==== 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 3DDZ . 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) . 10158.0 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 . 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 . 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 . 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 0 1 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 X A 0 0 26 0, 0.0 24,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 155.0 -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 -0.995 360.0-166.2-135.9 128.7 -7.6 10.4 -15.1 3 3 X Q E > -A 23 0A 28 20,-2.9 20,-2.3 -2,-0.4 3,-0.6 -0.919 20.4-147.3-114.9 108.3 -6.0 11.3 -11.8 4 4 X T T 3 S+ 0 0 98 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.346 75.7 15.4 -73.9 156.6 -3.8 8.6 -10.5 5 5 X N T 3 S+ 0 0 139 1,-0.1 -1,-0.2 -2,-0.0 17,-0.2 0.872 88.1 169.0 47.8 45.5 -3.3 7.8 -6.8 6 6 X A < - 0 0 9 15,-2.6 -1,-0.1 -3,-0.6 76,-0.1 -0.392 48.5 -78.4 -77.6 159.7 -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 -0.341 49.6-113.0 -53.4 145.7 -8.0 9.8 -2.5 8 8 X W H 3> S+ 0 0 21 1,-0.3 4,-2.8 199,-0.2 12,-0.2 0.826 114.7 60.1 -57.5 -33.8 -10.1 6.6 -2.3 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.887 104.8 47.3 -60.4 -43.9 -13.3 8.6 -2.3 10 10 X L H <> S+ 0 0 0 -3,-0.9 4,-0.8 2,-0.2 14,-0.3 0.936 113.7 47.6 -64.8 -46.6 -12.7 10.2 -5.6 11 11 X A H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.914 110.9 53.4 -59.5 -40.5 -11.8 6.8 -7.2 12 12 X R H >< S+ 0 0 5 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.907 102.3 56.8 -63.0 -42.5 -14.9 5.3 -5.6 13 13 X I H 3< S+ 0 0 0 -4,-2.1 262,-3.0 1,-0.3 263,-0.3 0.679 112.7 41.9 -65.0 -17.1 -17.2 7.9 -7.1 14 14 X S T << S+ 0 0 9 -3,-0.9 2,-0.4 -4,-0.8 -1,-0.3 0.156 105.0 85.9-115.6 19.3 -16.0 7.0 -10.6 15 15 X S < - 0 0 13 -3,-1.7 242,-0.1 1,-0.1 261,-0.1 -0.939 61.5-152.0-126.1 146.0 -15.9 3.3 -10.2 16 16 X T S S+ 0 0 95 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.473 91.7 39.4 -80.9 -6.8 -18.3 0.3 -10.4 17 17 X S S S- 0 0 52 -5,-0.1 3,-0.4 240,-0.0 -3,-0.1 -0.997 81.5-117.8-144.1 149.3 -16.2 -1.4 -7.8 18 18 X P S S+ 0 0 55 0, 0.0 168,-0.1 0, 0.0 3,-0.1 -0.296 84.8 58.1 -72.9 169.0 -14.3 -0.7 -4.6 19 19 X G S S+ 0 0 80 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.594 74.7 114.9 92.0 13.9 -10.6 -1.1 -4.3 20 20 X T - 0 0 61 -3,-0.4 -1,-0.3 -12,-0.2 -9,-0.1 -0.740 46.7-158.9-114.2 165.7 -9.3 1.2 -7.1 21 21 X S + 0 0 59 -2,-0.3 -15,-2.6 -10,-0.1 2,-0.5 0.356 58.4 92.1-129.2 4.9 -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 -0.905 60.9-143.8-107.5 131.5 -7.6 6.4 -10.0 23 23 X Y E -A 3 0A 0 -20,-2.3 -20,-2.9 -2,-0.5 2,-0.5 -0.851 15.4-164.2 -93.6 124.2 -10.3 9.1 -10.3 24 24 X Y E +A 2 0A 90 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.922 21.0 149.5-111.5 130.7 -11.9 9.3 -13.8 25 25 X Y - 0 0 30 -24,-1.8 2,-0.1 -2,-0.5 -11,-0.0 -0.993 51.3 -91.1-156.9 150.8 -13.9 12.3 -14.8 26 26 X D > - 0 0 49 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.448 40.8-123.5 -62.3 134.7 -14.9 14.5 -17.8 27 27 X E T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.685 104.1 80.1 -58.4 -21.4 -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 0.874 75.5-175.5 -54.4 -36.4 -15.1 19.9 -18.0 29 29 X A T < - 0 0 0 -3,-2.0 58,-2.9 1,-0.3 59,-0.4 0.758 65.2 -51.1 52.1 38.6 -14.8 19.3 -14.3 30 30 X G T > S+ 0 0 0 206,-0.4 3,-1.9 1,-0.2 -1,-0.3 0.675 85.1 167.7 75.7 14.4 -17.7 21.4 -13.1 31 31 X Q T < + 0 0 117 -3,-2.2 -1,-0.2 1,-0.2 57,-0.2 -0.406 66.7 22.5 -60.7 137.1 -16.5 24.5 -15.0 32 32 X G T 3 S+ 0 0 26 55,-0.5 93,-2.9 1,-0.4 94,-0.6 0.440 104.7 104.3 83.8 -0.9 -19.2 27.2 -15.1 33 33 X S E < -b 126 0B 0 -3,-1.9 56,-1.7 92,-0.2 -1,-0.4 -0.621 57.7-145.9-101.7 167.1 -20.9 25.8 -12.0 34 34 X a E -bc 127 89B 0 92,-1.9 94,-2.3 -2,-0.2 2,-0.4 -0.997 7.1-164.7-132.4 145.1 -20.8 27.1 -8.4 35 35 X V E -bc 128 90B 0 54,-3.0 56,-2.3 -2,-0.4 2,-0.5 -0.988 8.1-153.5-130.5 125.2 -20.8 25.4 -5.1 36 36 X Y E -bc 129 91B 0 92,-3.0 94,-3.2 -2,-0.4 2,-0.6 -0.815 5.8-157.1 -90.8 132.9 -21.6 27.1 -1.8 37 37 X V E -bc 130 92B 1 54,-2.5 56,-2.3 -2,-0.5 2,-0.8 -0.947 5.2-163.2-112.9 110.6 -20.0 25.5 1.2 38 38 X I E + c 0 93B 0 92,-2.2 94,-0.5 -2,-0.6 56,-0.2 -0.853 51.5 84.6-101.7 105.9 -22.0 26.6 4.3 39 39 X D E S- c 0 94B 0 54,-2.1 57,-2.2 -2,-0.8 56,-1.4 -0.572 97.1 -31.3-170.0-146.6 -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,-0.2 0.363 98.0 -97.0 -86.0 4.0 -16.8 27.2 9.2 41 41 X G - 0 0 0 52,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.635 37.7 -89.8 111.3-171.2 -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 -0.986 17.9-130.3-143.5 132.1 -12.9 28.3 3.5 43 43 X E > - 0 0 42 -2,-0.3 3,-1.9 1,-0.2 6,-0.1 -0.641 31.2-176.3 -78.2 87.7 -9.2 29.1 3.5 44 44 X A T 3 S+ 0 0 31 -2,-1.8 7,-0.5 1,-0.3 9,-0.4 0.727 73.3 65.2 -61.9 -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 0.511 70.5 122.3 -77.9 -5.9 -5.7 31.2 -0.2 46 46 X H X> - 0 0 10 -3,-1.9 3,-2.6 1,-0.2 4,-0.6 -0.385 69.9-130.7 -57.0 128.2 -4.9 27.5 -0.1 47 47 X P G >4 S+ 0 0 88 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.814 104.0 69.8 -49.0 -30.6 -2.9 26.6 -3.2 48 48 X E G 34 S+ 0 0 14 1,-0.2 32,-2.3 2,-0.1 33,-0.1 0.641 93.8 53.9 -65.3 -16.7 -5.3 23.8 -3.8 49 49 X F G X4 S- 0 0 0 -3,-2.6 3,-2.5 30,-0.2 -1,-0.2 0.651 88.8-152.4 -98.1 -15.9 -8.1 26.2 -4.6 50 50 X E T << - 0 0 106 -3,-0.9 -2,-0.1 -4,-0.6 -5,-0.1 0.708 67.5 -55.0 62.1 23.3 -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 0.436 117.7 108.5 89.1 -1.9 -8.1 31.3 -7.0 52 52 X R < + 0 0 23 -3,-2.5 38,-2.7 26,-0.1 2,-0.3 0.453 61.8 78.7 -87.7 -3.0 -11.4 29.5 -7.5 53 53 X A E +d 90 0B 8 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.845 53.0 169.7-109.5 146.9 -12.5 29.9 -3.9 54 54 X Q E -d 91 0B 102 36,-1.7 38,-3.1 -2,-0.3 2,-0.5 -0.989 33.2-127.0-150.5 140.1 -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 -0.812 30.3 170.2 -80.5 129.8 -15.6 33.9 1.1 56 56 X V E + 0 0 30 36,-2.6 2,-0.3 -2,-0.5 37,-0.2 0.572 59.6 15.9-114.2 -16.1 -18.8 35.7 0.4 57 57 X K E +d 93 0B 75 35,-1.5 37,-2.8 6,-0.1 -1,-0.3 -0.988 50.7 174.8-158.9 142.5 -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 -0.980 20.5-159.6-142.6 158.2 -19.8 35.4 7.6 59 59 X Y S S+ 0 0 65 35,-1.4 2,-0.2 -2,-0.3 36,-0.1 0.187 77.5 71.1-115.2 11.2 -22.0 36.0 10.7 60 60 X Y S S- 0 0 28 2,-0.3 -2,-0.1 34,-0.2 34,-0.1 -0.648 102.5 -88.0-122.8 176.8 -18.9 36.3 12.9 61 61 X Y S S+ 0 0 220 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.714 111.6 27.5 -66.7 -18.9 -16.1 38.7 13.5 62 62 X S - 0 0 57 2,-0.1 -2,-0.3 1,-0.1 -3,-0.2 -0.965 60.2-146.6-136.8 157.3 -14.1 37.1 10.8 63 63 X S + 0 0 48 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.453 67.8 115.0 -93.2 -5.2 -14.7 35.2 7.6 64 64 X R S S- 0 0 65 -23,-0.1 2,-1.0 1,-0.1 -2,-0.1 -0.340 74.5-119.4 -64.7 142.9 -11.6 33.2 8.1 65 65 X D + 0 0 10 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.769 36.3 172.1 -78.8 102.5 -11.8 29.4 8.7 66 66 X G S S+ 0 0 39 -2,-1.0 -1,-0.2 -26,-0.4 -25,-0.1 0.292 74.3 46.5 -93.2 8.6 -10.3 29.1 12.2 67 67 X N S S- 0 0 47 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.773 89.1-135.6-112.5 -55.0 -11.3 25.5 12.4 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.6 -28,-0.1 5,-0.2 -0.052 77.3 100.7 117.3 -32.8 -10.5 23.6 9.2 69 69 X H H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 85.3 46.4 -54.2 -48.7 -13.8 21.7 8.8 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.885 112.7 50.1 -63.8 -37.4 -15.2 24.1 6.1 71 71 X T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 140,-0.4 0.877 109.6 51.3 -68.4 -39.1 -11.9 24.1 4.2 72 72 X H H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 139,-0.4 0.940 112.1 46.6 -60.0 -47.9 -11.8 20.3 4.3 73 73 X C H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.4 0.953 112.1 49.3 -62.0 -49.5 -15.3 20.1 2.9 74 74 X A H X S+ 0 0 0 -4,-2.8 4,-2.6 -33,-0.2 5,-0.3 0.858 107.2 57.4 -54.9 -37.7 -14.6 22.7 0.2 75 75 X G H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.884 105.6 49.1 -63.3 -38.4 -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 0.858 111.8 50.0 -70.9 -34.8 -13.6 17.6 -1.4 77 77 X V H < S- 0 0 0 -4,-1.9 8,-3.0 6,-0.2 -2,-0.2 0.967 138.3 -15.9 -62.7 -54.3 -16.1 19.7 -3.5 78 78 X G H < S+ 0 0 0 -4,-2.6 -3,-0.2 5,-0.2 -2,-0.2 0.217 80.4 135.2-152.2 22.9 -13.5 21.3 -5.8 79 79 X S X - 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 -30,-0.2 -0.435 61.2-116.8 -67.5 154.8 -9.8 21.4 -4.8 80 80 X R T 4 S+ 0 0 96 -32,-2.3 -1,-0.1 1,-0.2 6,-0.1 0.917 109.7 23.2 -60.9 -44.4 -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 0.881 135.9 29.9 -89.0 -39.5 -6.1 17.3 -5.9 82 82 X Y T 4 S+ 0 0 36 -34,-0.1 2,-0.2 -76,-0.1 -2,-0.2 0.410 98.0 103.3-107.6 3.4 -8.8 16.3 -3.5 83 83 X G < - 0 0 0 -4,-1.6 3,-0.3 1,-0.1 -6,-0.2 -0.607 57.1-151.4 -98.5 148.6 -11.9 17.6 -5.3 84 84 X V S S+ 0 0 0 -8,-2.3 2,-0.8 -2,-0.2 -6,-0.2 0.884 100.4 38.6 -72.2 -43.9 -14.7 16.0 -7.3 85 85 X A S > S- 0 0 0 -8,-3.0 3,-1.6 -9,-0.2 -1,-0.2 -0.786 73.3-178.1-114.3 85.1 -15.4 19.1 -9.5 86 86 X K T 3 S+ 0 0 11 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.527 78.4 41.9 -73.2 -7.0 -11.9 20.5 -10.0 87 87 X K T 3 S+ 0 0 80 -58,-2.9 -55,-0.5 2,-0.1 -1,-0.3 0.296 85.9 117.4-119.8 9.5 -13.0 23.5 -12.0 88 88 X T < - 0 0 0 -3,-1.6 2,-0.5 -59,-0.4 -54,-0.2 -0.253 67.3-114.7 -70.3 161.6 -16.0 24.7 -10.0 89 89 X Q E -c 34 0B 71 -56,-1.7 -54,-3.0 -59,-0.3 2,-0.4 -0.883 30.8-149.9 -96.2 132.3 -16.2 28.1 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.7 -36,-1.7 -2,-0.5 2,-0.5 -0.907 11.4-169.2-109.8 132.3 -16.4 27.8 -4.5 91 91 X F E -cd 36 54B 8 -56,-2.3 -54,-2.5 -2,-0.4 2,-0.4 -0.980 12.2-146.7-123.7 123.3 -18.2 30.3 -2.3 92 92 X G E -cd 37 55B 0 -38,-3.1 -36,-2.6 -2,-0.5 -35,-1.5 -0.722 12.9-174.5 -97.3 132.9 -17.8 30.1 1.5 93 93 X V E -cd 38 57B 0 -56,-2.3 -54,-2.1 -2,-0.4 2,-1.3 -0.966 17.0-148.2-124.5 111.1 -20.6 31.1 3.9 94 94 X K E +cd 39 58B 5 -37,-2.8 -35,-1.4 -2,-0.5 -34,-0.2 -0.659 41.7 143.4 -89.6 90.5 -19.4 31.0 7.5 95 95 X V + 0 0 0 -56,-1.4 2,-0.4 -2,-1.3 -1,-0.2 0.511 61.6 68.7 -96.5 -10.4 -22.5 30.0 9.6 96 96 X L S S- 0 0 11 -57,-2.2 6,-0.2 -3,-0.2 -57,-0.1 -0.914 80.3-130.9-111.7 137.6 -20.3 28.0 12.1 97 97 X D > - 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