==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUN-08 3DE0 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR E.PECHKOVA,S.K.TRIPATHI,C.NICOLINI . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 15.1 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 . 33 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 21.5 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 2 2 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 X A 0 0 25 0, 0.0 24,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.4 -9.4 12.6 -17.6 2 2 X A E -A 24 0A 64 22,-0.2 2,-0.6 277,-0.0 22,-0.2 -0.995 360.0-166.2-136.2 126.3 -7.6 10.3 -15.1 3 3 X Q E > -A 23 0A 31 20,-2.8 20,-2.3 -2,-0.4 3,-0.6 -0.912 20.2-147.5-114.3 110.1 -6.0 11.3 -11.8 4 4 X T T 3 S+ 0 0 97 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.305 75.5 15.9 -76.7 157.4 -3.8 8.5 -10.5 5 5 X N T 3 S+ 0 0 138 1,-0.1 -1,-0.2 3,-0.0 17,-0.2 0.874 87.5 168.6 47.4 45.8 -3.3 7.8 -6.8 6 6 X A < - 0 0 10 15,-2.6 -1,-0.1 -3,-0.6 76,-0.1 -0.412 48.8 -79.0 -77.8 161.1 -6.4 9.9 -6.0 7 7 X P >> - 0 0 19 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.359 50.1-112.4 -53.1 143.9 -8.0 9.9 -2.5 8 8 X W H 3> S+ 0 0 21 1,-0.3 4,-2.5 199,-0.2 12,-0.2 0.800 113.9 60.6 -57.4 -34.9 -10.0 6.6 -2.3 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.859 105.2 46.8 -58.2 -43.4 -13.4 8.6 -2.3 10 10 X L H <> S+ 0 0 1 -3,-0.9 4,-0.9 2,-0.2 14,-0.3 0.933 113.0 48.9 -67.3 -47.9 -12.7 10.2 -5.6 11 11 X A H >< S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.923 111.3 51.8 -56.2 -42.6 -11.7 6.9 -7.1 12 12 X R H >< S+ 0 0 4 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.903 102.3 58.1 -63.7 -41.3 -14.9 5.3 -5.7 13 13 X I H 3< S+ 0 0 0 -4,-2.0 262,-3.0 1,-0.3 263,-0.3 0.689 112.0 41.8 -64.3 -19.9 -17.2 7.9 -7.1 14 14 X S T << S+ 0 0 8 -4,-0.9 2,-0.4 -3,-0.8 -1,-0.3 0.169 105.7 85.1-112.2 21.4 -16.0 7.0 -10.6 15 15 X S < - 0 0 14 -3,-1.8 242,-0.1 1,-0.1 261,-0.1 -0.934 61.8-151.0-128.1 147.5 -15.9 3.3 -10.2 16 16 X T S S+ 0 0 96 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.471 91.5 39.5 -80.1 -8.4 -18.3 0.3 -10.4 17 17 X S S S- 0 0 53 -5,-0.1 3,-0.4 240,-0.0 -3,-0.1 -0.996 82.0-115.9-145.3 148.4 -16.2 -1.5 -7.8 18 18 X P S S+ 0 0 59 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.302 85.9 55.4 -70.2 166.7 -14.3 -0.7 -4.5 19 19 X G S S+ 0 0 79 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.607 73.8 115.0 91.1 17.3 -10.6 -1.0 -4.3 20 20 X T - 0 0 58 -3,-0.4 -1,-0.3 -12,-0.2 -8,-0.1 -0.755 46.6-158.0-113.8 163.0 -9.3 1.2 -7.1 21 21 X S + 0 0 58 -2,-0.3 -15,-2.6 -10,-0.1 2,-0.5 0.355 58.7 93.5-126.5 6.0 -7.2 4.3 -6.8 22 22 X T - 0 0 24 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.889 60.8-144.2-105.4 133.3 -7.6 6.3 -10.0 23 23 X Y E -A 3 0A 0 -20,-2.3 -20,-2.8 -2,-0.5 2,-0.4 -0.842 14.8-164.4 -95.2 124.1 -10.3 9.0 -10.3 24 24 X Y E +A 2 0A 92 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.913 21.3 149.0-111.8 130.9 -11.9 9.3 -13.8 25 25 X Y - 0 0 33 -24,-1.7 2,-0.1 -2,-0.4 -11,-0.0 -0.991 51.5 -91.7-156.7 151.3 -13.9 12.4 -14.8 26 26 X D > - 0 0 49 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.462 39.9-124.6 -64.9 137.5 -14.9 14.5 -17.8 27 27 X E T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.664 103.4 81.3 -64.8 -17.5 -12.3 17.3 -18.2 28 28 X S T > S- 0 0 36 1,-0.1 3,-2.2 2,-0.1 -1,-0.3 0.872 75.9-174.8 -53.2 -36.5 -15.1 19.9 -18.1 29 29 X A T < - 0 0 0 -3,-2.0 58,-2.8 1,-0.3 59,-0.5 0.734 64.5 -52.4 52.4 35.8 -14.8 19.3 -14.3 30 30 X G T > S+ 0 0 0 206,-0.4 3,-1.8 1,-0.2 59,-0.3 0.701 85.5 167.8 76.9 16.0 -17.7 21.4 -13.1 31 31 X Q T < + 0 0 119 -3,-2.2 -1,-0.2 1,-0.2 57,-0.2 -0.444 66.0 23.9 -62.9 136.7 -16.5 24.5 -15.0 32 32 X G T 3 S+ 0 0 26 55,-0.5 93,-2.7 1,-0.4 94,-0.6 0.426 104.8 104.4 87.8 -0.4 -19.2 27.2 -15.1 33 33 X S E < -b 126 0B 0 -3,-1.8 56,-1.9 92,-0.2 -1,-0.4 -0.612 57.6-145.6-104.2 168.9 -20.8 25.8 -12.0 34 34 X a E -bc 127 89B 0 92,-1.8 94,-2.2 -2,-0.2 2,-0.4 -0.999 6.6-164.0-134.6 144.3 -20.8 27.1 -8.4 35 35 X V E -bc 128 90B 0 54,-3.2 56,-2.5 -2,-0.4 2,-0.5 -0.984 7.8-154.0-129.4 123.6 -20.8 25.4 -5.1 36 36 X Y E -bc 129 91B 0 92,-3.1 94,-3.3 -2,-0.4 2,-0.6 -0.816 6.2-158.5 -89.9 131.4 -21.6 27.1 -1.8 37 37 X V E -bc 130 92B 1 54,-2.6 56,-2.4 -2,-0.5 2,-0.8 -0.958 4.9-162.8-112.6 111.8 -20.0 25.5 1.2 38 38 X I E +bc 131 93B 0 92,-2.3 94,-0.5 -2,-0.6 56,-0.2 -0.869 51.3 84.3-103.3 105.7 -22.0 26.6 4.3 39 39 X D E S- c 0 94B 0 54,-2.0 57,-2.1 -2,-0.8 56,-1.2 -0.581 97.2 -30.8-170.2-148.4 -19.7 25.8 7.2 40 40 X T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.3 0.355 98.4 -97.7 -82.6 2.2 -16.8 27.2 9.2 41 41 X G - 0 0 0 52,-0.3 2,-0.4 24,-0.2 -1,-0.4 -0.599 37.1 -88.0 111.0-172.5 -15.5 29.0 6.1 42 42 X I - 0 0 3 21,-0.5 2,-1.9 -2,-0.2 3,-0.1 -0.988 18.7-131.2-139.4 129.7 -12.9 28.3 3.5 43 43 X E > - 0 0 43 -2,-0.4 3,-2.0 1,-0.2 6,-0.2 -0.597 31.1-175.5 -74.4 86.1 -9.2 29.1 3.5 44 44 X A T 3 S+ 0 0 33 -2,-1.9 7,-0.5 1,-0.3 9,-0.4 0.727 73.4 65.5 -59.4 -25.4 -9.4 30.6 -0.0 45 45 X S T 3 S+ 0 0 103 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.543 70.0 121.9 -77.4 -8.3 -5.6 31.2 -0.2 46 46 X H X> - 0 0 11 -3,-2.0 3,-2.4 1,-0.2 4,-0.7 -0.349 70.0-131.1 -55.1 128.3 -4.9 27.5 -0.1 47 47 X P G >4 S+ 0 0 85 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.799 104.1 70.1 -51.0 -26.9 -2.9 26.6 -3.2 48 48 X E G 34 S+ 0 0 12 1,-0.2 32,-2.6 2,-0.1 33,-0.1 0.649 93.9 53.2 -69.5 -14.5 -5.3 23.8 -3.7 49 49 X F G X4 S- 0 0 0 -3,-2.4 3,-2.7 30,-0.2 -1,-0.2 0.621 89.8-151.4-100.3 -15.9 -8.2 26.2 -4.6 50 50 X E T << - 0 0 106 -3,-0.7 -2,-0.1 -4,-0.7 -5,-0.1 0.706 67.4 -55.3 64.3 21.7 -6.2 28.0 -7.3 51 51 X G T 3 S+ 0 0 68 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.470 118.1 108.8 86.3 -0.0 -8.0 31.2 -6.9 52 52 X R < + 0 0 24 -3,-2.7 38,-2.6 -8,-0.1 2,-0.3 0.473 61.5 79.0 -90.5 -1.9 -11.4 29.5 -7.5 53 53 X A E +d 90 0B 9 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.842 53.4 170.2-108.2 149.0 -12.5 29.9 -3.9 54 54 X Q E -d 91 0B 102 36,-1.6 38,-2.6 -2,-0.3 2,-0.5 -0.987 33.2-126.0-152.6 136.2 -13.9 33.0 -2.2 55 55 X M E +d 92 0B 42 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.787 30.2 171.9 -79.0 128.4 -15.5 33.9 1.1 56 56 X V E + 0 0 28 36,-2.6 2,-0.3 -2,-0.5 37,-0.2 0.621 58.9 12.3-110.8 -17.3 -18.8 35.6 0.4 57 57 X K E +d 93 0B 75 35,-1.5 37,-2.8 6,-0.1 -1,-0.3 -0.983 50.6 177.5-160.0 142.8 -20.4 35.8 3.9 58 58 X T E -d 94 0B 35 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.976 19.7-159.6-142.0 159.4 -19.8 35.4 7.6 59 59 X Y S S+ 0 0 66 35,-1.5 2,-0.2 -2,-0.3 36,-0.1 0.177 77.6 69.5-116.1 11.4 -22.0 36.0 10.7 60 60 X Y S S- 0 0 26 2,-0.3 -2,-0.1 34,-0.2 34,-0.1 -0.636 102.8 -87.0-124.2 179.3 -18.9 36.3 12.9 61 61 X Y S S+ 0 0 219 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.741 111.5 29.0 -69.9 -20.9 -16.1 38.7 13.5 62 62 X S - 0 0 55 2,-0.1 -2,-0.3 1,-0.1 -3,-0.2 -0.963 59.1-148.3-134.5 157.8 -14.1 37.1 10.8 63 63 X S + 0 0 49 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.499 67.8 114.5 -93.0 -7.4 -14.7 35.2 7.6 64 64 X R S S- 0 0 66 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.300 75.2-120.1 -61.6 143.3 -11.5 33.2 8.1 65 65 X D + 0 0 10 1,-0.2 -24,-0.2 -23,-0.1 -1,-0.1 -0.775 36.1 173.2 -82.0 101.0 -11.9 29.4 8.7 66 66 X G S S+ 0 0 40 -2,-1.1 -1,-0.2 -26,-0.4 -25,-0.1 0.335 74.1 48.0 -91.0 6.7 -10.3 29.1 12.1 67 67 X N S S- 0 0 46 -27,-0.3 146,-0.1 30,-0.0 -1,-0.1 0.804 88.7-135.8-109.2 -55.6 -11.3 25.5 12.3 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.7 -28,-0.1 5,-0.2 -0.011 78.4 99.5 116.9 -31.1 -10.5 23.6 9.1 69 69 X H H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.938 85.8 44.7 -57.8 -49.7 -13.8 21.7 8.8 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 113.8 51.5 -63.2 -37.2 -15.2 24.1 6.1 71 71 X T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 140,-0.3 0.905 109.2 49.5 -67.8 -41.1 -11.9 24.1 4.3 72 72 X H H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 139,-0.4 0.948 112.4 48.3 -58.1 -50.0 -11.8 20.2 4.2 73 73 X C H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.4 0.944 111.7 48.1 -57.7 -50.9 -15.3 20.1 2.9 74 74 X A H X S+ 0 0 0 -4,-2.6 4,-2.6 -33,-0.2 5,-0.3 0.835 107.4 58.2 -56.5 -36.2 -14.7 22.7 0.2 75 75 X G H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.883 105.8 48.3 -66.0 -36.7 -11.5 20.7 -0.7 76 76 X T H < S+ 0 0 0 -4,-1.8 8,-2.3 -3,-0.4 9,-0.2 0.852 112.7 49.8 -71.4 -35.3 -13.6 17.6 -1.4 77 77 X V H < S- 0 0 0 -4,-1.8 8,-2.9 6,-0.2 -2,-0.2 0.967 138.5 -15.7 -62.1 -52.9 -16.1 19.6 -3.5 78 78 X G H < S+ 0 0 0 -4,-2.6 -3,-0.2 5,-0.2 -2,-0.2 0.255 80.8 133.8-152.2 18.5 -13.5 21.3 -5.7 79 79 X S X - 0 0 0 -4,-2.1 4,-1.7 -5,-0.3 -30,-0.2 -0.436 61.9-116.6 -69.3 152.8 -9.8 21.4 -4.7 80 80 X R T 4 S+ 0 0 100 -32,-2.6 -1,-0.1 1,-0.2 6,-0.1 0.906 109.3 23.5 -60.6 -39.7 -7.4 20.5 -7.6 81 81 X T T 4 S+ 0 0 41 -33,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.879 135.6 30.4 -91.0 -40.5 -6.1 17.3 -5.9 82 82 X Y T 4 S+ 0 0 37 -34,-0.1 2,-0.2 -76,-0.1 -2,-0.2 0.436 98.7 102.5-104.0 1.5 -8.8 16.3 -3.5 83 83 X G < - 0 0 0 -4,-1.7 3,-0.3 1,-0.1 -6,-0.2 -0.580 57.4-152.1 -96.5 149.9 -11.9 17.6 -5.3 84 84 X V S S+ 0 0 0 -8,-2.3 2,-0.8 1,-0.2 -6,-0.2 0.877 100.3 39.8 -74.7 -43.2 -14.7 16.0 -7.3 85 85 X A S > S- 0 0 0 -8,-2.9 3,-1.5 -9,-0.2 -1,-0.2 -0.795 72.8-178.8-113.5 84.6 -15.3 19.1 -9.4 86 86 X K T 3 S+ 0 0 10 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.512 78.6 41.1 -73.4 -6.6 -11.8 20.5 -10.0 87 87 X K T 3 S+ 0 0 80 -58,-2.8 -55,-0.5 2,-0.1 -1,-0.3 0.314 86.3 117.8-121.5 7.4 -13.0 23.5 -12.0 88 88 X T < - 0 0 0 -3,-1.5 2,-0.5 -59,-0.5 -54,-0.2 -0.245 67.6-113.9 -69.5 160.4 -16.0 24.7 -10.0 89 89 X Q E -c 34 0B 70 -56,-1.9 -54,-3.2 -59,-0.3 2,-0.5 -0.867 31.0-150.0 -93.6 132.9 -16.3 28.1 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.6 -36,-1.6 -2,-0.5 2,-0.4 -0.904 11.4-169.2-110.7 128.8 -16.4 27.7 -4.5 91 91 X F E -cd 36 54B 9 -56,-2.5 -54,-2.6 -2,-0.5 2,-0.4 -0.981 11.8-147.5-120.1 123.9 -18.2 30.2 -2.3 92 92 X G E -cd 37 55B 0 -38,-2.6 -36,-2.6 -2,-0.4 -35,-1.5 -0.734 12.9-175.1 -97.7 132.0 -17.8 30.1 1.5 93 93 X V E -cd 38 57B 0 -56,-2.4 -54,-2.0 -2,-0.4 2,-1.3 -0.967 17.1-148.3-127.2 109.4 -20.6 31.1 3.9 94 94 X K E +cd 39 58B 4 -37,-2.8 -35,-1.5 -2,-0.5 -34,-0.2 -0.672 41.9 143.3 -89.3 89.6 -19.4 31.0 7.5 95 95 X V + 0 0 0 -2,-1.3 2,-0.4 -56,-1.2 -1,-0.2 0.483 62.1 69.7 -94.0 -9.6 -22.5 30.0 9.6 96 96 X L S S- 0 0 11 -57,-2.1 6,-0.2 -3,-0.2 -57,-0.1 -0.915 79.5-131.7-113.9 138.5 -20.3 28.0 12.0 97 97 X D > - 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