3 -93.5 135.6 30.3 17.8 26.9 93 93 A V E -cd 38 57B 0 -56,-2.2 -54,-2.2 -2,-0.4 2,-1.3 -0.959 18.0-148.9-125.6 107.9 31.2 20.6 29.3 94 94 A K E +cd 39 58B 2 -37,-2.8 -35,-1.6 -2,-0.5 -54,-0.2 -0.665 40.5 144.7 -90.0 93.4 31.1 19.3 32.9 95 95 A V + 0 0 0 -56,-1.5 2,-0.4 -2,-1.3 -55,-0.2 0.517 60.0 69.5 -97.2 -9.8 30.2 22.3 35.1 96 96 A L S S- 0 0 10 -57,-2.0 6,-0.2 -3,-0.2 -57,-0.1 -0.904 80.8-127.3-111.7 138.3 28.1 20.2 37.5 97 97 A D > - 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