==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAY-08 3D9Q . 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) . 10175.0 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 . 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 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 X A 0 0 26 0, 0.0 24,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 150.2 -9.4 12.6 -17.6 2 2 X A E -A 24 0A 63 22,-0.2 2,-0.6 277,-0.0 22,-0.2 -0.999 360.0-166.6-133.6 131.8 -7.6 10.4 -15.1 3 3 X Q E > -A 23 0A 29 20,-2.5 20,-2.5 -2,-0.4 3,-0.6 -0.951 21.3-146.6-116.9 109.2 -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 -0.386 75.9 16.3 -76.8 154.6 -3.8 8.5 -10.5 5 5 X N T 3 S+ 0 0 137 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.877 87.4 169.1 50.5 45.6 -3.4 7.8 -6.8 6 6 X A < - 0 0 9 15,-2.6 -1,-0.1 -3,-0.6 76,-0.1 -0.391 48.5 -78.7 -77.7 160.4 -6.5 9.9 -6.0 7 7 X P >> - 0 0 20 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.334 50.0-112.0 -53.8 146.6 -8.1 9.8 -2.5 8 8 X W H 3> S+ 0 0 22 1,-0.3 4,-2.8 199,-0.2 12,-0.1 0.843 114.7 59.3 -55.8 -37.4 -10.1 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 0.876 105.1 48.0 -59.1 -42.7 -13.4 8.5 -2.3 10 10 X L H <> S+ 0 0 0 -3,-0.8 4,-0.8 2,-0.2 14,-0.3 0.932 113.1 47.9 -64.5 -45.8 -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 0.916 110.7 53.8 -59.2 -40.0 -11.8 6.8 -7.1 12 12 X R H >< S+ 0 0 4 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.891 101.9 56.4 -64.0 -41.0 -14.9 5.3 -5.6 13 13 X I H 3< S+ 0 0 0 -4,-2.0 262,-3.2 1,-0.3 263,-0.3 0.664 112.8 42.3 -67.9 -16.4 -17.3 7.9 -7.1 14 14 X S T << S+ 0 0 8 -3,-0.9 2,-0.4 -4,-0.8 -1,-0.3 0.166 105.0 83.8-113.4 20.4 -16.0 7.0 -10.6 15 15 X S < - 0 0 13 -3,-1.6 242,-0.1 1,-0.1 261,-0.1 -0.924 61.9-150.9-127.6 147.0 -15.9 3.3 -10.2 16 16 X T S S+ 0 0 94 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.511 92.0 39.3 -82.1 -7.5 -18.3 0.3 -10.4 17 17 X S S S- 0 0 54 -5,-0.0 3,-0.4 240,-0.0 -3,-0.1 -0.985 82.1-118.1-141.9 149.1 -16.2 -1.5 -7.8 18 18 X P S S+ 0 0 55 0, 0.0 168,-0.1 0, 0.0 3,-0.1 -0.311 84.8 59.6 -74.7 170.9 -14.3 -0.6 -4.6 19 19 X G S S+ 0 0 81 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.553 73.8 116.2 91.8 10.6 -10.6 -1.1 -4.3 20 20 X T - 0 0 59 -3,-0.4 -1,-0.3 -12,-0.1 -9,-0.1 -0.738 46.5-159.5-109.1 163.5 -9.3 1.2 -7.1 21 21 X S + 0 0 61 -2,-0.3 -15,-2.6 -10,-0.1 2,-0.5 0.297 59.1 91.7-126.8 6.1 -7.2 4.4 -6.8 22 22 X T - 0 0 23 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.915 61.1-144.4-108.8 133.3 -7.6 6.4 -10.0 23 23 X Y E -A 3 0A 0 -20,-2.5 -20,-2.5 -2,-0.5 2,-0.5 -0.837 14.9-163.8 -96.1 124.3 -10.3 9.1 -10.3 24 24 X Y E +A 2 0A 92 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.931 21.1 149.6-111.2 130.7 -11.9 9.3 -13.8 25 25 X Y - 0 0 31 -24,-1.7 2,-0.2 -2,-0.5 -11,-0.0 -0.995 50.7 -91.1-156.3 152.8 -13.9 12.4 -14.8 26 26 X D > - 0 0 51 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.469 40.6-123.2 -65.4 137.2 -14.9 14.5 -17.8 27 27 X E T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.679 104.7 78.7 -61.9 -19.8 -12.3 17.3 -18.2 28 28 X S T > S- 0 0 35 1,-0.1 3,-2.6 2,-0.1 -1,-0.3 0.851 75.4-175.6 -57.8 -35.1 -15.1 19.9 -18.0 29 29 X A T < - 0 0 0 -3,-2.0 58,-2.7 1,-0.3 59,-0.3 0.743 65.8 -51.5 52.3 39.3 -14.8 19.2 -14.3 30 30 X G T > S+ 0 0 0 206,-0.4 3,-2.0 1,-0.2 -1,-0.3 0.629 84.5 168.0 71.9 13.2 -17.7 21.5 -13.1 31 31 X Q T < + 0 0 119 -3,-2.6 -1,-0.2 1,-0.2 57,-0.2 -0.359 66.8 23.2 -55.7 135.2 -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 0.438 104.0 102.3 86.1 -0.3 -19.2 27.2 -15.0 33 33 X S E < -b 126 0B 0 -3,-2.0 56,-1.7 92,-0.2 -1,-0.4 -0.663 58.7-144.4-104.3 169.4 -21.0 25.9 -12.0 34 34 X a E -bc 127 89B 0 92,-2.0 94,-2.3 -2,-0.2 2,-0.4 -0.995 7.3-164.0-133.5 143.7 -20.8 27.2 -8.4 35 35 X V E -bc 128 90B 0 54,-2.8 56,-2.3 -2,-0.4 2,-0.4 -0.987 8.5-152.6-129.1 123.1 -20.9 25.4 -5.1 36 36 X Y E -bc 129 91B 0 92,-3.0 94,-3.1 -2,-0.4 2,-0.6 -0.776 5.8-157.4 -86.5 133.1 -21.6 27.2 -1.8 37 37 X V E -bc 130 92B 0 54,-2.6 56,-2.2 -2,-0.4 2,-0.8 -0.952 6.0-163.4-115.0 108.1 -20.0 25.6 1.2 38 38 X I E + c 0 93B 0 92,-2.2 94,-0.4 -2,-0.6 56,-0.2 -0.846 51.0 83.8-100.4 105.7 -22.0 26.6 4.2 39 39 X D E S- c 0 94B 0 54,-2.2 57,-2.3 -2,-0.8 56,-1.4 -0.594 97.2 -30.1-169.8-146.1 -19.8 25.9 7.1 40 40 X T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.3 0.363 98.4 -97.0 -84.4 3.5 -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 -0.621 37.5 -89.6 111.5-172.1 -15.6 29.1 6.1 42 42 X I - 0 0 3 21,-0.5 2,-1.9 -2,-0.2 3,-0.1 -0.988 18.4-130.4-142.5 131.5 -12.9 28.3 3.5 43 43 X E > - 0 0 42 -2,-0.3 3,-2.0 1,-0.2 6,-0.2 -0.631 31.5-176.6 -77.7 86.7 -9.2 29.1 3.5 44 44 X A T 3 S+ 0 0 31 -2,-1.9 7,-0.5 1,-0.3 9,-0.4 0.720 72.7 65.2 -61.8 -24.5 -9.5 30.6 -0.0 45 45 X S T 3 S+ 0 0 102 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.528 70.4 122.0 -76.7 -6.7 -5.7 31.2 -0.2 46 46 X H S X> S- 0 0 10 -3,-2.0 3,-2.4 1,-0.2 4,-0.6 -0.375 70.0-130.7 -58.6 128.9 -4.9 27.5 -0.1 47 47 X P G >4 S+ 0 0 90 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.810 104.0 70.1 -50.0 -30.4 -2.9 26.7 -3.2 48 48 X E G 34 S+ 0 0 14 1,-0.2 32,-2.5 2,-0.1 33,-0.1 0.702 94.2 54.0 -62.9 -20.6 -5.3 23.8 -3.8 49 49 X F G X4 S- 0 0 0 -3,-2.4 3,-2.4 30,-0.2 -1,-0.2 0.654 89.2-151.8 -92.0 -18.1 -8.1 26.2 -4.6 50 50 X E T << - 0 0 108 -3,-1.0 -2,-0.1 -4,-0.6 -5,-0.1 0.718 67.6 -55.5 63.9 24.3 -6.2 28.0 -7.4 51 51 X G T 3 S+ 0 0 69 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.478 117.5 108.8 83.7 2.7 -8.0 31.3 -7.0 52 52 X R < + 0 0 24 -3,-2.4 38,-2.7 -8,-0.1 2,-0.3 0.459 61.7 78.5 -90.0 -3.2 -11.4 29.6 -7.5 53 53 X A E +d 90 0B 7 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.817 53.6 169.8-108.2 149.4 -12.5 29.9 -3.9 54 54 X Q E -d 91 0B 98 36,-1.5 38,-3.0 -2,-0.3 2,-0.5 -0.976 33.6-126.6-155.6 136.8 -13.9 33.0 -2.1 55 55 X M E +d 92 0B 42 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.783 30.4 170.8 -79.9 129.6 -15.6 33.9 1.2 56 56 X V E + 0 0 27 36,-2.6 2,-0.3 -2,-0.5 37,-0.2 0.548 59.4 15.3-114.0 -14.9 -18.8 35.7 0.4 57 57 X K E +d 93 0B 75 35,-1.4 37,-2.8 6,-0.1 -1,-0.3 -0.979 51.1 175.3-161.2 143.6 -20.4 35.9 3.8 58 58 X T E -d 94 0B 37 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.983 20.7-159.6-145.3 155.8 -19.9 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 0.210 77.3 69.9-114.2 10.5 -22.0 36.0 10.7 60 60 X Y S S- 0 0 31 2,-0.3 -2,-0.1 34,-0.2 34,-0.1 -0.608 102.6 -86.5-122.4 179.9 -18.9 36.3 12.9 61 61 X Y S S+ 0 0 223 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.682 111.5 26.4 -70.9 -15.3 -16.1 38.8 13.5 62 62 X S - 0 0 57 2,-0.1 -2,-0.3 1,-0.1 -3,-0.2 -0.976 60.5-145.3-141.2 156.9 -14.1 37.2 10.7 63 63 X S + 0 0 51 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.469 67.2 115.5 -93.5 -4.5 -14.7 35.3 7.6 64 64 X R S S- 0 0 66 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.334 73.8-119.5 -66.1 143.9 -11.5 33.2 8.1 65 65 X D + 0 0 9 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.764 37.2 170.9 -80.8 101.8 -11.8 29.5 8.7 66 66 X G S S+ 0 0 39 -2,-1.1 -1,-0.2 -26,-0.4 -25,-0.1 0.311 73.9 47.8 -94.3 8.7 -10.2 29.1 12.1 67 67 X N S S- 0 0 45 -27,-0.3 146,-0.1 30,-0.0 -1,-0.1 0.787 88.7-137.3-110.7 -54.4 -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 77.4 99.2 116.1 -32.8 -10.5 23.6 9.2 69 69 X H H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 85.6 47.4 -55.9 -46.9 -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 0.893 112.5 50.2 -61.5 -39.3 -15.2 24.1 6.1 71 71 X T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 140,-0.3 0.875 109.2 51.8 -68.4 -38.5 -11.9 24.1 4.3 72 72 X H H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 139,-0.4 0.946 111.7 46.1 -59.2 -50.8 -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,-0.3 0.930 112.0 50.1 -61.1 -47.7 -15.4 20.1 2.8 74 74 X A H X S+ 0 0 0 -4,-2.6 4,-2.6 -33,-0.2 5,-0.3 0.871 107.2 57.1 -56.9 -37.7 -14.7 22.7 0.2 75 75 X G H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.879 106.2 48.4 -62.4 -38.2 -11.6 20.7 -0.7 76 76 X T H < S+ 0 0 0 -4,-1.7 8,-2.2 -3,-0.3 -1,-0.2 0.850 112.4 49.7 -73.0 -34.2 -13.7 17.7 -1.4 77 77 X V H < S- 0 0 0 -4,-1.9 8,-3.0 6,-0.2 -2,-0.2 0.966 138.4 -16.1 -62.0 -53.9 -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 0.207 80.3 134.5-153.0 21.5 -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 -0.463 61.9-116.5 -69.4 153.8 -9.8 21.4 -4.7 80 80 X R T 4 S+ 0 0 102 -32,-2.5 -1,-0.1 1,-0.2 6,-0.1 0.906 109.2 22.8 -59.6 -42.6 -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 0.859 135.1 31.6 -92.4 -37.6 -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 0.423 98.5 100.8-106.7 2.8 -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 -0.603 57.8-150.4-102.2 150.4 -12.0 17.6 -5.2 84 84 X V S S+ 0 0 0 -8,-2.2 2,-0.8 1,-0.2 -6,-0.2 0.898 100.5 39.0 -72.8 -46.4 -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 -0.803 73.5-177.2-110.6 86.6 -15.4 19.1 -9.4 86 86 X K T 3 S+ 0 0 11 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.512 78.2 41.5 -74.1 -5.4 -11.9 20.5 -10.0 87 87 X K T 3 S+ 0 0 78 -58,-2.7 -55,-0.5 2,-0.1 -1,-0.3 0.237 85.7 119.2-122.3 12.0 -13.0 23.6 -12.0 88 88 X T < - 0 0 0 -3,-1.6 2,-0.5 -59,-0.3 -54,-0.2 -0.268 66.7-114.5 -72.5 163.0 -16.0 24.7 -10.0 89 89 X Q E -c 34 0B 70 -56,-1.7 -54,-2.8 -59,-0.3 2,-0.4 -0.903 31.0-150.0 -97.5 131.2 -16.2 28.1 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.7 -36,-1.5 -2,-0.5 2,-0.5 -0.886 11.3-168.9-109.0 129.7 -16.4 27.8 -4.5 91 91 X F E -cd 36 54B 9 -56,-2.3 -54,-2.6 -2,-0.4 2,-0.4 -0.975 11.8-147.2-121.0 122.5 -18.2 30.3 -2.3 92 92 X G E -cd 37 55B 0 -38,-3.0 -36,-2.6 -2,-0.5 -35,-1.4 -0.716 13.0-175.0 -93.0 134.2 -17.8 30.2 1.5 93 93 X V E -cd 38 57B 0 -56,-2.2 -54,-2.2 -2,-0.4 2,-1.3 -0.968 17.4-148.1-126.4 110.1 -20.6 31.1 3.9 94 94 X K E +cd 39 58B 5 -37,-2.8 -35,-1.5 -2,-0.5 -54,-0.2 -0.649 42.0 143.2 -89.2 92.1 -19.5 31.1 7.5 95 95 X V + 0 0 0 -56,-1.4 2,-0.4 -2,-1.3 -1,-0.2 0.553 61.3 68.6 -98.5 -12.5 -22.5 30.1 9.6 96 96 X L S S- 0 0 10 -57,-2.3 6,-0.2 -3,-0.2 -57,-0.1 -0.892 80.2-130.6-110.1 137.3 -20.3 28.0 12.0 97 97 X D > - 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