==== 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 3DE3 . 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) . 10213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 68.1 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 . 22 7.9 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 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 25 0, 0.0 24,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 150.1 -9.5 12.7 -17.6 2 2 X A E -A 24 0A 63 22,-0.2 2,-0.6 277,-0.0 22,-0.2 -0.994 360.0-165.9-133.2 126.5 -7.7 10.4 -15.2 3 3 X Q E > -A 23 0A 31 20,-2.9 20,-2.3 -2,-0.4 3,-0.5 -0.931 21.3-147.7-108.6 108.5 -6.1 11.5 -11.8 4 4 X T T 3 S+ 0 0 98 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.366 74.7 16.7 -75.9 156.3 -3.8 8.7 -10.6 5 5 X N T 3 S+ 0 0 138 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.896 88.5 169.1 48.8 47.8 -3.3 7.9 -6.9 6 6 X A < - 0 0 10 15,-3.0 -1,-0.1 -3,-0.5 76,-0.1 -0.404 47.7 -79.6 -80.4 160.5 -6.4 9.9 -6.0 7 7 X P >> - 0 0 18 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.359 49.9-112.5 -55.0 145.2 -8.1 9.9 -2.6 8 8 X W H 3> S+ 0 0 23 1,-0.2 4,-2.6 199,-0.2 12,-0.2 0.828 113.7 59.6 -55.1 -35.6 -10.1 6.7 -2.4 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.877 104.7 47.3 -62.1 -43.3 -13.4 8.6 -2.3 10 10 X L H <> S+ 0 0 0 -3,-0.8 4,-0.8 2,-0.2 14,-0.3 0.927 113.8 48.5 -63.7 -45.6 -12.8 10.3 -5.7 11 11 X A H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.913 110.2 53.3 -58.4 -40.4 -11.8 7.0 -7.2 12 12 X R H >< S+ 0 0 5 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.892 102.9 55.3 -65.1 -40.4 -14.9 5.4 -5.7 13 13 X I H 3< S+ 0 0 0 -4,-2.0 262,-3.1 1,-0.3 263,-0.3 0.653 112.4 43.7 -70.4 -14.4 -17.3 7.9 -7.2 14 14 X S T << S+ 0 0 9 -3,-0.9 2,-0.4 -4,-0.8 -1,-0.3 0.163 105.1 84.6-111.9 18.7 -16.0 7.1 -10.7 15 15 X S < - 0 0 14 -3,-1.6 242,-0.1 1,-0.1 261,-0.1 -0.917 61.6-152.3-126.0 147.4 -15.9 3.4 -10.2 16 16 X T S S+ 0 0 93 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.517 92.3 38.6 -84.0 -7.7 -18.3 0.4 -10.5 17 17 X S S S- 0 0 57 -5,-0.0 3,-0.4 240,-0.0 -3,-0.1 -0.988 82.5-117.8-141.9 149.5 -16.2 -1.4 -7.9 18 18 X P S S+ 0 0 54 0, 0.0 168,-0.1 0, 0.0 3,-0.1 -0.268 84.6 58.5 -72.9 170.2 -14.3 -0.5 -4.7 19 19 X G S S+ 0 0 77 166,-0.5 2,-0.3 1,-0.3 167,-0.1 0.587 74.1 113.8 89.1 12.3 -10.6 -0.9 -4.3 20 20 X T - 0 0 63 -3,-0.4 -1,-0.3 -12,-0.2 -9,-0.1 -0.745 47.7-158.1-112.1 165.2 -9.2 1.3 -7.2 21 21 X S + 0 0 59 -2,-0.3 -15,-3.0 -10,-0.1 2,-0.5 0.286 58.8 93.8-130.5 7.6 -7.2 4.5 -6.8 22 22 X T - 0 0 24 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.905 60.2-145.6-106.7 133.1 -7.7 6.5 -10.1 23 23 X Y E -A 3 0A 1 -20,-2.3 -20,-2.9 -2,-0.5 2,-0.4 -0.860 14.6-163.9 -96.5 122.9 -10.4 9.1 -10.4 24 24 X Y E +A 2 0A 91 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.933 20.8 149.9-110.5 132.7 -11.9 9.4 -13.9 25 25 X Y - 0 0 29 -24,-1.7 2,-0.1 -2,-0.4 -11,-0.0 -0.996 50.8 -90.7-157.5 150.2 -14.0 12.5 -14.9 26 26 X D > - 0 0 51 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.472 41.3-122.0 -64.1 138.0 -14.9 14.5 -17.9 27 27 X E T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.681 104.3 79.7 -58.7 -22.7 -12.4 17.4 -18.3 28 28 X S T > S- 0 0 40 1,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.852 75.4-174.4 -55.9 -35.0 -15.1 20.0 -18.1 29 29 X A T < - 0 0 0 -3,-2.0 58,-2.9 1,-0.3 59,-0.4 0.714 65.1 -51.9 53.8 33.9 -14.8 19.4 -14.4 30 30 X G T > S+ 0 0 0 206,-0.4 3,-2.0 1,-0.2 -1,-0.3 0.610 85.5 166.8 78.5 11.3 -17.7 21.5 -13.1 31 31 X Q T < + 0 0 126 -3,-2.5 -1,-0.2 1,-0.3 57,-0.2 -0.347 66.3 23.9 -58.4 136.9 -16.5 24.6 -15.0 32 32 X G T 3 S+ 0 0 24 55,-0.5 93,-2.9 1,-0.4 94,-0.6 0.418 104.6 102.4 86.0 -2.7 -19.2 27.3 -15.1 33 33 X S E < -b 126 0B 0 -3,-2.0 56,-1.8 92,-0.2 -1,-0.4 -0.630 58.8-144.9-102.3 168.4 -20.9 25.9 -12.0 34 34 X a E -bc 127 89B 0 92,-1.8 94,-2.3 -2,-0.2 2,-0.4 -0.999 6.6-163.5-135.0 140.5 -20.8 27.3 -8.4 35 35 X V E -bc 128 90B 0 54,-3.0 56,-2.5 -2,-0.4 2,-0.4 -0.986 7.8-153.5-125.7 121.6 -20.8 25.5 -5.1 36 36 X Y E -bc 129 91B 0 92,-3.0 94,-3.1 -2,-0.4 2,-0.6 -0.775 6.4-156.2 -85.6 133.2 -21.6 27.2 -1.8 37 37 X V E -bc 130 92B 0 54,-2.8 56,-2.5 -2,-0.4 2,-0.8 -0.948 4.8-163.2-113.3 110.0 -20.0 25.6 1.2 38 38 X I E +bc 131 93B 0 92,-2.4 94,-0.7 -2,-0.6 2,-0.2 -0.839 52.0 82.8-100.0 105.9 -22.0 26.6 4.3 39 39 X D E S- c 0 94B 0 54,-2.2 57,-2.2 -2,-0.8 56,-1.3 -0.617 97.6 -31.0-169.7-144.2 -19.8 25.8 7.2 40 40 X T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.2 0.371 97.4 -94.3 -86.9 3.6 -16.9 27.2 9.2 41 41 X G - 0 0 0 52,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.652 38.1 -91.7 113.5-175.2 -15.5 29.1 6.2 42 42 X I - 0 0 3 21,-0.5 2,-1.8 -2,-0.2 3,-0.1 -0.984 17.4-131.6-140.6 132.2 -12.9 28.4 3.5 43 43 X E > - 0 0 43 -2,-0.3 3,-1.9 1,-0.2 6,-0.2 -0.648 32.1-176.7 -77.6 87.4 -9.2 29.2 3.6 44 44 X A T 3 S+ 0 0 31 -2,-1.8 7,-0.5 1,-0.3 9,-0.4 0.714 71.7 66.5 -63.9 -22.2 -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 0.525 70.2 122.4 -78.7 -6.6 -5.7 31.3 -0.2 46 46 X H X> - 0 0 10 -3,-1.9 3,-2.7 1,-0.2 4,-0.6 -0.376 69.3-131.7 -58.2 127.5 -4.9 27.6 -0.1 47 47 X P G >4 S+ 0 0 104 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.814 103.8 69.7 -51.4 -30.0 -2.9 26.7 -3.2 48 48 X E G 34 S+ 0 0 27 1,-0.2 32,-2.6 2,-0.1 33,-0.1 0.693 94.2 55.3 -61.8 -20.2 -5.3 23.8 -3.8 49 49 X F G X4 S- 0 0 0 -3,-2.7 3,-2.5 30,-0.2 -1,-0.2 0.629 89.7-151.2 -92.7 -16.8 -8.1 26.2 -4.6 50 50 X E T << - 0 0 103 -3,-1.1 -2,-0.1 -4,-0.6 -5,-0.1 0.717 67.0 -57.0 62.1 23.8 -6.2 28.0 -7.4 51 51 X G T 3 S+ 0 0 68 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.520 116.8 110.0 83.1 4.9 -8.0 31.3 -6.9 52 52 X R < + 0 0 25 -3,-2.5 38,-2.9 -8,-0.1 2,-0.3 0.411 60.8 80.1 -91.8 -1.0 -11.4 29.6 -7.5 53 53 X A E +d 90 0B 8 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.863 52.2 168.7-109.9 146.9 -12.5 30.0 -3.8 54 54 X Q E -d 91 0B 101 36,-1.5 38,-2.8 -2,-0.3 2,-0.4 -0.979 33.4-126.9-152.3 135.1 -13.9 33.1 -2.2 55 55 X M E +d 92 0B 41 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.760 29.8 171.4 -77.5 132.1 -15.5 33.9 1.2 56 56 X V E + 0 0 28 36,-2.6 2,-0.3 -2,-0.4 37,-0.2 0.560 59.6 17.0-116.4 -15.8 -18.8 35.7 0.4 57 57 X K E +d 93 0B 75 35,-1.5 37,-3.0 6,-0.1 -1,-0.3 -0.972 50.6 172.9-159.9 140.9 -20.4 35.8 3.9 58 58 X T E -d 94 0B 37 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.987 19.9-161.1-143.0 154.0 -19.7 35.5 7.6 59 59 X Y S S+ 0 0 67 35,-1.5 2,-0.2 -2,-0.3 36,-0.1 0.193 76.4 72.0-113.0 12.0 -21.8 36.1 10.7 60 60 X Y S S- 0 0 30 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.615 102.1 -89.1-123.8 179.5 -18.8 36.3 13.0 61 61 X Y S S+ 0 0 226 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.705 111.4 30.2 -73.8 -15.3 -16.0 38.7 13.6 62 62 X S - 0 0 55 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.961 59.6-149.4-136.5 157.2 -14.0 37.1 10.8 63 63 X S + 0 0 51 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.452 67.3 113.0 -96.8 -4.7 -14.6 35.2 7.6 64 64 X R S S- 0 0 64 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.349 76.1-117.8 -68.4 146.0 -11.5 33.1 8.0 65 65 X D + 0 0 8 1,-0.1 -24,-0.1 -23,-0.1 -1,-0.1 -0.786 37.4 171.3 -81.0 101.0 -11.8 29.4 8.7 66 66 X G S S+ 0 0 39 -2,-1.1 -1,-0.1 -26,-0.4 -25,-0.1 0.285 74.4 48.3 -90.9 8.7 -10.2 29.1 12.1 67 67 X N S S- 0 0 45 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.780 89.3-136.8-111.3 -54.8 -11.4 25.5 12.4 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.5 -28,-0.1 5,-0.2 -0.038 77.8 99.6 117.1 -30.0 -10.5 23.6 9.2 69 69 X H H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.929 84.4 46.8 -60.4 -47.3 -13.7 21.7 8.7 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.875 112.6 51.0 -60.2 -38.5 -15.1 24.1 6.1 71 71 X T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 140,-0.3 0.891 109.3 50.7 -67.1 -39.5 -11.8 24.1 4.2 72 72 X H H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 139,-0.4 0.954 112.0 46.6 -62.2 -49.8 -11.8 20.3 4.2 73 73 X C H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 3,-0.3 0.932 112.1 49.7 -58.7 -48.1 -15.4 20.1 2.8 74 74 X A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.869 107.3 56.9 -59.0 -36.9 -14.6 22.8 0.2 75 75 X G H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.877 105.8 49.4 -62.0 -36.9 -11.6 20.8 -0.8 76 76 X T H < S+ 0 0 1 -4,-1.8 8,-2.3 -3,-0.3 -1,-0.2 0.850 112.3 49.2 -73.3 -31.8 -13.7 17.7 -1.4 77 77 X V H < S- 0 0 0 -4,-1.8 8,-3.1 6,-0.2 -2,-0.2 0.968 138.3 -15.4 -67.0 -52.0 -16.1 19.7 -3.6 78 78 X G H < S+ 0 0 0 -4,-2.7 -3,-0.2 5,-0.2 -2,-0.2 0.258 80.2 133.7-151.7 21.2 -13.5 21.4 -5.7 79 79 X S X - 0 0 0 -4,-2.1 4,-1.6 -5,-0.3 -30,-0.2 -0.425 62.1-115.1 -70.2 155.9 -9.8 21.4 -4.8 80 80 X R T 4 S+ 0 0 143 -32,-2.6 -1,-0.1 1,-0.2 6,-0.1 0.905 110.1 22.6 -57.6 -43.8 -7.4 20.5 -7.6 81 81 X T T 4 S+ 0 0 29 -33,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.870 134.9 30.9 -92.7 -40.7 -6.1 17.4 -5.9 82 82 X Y T 4 S+ 0 0 35 -76,-0.1 2,-0.3 -34,-0.1 -2,-0.2 0.394 97.9 103.5-105.6 4.1 -8.9 16.4 -3.5 83 83 X G < - 0 0 0 -4,-1.6 3,-0.3 1,-0.1 -6,-0.2 -0.626 56.9-151.9 -99.5 148.5 -11.9 17.7 -5.3 84 84 X V S S+ 0 0 0 -8,-2.3 2,-0.7 -2,-0.3 -6,-0.2 0.902 100.0 37.9 -71.2 -46.6 -14.7 16.1 -7.4 85 85 X A S > S- 0 0 0 -8,-3.1 3,-1.5 -9,-0.2 -1,-0.2 -0.803 72.7-178.6-113.1 87.4 -15.4 19.2 -9.5 86 86 X K T 3 S+ 0 0 8 -2,-0.7 -56,-0.2 -3,-0.3 -1,-0.1 0.500 77.7 42.6 -74.9 -5.7 -11.9 20.6 -10.0 87 87 X K T 3 S+ 0 0 83 -58,-2.9 -55,-0.5 2,-0.1 -1,-0.3 0.267 86.2 117.4-120.9 10.4 -13.0 23.7 -12.1 88 88 X T < - 0 0 0 -3,-1.5 2,-0.5 -59,-0.4 -54,-0.2 -0.273 68.1-113.7 -72.4 160.3 -16.0 24.8 -10.1 89 89 X Q E -c 34 0B 71 -56,-1.8 -54,-3.0 -59,-0.3 2,-0.5 -0.877 30.6-149.9 -93.3 130.3 -16.2 28.2 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.9 -36,-1.5 -2,-0.5 2,-0.5 -0.888 11.4-169.9-105.8 130.1 -16.4 27.8 -4.5 91 91 X F E -cd 36 54B 10 -56,-2.5 -54,-2.8 -2,-0.5 2,-0.4 -0.980 12.5-146.0-121.5 123.5 -18.2 30.3 -2.3 92 92 X G E -cd 37 55B 0 -38,-2.8 -36,-2.6 -2,-0.5 -35,-1.5 -0.739 13.5-174.8 -94.7 133.7 -17.8 30.2 1.5 93 93 X V E -cd 38 57B 0 -56,-2.5 -54,-2.2 -2,-0.4 2,-1.3 -0.962 16.0-150.6-124.8 108.9 -20.6 31.1 3.9 94 94 X K E +cd 39 58B 3 -37,-3.0 -35,-1.5 -2,-0.5 -34,-0.2 -0.665 40.1 144.2 -89.1 90.7 -19.4 31.0 7.5 95 95 X V + 0 0 0 -2,-1.3 2,-0.4 -56,-1.3 8,-0.2 0.536 61.2 68.5 -95.0 -12.6 -22.5 30.1 9.6 96 96 X L S S- 0 0 8 -57,-2.2 6,-0.2 -3,-0.2 -57,-0.1 -0.896 80.2-129.7-111.4 139.8 -20.4 28.1 12.1 97 97 X D > - 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