==== 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 08-JUN-08 3DE6 . 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) . 10289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 67.4 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 . 57 20.4 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 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 31 0, 0.0 24,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 155.6 -9.3 12.8 -17.6 2 2 X A E -A 24 0A 64 22,-0.2 2,-0.7 277,-0.0 22,-0.2 -0.990 360.0-163.3-141.2 120.7 -7.6 10.4 -15.1 3 3 X Q E > -A 23 0A 30 20,-3.0 20,-2.8 -2,-0.4 3,-0.6 -0.930 22.0-145.2-107.3 107.1 -6.1 11.5 -11.8 4 4 X T T 3 S+ 0 0 100 -2,-0.7 18,-0.2 1,-0.2 -2,-0.0 -0.381 77.0 14.3 -74.2 153.8 -3.8 8.7 -10.6 5 5 X N T 3 S+ 0 0 135 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.897 88.1 173.3 47.1 48.6 -3.4 7.9 -7.0 6 6 X A < - 0 0 9 15,-2.9 -1,-0.1 -3,-0.6 76,-0.1 -0.351 46.0 -80.4 -72.9 162.4 -6.5 9.9 -6.2 7 7 X P >> - 0 0 19 0, 0.0 4,-2.0 0, 0.0 3,-1.1 -0.378 49.9-111.5 -53.7 144.7 -8.0 9.9 -2.6 8 8 X W H 3> S+ 0 0 24 1,-0.3 4,-2.8 199,-0.2 5,-0.2 0.859 115.6 59.4 -53.9 -36.8 -10.1 6.7 -2.4 9 9 X G H 3> S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.849 106.1 47.1 -62.0 -36.7 -13.4 8.6 -2.3 10 10 X L H <> S+ 0 0 1 -3,-1.1 4,-0.8 2,-0.2 14,-0.3 0.914 112.2 48.7 -71.7 -46.6 -12.7 10.2 -5.7 11 11 X A H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.946 110.9 53.1 -58.0 -43.0 -11.7 6.9 -7.2 12 12 X R H >< S+ 0 0 5 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.815 102.0 57.1 -62.8 -37.2 -14.9 5.3 -5.7 13 13 X I H 3< S+ 0 0 0 -4,-1.4 262,-2.6 1,-0.3 263,-0.3 0.632 112.0 42.9 -69.2 -20.5 -17.2 7.9 -7.2 14 14 X S T << S+ 0 0 8 -3,-1.3 2,-0.4 -4,-0.8 -1,-0.3 0.167 105.6 84.9-111.7 18.9 -16.0 7.1 -10.7 15 15 X S < - 0 0 14 -3,-1.2 242,-0.1 1,-0.1 261,-0.1 -0.897 62.5-150.6-125.9 147.3 -16.0 3.4 -10.2 16 16 X T S S+ 0 0 91 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.555 91.4 33.6 -80.1 -10.5 -18.4 0.4 -10.5 17 17 X S S S- 0 0 55 240,-0.0 3,-0.3 -5,-0.0 -1,-0.1 -0.991 82.3-110.1-149.5 156.0 -16.3 -1.3 -7.8 18 18 X P S S+ 0 0 59 0, 0.0 168,-0.1 0, 0.0 -2,-0.1 -0.202 84.5 56.1 -74.0 168.5 -14.3 -0.7 -4.7 19 19 X G S S+ 0 0 84 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.569 74.8 112.6 91.8 8.7 -10.5 -1.1 -4.4 20 20 X T - 0 0 67 -3,-0.3 -1,-0.3 -12,-0.1 -8,-0.1 -0.774 46.6-159.4-115.2 161.9 -9.2 1.2 -7.2 21 21 X S + 0 0 59 -2,-0.3 -15,-2.9 -10,-0.1 2,-0.4 0.239 57.4 94.1-130.3 11.8 -7.2 4.5 -6.9 22 22 X T - 0 0 26 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.914 60.7-143.7-105.9 134.5 -7.6 6.5 -10.1 23 23 X Y E -A 3 0A 0 -20,-2.8 -20,-3.0 -2,-0.4 2,-0.4 -0.879 15.6-166.1 -95.4 125.7 -10.2 9.2 -10.4 24 24 X Y E +A 2 0A 92 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.932 20.5 148.7-111.7 132.6 -11.9 9.5 -14.0 25 25 X Y - 0 0 33 -24,-1.6 2,-0.2 -2,-0.4 -11,-0.0 -0.993 51.9 -89.5-157.5 155.7 -14.0 12.5 -14.9 26 26 X D > - 0 0 48 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.530 39.4-124.3 -68.5 137.6 -14.9 14.6 -17.9 27 27 X E T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.694 103.8 79.8 -60.2 -22.9 -12.4 17.5 -18.3 28 28 X S T > S- 0 0 34 1,-0.1 3,-2.2 2,-0.1 -1,-0.3 0.905 77.6-175.6 -48.9 -40.2 -15.2 20.1 -18.2 29 29 X A T < - 0 0 1 -3,-1.9 58,-2.6 1,-0.3 59,-0.5 0.737 64.5 -49.9 57.6 29.0 -14.8 19.3 -14.5 30 30 X G T > S+ 0 0 0 206,-0.4 3,-1.8 1,-0.2 -1,-0.3 0.587 85.7 169.9 85.8 7.0 -17.6 21.5 -13.2 31 31 X Q T < + 0 0 114 -3,-2.2 -1,-0.2 1,-0.3 57,-0.2 -0.296 65.2 18.6 -56.3 132.5 -16.5 24.6 -15.1 32 32 X G T 3 S+ 0 0 25 55,-0.5 93,-2.7 1,-0.4 94,-0.6 0.528 103.1 105.4 79.7 8.6 -19.2 27.4 -15.0 33 33 X S E < -b 126 0B 1 -3,-1.8 56,-1.8 92,-0.2 -1,-0.4 -0.684 58.3-141.5-104.5 172.4 -21.0 26.0 -12.0 34 34 X a E -bc 127 89B 0 92,-1.7 94,-2.4 -2,-0.2 2,-0.4 -0.996 8.2-163.4-133.1 141.8 -20.9 27.3 -8.4 35 35 X V E -bc 128 90B 0 54,-3.0 56,-2.6 -2,-0.4 2,-0.4 -0.984 6.9-155.2-127.4 122.0 -20.8 25.6 -5.0 36 36 X Y E -bc 129 91B 0 92,-2.6 94,-2.6 -2,-0.4 2,-0.6 -0.784 6.1-157.1 -84.3 131.3 -21.6 27.3 -1.8 37 37 X V E -bc 130 92B 3 54,-2.8 56,-2.8 -2,-0.4 2,-0.8 -0.952 5.9-164.0-110.0 112.7 -20.0 25.6 1.3 38 38 X I E +bc 131 93B 0 92,-2.2 94,-0.6 -2,-0.6 56,-0.2 -0.887 52.0 78.5-105.5 104.5 -22.0 26.6 4.3 39 39 X D E S- c 0 94B 1 54,-2.4 57,-2.3 -2,-0.8 56,-1.2 -0.578 99.9 -25.1-171.8-138.2 -19.8 25.8 7.3 40 40 X T S S- 0 0 1 1,-0.3 26,-0.4 54,-0.2 27,-0.2 0.376 97.2-100.8 -90.3 3.4 -16.9 27.2 9.3 41 41 X G - 0 0 1 52,-0.4 2,-0.4 24,-0.1 -1,-0.3 -0.556 37.4 -85.8 107.6-174.1 -15.7 29.2 6.2 42 42 X I - 0 0 3 21,-0.6 2,-1.8 -2,-0.2 3,-0.1 -0.992 16.9-131.2-141.2 129.6 -12.9 28.5 3.6 43 43 X E > - 0 0 43 -2,-0.4 3,-2.0 1,-0.2 6,-0.1 -0.631 32.5-175.1 -75.8 86.6 -9.2 29.3 3.6 44 44 X A T 3 S+ 0 0 34 -2,-1.8 7,-0.5 1,-0.3 9,-0.4 0.758 73.1 64.6 -57.4 -30.0 -9.4 30.8 0.1 45 45 X S T 3 + 0 0 102 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.493 69.0 125.1 -78.8 -3.8 -5.7 31.3 -0.2 46 46 X H X> - 0 0 9 -3,-2.0 3,-2.6 1,-0.2 4,-0.5 -0.387 67.3-131.5 -57.2 124.8 -5.0 27.5 -0.0 47 47 X P G >4 S+ 0 0 83 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.790 103.1 68.6 -48.8 -31.3 -2.9 26.8 -3.2 48 48 X E G 34 S+ 0 0 13 1,-0.3 32,-2.4 2,-0.1 33,-0.2 0.577 94.5 54.0 -64.9 -15.8 -5.2 23.8 -3.9 49 49 X F G X4 S- 0 0 0 -3,-2.6 3,-2.4 30,-0.2 -1,-0.3 0.575 90.9-153.6 -97.2 -15.5 -8.2 26.1 -4.7 50 50 X E T << - 0 0 105 -3,-1.2 -2,-0.1 -4,-0.5 -5,-0.1 0.715 66.2 -51.1 58.7 33.2 -6.1 28.1 -7.3 51 51 X G T 3 S+ 0 0 72 -7,-0.5 -1,-0.3 -5,-0.3 -6,-0.1 0.395 118.0 106.2 83.9 -6.7 -8.0 31.4 -7.1 52 52 X R < + 0 0 23 -3,-2.4 38,-3.0 -8,-0.1 2,-0.4 0.468 62.4 82.7 -88.7 0.6 -11.4 29.6 -7.5 53 53 X A E +d 90 0B 12 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.887 50.3 166.9-111.1 144.0 -12.4 30.1 -3.8 54 54 X Q E -d 91 0B 97 36,-1.8 38,-2.4 -2,-0.4 2,-0.5 -0.991 33.2-129.2-147.4 139.0 -13.9 33.1 -2.2 55 55 X M E +d 92 0B 38 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.802 27.9 172.5 -79.9 130.0 -15.6 33.9 1.2 56 56 X V E + 0 0 29 36,-2.5 2,-0.3 -2,-0.5 37,-0.2 0.552 59.6 15.5-113.6 -11.6 -18.9 35.7 0.5 57 57 X K E +d 93 0B 73 35,-1.3 37,-2.8 6,-0.1 -1,-0.3 -0.937 50.1 174.3-166.0 136.5 -20.4 35.9 4.0 58 58 X T E -d 94 0B 36 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.984 19.2-160.4-138.4 153.9 -19.7 35.5 7.6 59 59 X Y S S+ 0 0 66 35,-1.5 2,-0.2 -2,-0.3 36,-0.1 0.199 75.8 68.6-108.4 11.2 -21.8 36.1 10.8 60 60 X Y S S- 0 0 23 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.657 103.2 -82.5-124.7 176.5 -18.8 36.3 13.1 61 61 X Y S S+ 0 0 214 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.727 112.4 24.3 -55.4 -28.5 -15.9 38.7 13.7 62 62 X S - 0 0 54 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.943 58.9-145.9-137.1 162.0 -14.0 37.1 10.9 63 63 X S + 0 0 50 -2,-0.3 -21,-0.6 -5,-0.1 -6,-0.1 0.479 68.3 111.8 -99.0 -4.5 -14.6 35.3 7.6 64 64 X R S S- 0 0 68 -23,-0.1 2,-0.9 1,-0.1 -21,-0.1 -0.341 77.8-114.3 -66.3 146.8 -11.4 33.2 8.0 65 65 X D + 0 0 10 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.730 38.6 171.9 -81.4 109.4 -11.8 29.5 8.7 66 66 X G S S+ 0 0 38 -2,-0.9 -1,-0.2 -26,-0.4 -25,-0.1 0.371 74.8 45.8 -97.9 4.2 -10.3 29.1 12.2 67 67 X N S S- 0 0 45 -27,-0.2 146,-0.1 -3,-0.0 -2,-0.1 0.810 89.3-136.2-112.0 -58.8 -11.4 25.5 12.4 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.3 -27,-0.1 5,-0.2 -0.070 76.7 101.6 121.1 -29.2 -10.5 23.7 9.2 69 69 X H H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.925 84.2 44.5 -55.9 -49.3 -13.7 21.8 8.7 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.872 111.9 53.0 -66.6 -34.2 -15.2 24.1 6.1 71 71 X T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 140,-0.3 0.887 108.8 50.5 -65.9 -35.9 -11.9 24.2 4.2 72 72 X H H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 139,-0.4 0.938 110.7 48.4 -66.1 -47.3 -11.8 20.4 4.2 73 73 X C H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 3,-0.4 0.938 110.7 51.5 -54.7 -47.7 -15.3 20.2 2.8 74 74 X A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 5,-0.3 0.818 106.2 54.2 -60.5 -34.9 -14.5 22.8 0.2 75 75 X G H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.3 0.825 106.7 51.9 -72.5 -31.9 -11.4 20.9 -0.9 76 76 X T H < S+ 0 0 1 -4,-1.7 8,-2.3 -3,-0.4 9,-0.2 0.853 113.3 45.4 -72.4 -34.2 -13.6 17.7 -1.5 77 77 X V H < S- 0 0 0 -4,-1.8 8,-3.4 6,-0.2 -2,-0.2 0.967 140.0 -11.5 -64.6 -52.2 -16.0 19.7 -3.6 78 78 X G H < S+ 0 0 0 -4,-2.6 -3,-0.2 5,-0.2 -2,-0.2 0.321 80.9 129.4-147.0 9.9 -13.4 21.5 -5.7 79 79 X S X - 0 0 0 -4,-1.8 4,-1.6 -5,-0.3 -30,-0.2 -0.396 63.2-117.5 -66.4 155.6 -9.7 21.5 -4.8 80 80 X R T 4 S+ 0 0 102 -32,-2.4 -1,-0.1 1,-0.2 6,-0.1 0.884 109.4 25.5 -63.0 -39.2 -7.4 20.5 -7.8 81 81 X T T 4 S+ 0 0 40 -33,-0.2 -1,-0.2 1,-0.1 5,-0.1 0.864 134.6 28.8 -90.5 -41.4 -6.1 17.4 -6.0 82 82 X Y T 4 S+ 0 0 37 -34,-0.1 2,-0.2 -7,-0.1 -2,-0.2 0.405 99.2 100.0-103.5 -1.1 -8.8 16.4 -3.5 83 83 X G < - 0 0 0 -4,-1.6 3,-0.3 1,-0.1 -6,-0.2 -0.613 58.5-149.4 -98.6 150.2 -12.0 17.7 -5.3 84 84 X V S S+ 0 0 0 -8,-2.3 2,-0.9 -2,-0.2 -6,-0.2 0.927 100.1 41.3 -70.5 -48.3 -14.7 16.1 -7.4 85 85 X A S > S- 0 0 0 -8,-3.4 3,-1.5 -9,-0.2 -1,-0.2 -0.741 72.1-179.1-105.7 87.3 -15.4 19.3 -9.5 86 86 X K T 3 S+ 0 0 13 -2,-0.9 -56,-0.2 -3,-0.3 -1,-0.1 0.525 78.4 41.1 -71.9 -5.2 -11.9 20.6 -10.1 87 87 X K T 3 S+ 0 0 91 -58,-2.6 -55,-0.5 2,-0.1 -1,-0.3 0.360 86.7 115.9-125.3 6.0 -13.0 23.6 -12.1 88 88 X T < - 0 0 0 -3,-1.5 2,-0.4 -59,-0.5 -54,-0.2 -0.267 67.5-112.8 -67.1 157.2 -16.0 24.8 -10.1 89 89 X Q E -c 34 0B 74 -56,-1.8 -54,-3.0 -59,-0.3 2,-0.4 -0.790 31.1-148.5 -87.5 137.1 -16.2 28.2 -8.2 90 90 X L E -cd 35 53B 0 -38,-3.0 -36,-1.8 -2,-0.4 2,-0.5 -0.918 12.7-171.1-113.2 132.6 -16.4 27.8 -4.4 91 91 X F E -cd 36 54B 7 -56,-2.6 -54,-2.8 -2,-0.4 2,-0.4 -0.983 11.6-149.5-124.7 124.7 -18.2 30.3 -2.2 92 92 X G E -cd 37 55B 0 -38,-2.4 -36,-2.5 -2,-0.5 -35,-1.3 -0.797 11.5-173.3-102.5 134.6 -17.9 30.1 1.6 93 93 X V E -cd 38 57B 0 -56,-2.8 -54,-2.4 -2,-0.4 2,-1.1 -0.991 15.3-149.9-122.7 115.6 -20.6 31.0 4.0 94 94 X K E +cd 39 58B 4 -37,-2.8 -35,-1.5 -2,-0.5 -54,-0.2 -0.747 40.1 144.4 -94.7 93.4 -19.5 31.0 7.6 95 95 X V + 0 0 0 -56,-1.2 2,-0.4 -2,-1.1 -1,-0.2 0.469 62.3 68.8 -96.9 -9.3 -22.5 30.1 9.7 96 96 X L S S- 0 0 12 -57,-2.3 6,-0.3 -3,-0.2 -57,-0.1 -0.916 79.8-131.2-112.7 142.3 -20.4 28.1 12.2 97 97 X D > - 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