==== 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 3DE5 . 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) . 10229.0 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 . 20 7.2 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 . 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 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 31 0, 0.0 24,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.1 -9.4 12.7 -17.7 2 2 X A E -A 24 0A 64 22,-0.2 2,-0.7 277,-0.0 22,-0.2 -0.970 360.0-165.4-143.7 117.6 -7.6 10.5 -15.1 3 3 X Q E > -A 23 0A 32 20,-3.1 20,-2.7 -2,-0.4 3,-0.5 -0.913 21.7-148.5-104.2 112.0 -6.1 11.5 -11.8 4 4 X T T 3 S+ 0 0 100 -2,-0.7 18,-0.2 18,-0.2 -2,-0.0 -0.408 75.1 17.1 -80.0 157.9 -3.8 8.7 -10.6 5 5 X N T 3 S+ 0 0 140 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.889 88.2 169.4 47.8 49.2 -3.4 7.9 -6.9 6 6 X A < - 0 0 8 15,-3.0 -1,-0.1 -3,-0.5 76,-0.1 -0.442 47.6 -79.1 -82.9 160.6 -6.4 9.9 -6.1 7 7 X P >> - 0 0 19 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.310 50.0-112.0 -52.8 145.7 -8.0 9.9 -2.6 8 8 X W H 3> S+ 0 0 26 1,-0.2 4,-2.7 199,-0.2 5,-0.2 0.831 114.7 58.4 -55.9 -34.2 -10.1 6.7 -2.3 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.873 105.5 47.8 -66.1 -41.0 -13.4 8.6 -2.3 10 10 X L H <> S+ 0 0 1 -3,-0.7 4,-1.1 2,-0.2 14,-0.3 0.935 114.1 47.5 -62.2 -48.5 -12.8 10.3 -5.7 11 11 X A H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.932 111.0 51.9 -57.7 -45.6 -11.8 6.9 -7.2 12 12 X R H >< S+ 0 0 5 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.849 103.3 58.3 -59.5 -38.1 -14.9 5.3 -5.7 13 13 X I H 3< S+ 0 0 0 -4,-1.7 262,-2.4 1,-0.3 263,-0.3 0.731 111.7 40.9 -69.4 -24.1 -17.2 8.0 -7.2 14 14 X S T << S+ 0 0 8 -4,-1.1 2,-0.4 -3,-0.8 -1,-0.3 0.147 106.1 83.8-108.7 20.5 -16.0 7.1 -10.7 15 15 X S < - 0 0 12 -3,-1.4 242,-0.1 -5,-0.1 261,-0.1 -0.937 63.1-149.6-127.7 145.4 -15.9 3.4 -10.3 16 16 X T S S+ 0 0 91 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.538 91.7 37.0 -77.5 -9.7 -18.4 0.4 -10.5 17 17 X S S S- 0 0 53 -5,-0.0 3,-0.4 240,-0.0 -1,-0.1 -0.991 83.2-113.3-146.2 151.0 -16.3 -1.4 -7.8 18 18 X P S S+ 0 0 58 0, 0.0 168,-0.1 0, 0.0 -2,-0.1 -0.162 84.2 57.2 -71.8 173.8 -14.3 -0.6 -4.7 19 19 X G S S+ 0 0 82 166,-0.5 2,-0.2 1,-0.3 167,-0.0 0.578 74.5 112.5 85.7 12.1 -10.6 -1.0 -4.4 20 20 X T - 0 0 64 -3,-0.4 -1,-0.3 -12,-0.2 -8,-0.1 -0.742 47.0-159.0-112.4 165.0 -9.2 1.2 -7.2 21 21 X S + 0 0 57 -2,-0.2 -15,-3.0 -10,-0.1 2,-0.5 0.230 57.7 93.9-132.9 13.2 -7.2 4.5 -6.9 22 22 X T - 0 0 25 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.953 60.6-144.7-108.3 131.6 -7.6 6.5 -10.1 23 23 X Y E -A 3 0A 0 -20,-2.7 -20,-3.1 -2,-0.5 2,-0.4 -0.858 15.0-165.0 -94.6 125.3 -10.3 9.1 -10.4 24 24 X Y E +A 2 0A 92 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.918 20.3 150.3-110.6 134.2 -11.9 9.4 -14.0 25 25 X Y - 0 0 33 -24,-1.6 2,-0.2 -2,-0.4 251,-0.0 -0.994 51.3 -90.5-158.1 152.7 -14.0 12.5 -14.9 26 26 X D > - 0 0 47 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.527 40.6-124.2 -65.5 135.3 -14.9 14.5 -17.9 27 27 X E T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.674 103.6 80.0 -57.5 -21.3 -12.4 17.4 -18.3 28 28 X S T > S- 0 0 33 1,-0.1 3,-2.4 2,-0.1 -1,-0.3 0.894 76.7-175.6 -53.1 -38.7 -15.2 20.1 -18.2 29 29 X A T < - 0 0 1 -3,-1.9 58,-2.5 1,-0.3 59,-0.4 0.745 65.1 -49.3 57.9 36.1 -14.8 19.3 -14.5 30 30 X G T > S+ 0 0 0 206,-0.4 3,-1.9 1,-0.2 -1,-0.3 0.557 85.6 169.8 78.6 6.9 -17.7 21.5 -13.2 31 31 X Q T < + 0 0 115 -3,-2.4 -1,-0.2 1,-0.3 57,-0.2 -0.282 66.4 20.1 -55.2 132.4 -16.6 24.6 -15.2 32 32 X G T 3 S+ 0 0 27 55,-0.5 93,-2.6 1,-0.4 94,-0.6 0.485 103.4 107.0 83.6 6.5 -19.2 27.3 -15.1 33 33 X S E < -b 126 0B 0 -3,-1.9 56,-2.0 92,-0.2 -1,-0.4 -0.703 56.5-145.5-105.5 167.1 -20.9 25.9 -12.0 34 34 X a E -bc 127 89B 0 92,-1.8 94,-2.4 -2,-0.2 2,-0.4 -0.992 6.7-163.1-130.4 144.5 -20.8 27.4 -8.4 35 35 X V E -bc 128 90B 0 54,-3.1 56,-2.8 -2,-0.3 2,-0.5 -0.986 7.2-153.4-129.4 124.5 -20.8 25.6 -5.0 36 36 X Y E -bc 129 91B 0 92,-2.7 94,-2.7 -2,-0.4 2,-0.6 -0.809 6.6-157.3 -88.9 128.2 -21.6 27.3 -1.7 37 37 X V E -bc 130 92B 1 54,-2.7 56,-2.5 -2,-0.5 2,-0.8 -0.932 6.1-164.2-106.4 112.7 -20.0 25.6 1.2 38 38 X I E +bc 131 93B 0 92,-2.1 94,-0.6 -2,-0.6 56,-0.2 -0.867 51.7 80.3-105.3 103.0 -22.0 26.6 4.4 39 39 X D E S- c 0 94B 2 54,-2.1 57,-2.2 -2,-0.8 56,-1.4 -0.534 99.9 -27.3-170.5-141.2 -19.8 25.8 7.3 40 40 X T S S- 0 0 1 1,-0.4 26,-0.4 54,-0.2 27,-0.2 0.340 97.6 -98.9 -88.0 7.2 -16.9 27.2 9.3 41 41 X G - 0 0 0 52,-0.4 2,-0.4 24,-0.1 -1,-0.4 -0.545 38.3 -87.7 105.7-177.4 -15.7 29.2 6.2 42 42 X I - 0 0 2 21,-0.5 2,-1.8 -2,-0.2 3,-0.1 -0.992 17.8-129.5-136.6 132.5 -12.9 28.4 3.6 43 43 X E > - 0 0 42 -2,-0.4 3,-1.7 1,-0.2 6,-0.1 -0.603 31.5-175.0 -77.4 87.9 -9.2 29.2 3.6 44 44 X A T 3 S+ 0 0 35 -2,-1.8 7,-0.5 1,-0.3 9,-0.4 0.731 73.4 64.9 -55.1 -29.4 -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 0.518 69.1 121.8 -77.9 -7.7 -5.6 31.3 -0.1 46 46 X H X> - 0 0 11 -3,-1.7 3,-2.1 1,-0.2 4,-0.6 -0.362 68.6-132.1 -57.2 127.8 -4.9 27.5 -0.0 47 47 X P G >4 S+ 0 0 83 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.819 102.1 70.5 -53.9 -29.0 -2.9 26.8 -3.2 48 48 X E G 34 S+ 0 0 12 1,-0.3 32,-2.4 2,-0.1 33,-0.2 0.685 94.5 53.3 -62.9 -18.0 -5.2 23.8 -3.9 49 49 X F G X4 S- 0 0 0 -3,-2.1 3,-2.6 30,-0.2 -1,-0.3 0.603 91.0-154.3 -94.3 -15.6 -8.1 26.2 -4.7 50 50 X E T << - 0 0 103 -3,-1.1 -2,-0.1 -4,-0.6 -5,-0.1 0.745 66.3 -50.2 60.2 31.6 -6.1 28.0 -7.3 51 51 X G T 3 S+ 0 0 71 -7,-0.5 -1,-0.3 -5,-0.3 -6,-0.1 0.396 118.4 104.9 86.2 -6.6 -8.0 31.3 -7.1 52 52 X R < + 0 0 23 -3,-2.6 38,-2.8 -8,-0.1 2,-0.4 0.518 61.8 80.7 -91.2 -2.0 -11.4 29.7 -7.5 53 53 X A E +d 90 0B 8 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.857 51.7 170.6-107.6 146.4 -12.5 30.0 -3.8 54 54 X Q E -d 91 0B 95 36,-1.8 38,-2.5 -2,-0.4 2,-0.5 -0.992 32.0-129.4-147.3 142.3 -13.9 33.1 -2.2 55 55 X M E +d 92 0B 42 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.814 29.3 171.1 -85.0 128.4 -15.5 33.9 1.2 56 56 X V E + 0 0 28 36,-2.6 2,-0.3 -2,-0.5 37,-0.2 0.584 58.6 17.3-113.7 -13.8 -18.8 35.7 0.5 57 57 X K E +d 93 0B 75 35,-1.5 37,-3.0 6,-0.1 2,-0.3 -0.955 49.9 175.2-160.9 136.1 -20.4 35.8 3.9 58 58 X T E -d 94 0B 38 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.992 19.3-161.2-135.3 152.1 -19.7 35.5 7.6 59 59 X Y S S+ 0 0 66 35,-1.8 2,-0.2 -2,-0.3 36,-0.1 0.240 77.2 67.9-105.7 9.5 -21.9 36.0 10.7 60 60 X Y S S- 0 0 26 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.634 102.5 -85.2-121.8 179.8 -18.9 36.4 13.0 61 61 X Y S S+ 0 0 212 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.743 112.1 29.4 -61.7 -25.7 -15.9 38.7 13.6 62 62 X S - 0 0 53 2,-0.1 -2,-0.4 1,-0.1 -3,-0.1 -0.947 59.6-149.4-134.4 157.9 -13.9 37.1 10.9 63 63 X S + 0 0 50 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.434 68.4 111.4 -98.0 -0.7 -14.6 35.3 7.6 64 64 X R S S- 0 0 67 -23,-0.1 2,-0.9 1,-0.1 -2,-0.1 -0.384 77.3-114.7 -75.5 148.7 -11.6 33.2 8.0 65 65 X D + 0 0 9 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.746 38.0 170.2 -83.2 108.1 -11.8 29.5 8.7 66 66 X G S S+ 0 0 39 -2,-0.9 -1,-0.2 -26,-0.4 -25,-0.1 0.308 75.2 46.1-101.3 6.4 -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 0.774 89.5-135.8-114.3 -56.3 -11.4 25.5 12.4 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.2 -28,-0.1 5,-0.2 -0.050 77.0 101.1 118.8 -31.2 -10.5 23.7 9.2 69 69 X H H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.935 83.6 45.1 -56.6 -48.0 -13.8 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 0.880 113.1 52.4 -66.9 -31.1 -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 0.866 107.7 50.7 -70.2 -34.4 -12.0 24.2 4.3 72 72 X H H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 139,-0.4 0.934 112.0 47.7 -67.8 -46.4 -11.8 20.4 4.2 73 73 X C H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-0.3 0.927 110.2 51.6 -56.9 -49.5 -15.3 20.2 2.8 74 74 X A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.836 107.1 55.0 -55.2 -36.9 -14.5 22.9 0.2 75 75 X G H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.852 106.5 50.1 -69.3 -36.4 -11.5 20.8 -0.9 76 76 X T H < S+ 0 0 2 -4,-1.7 8,-2.4 -3,-0.3 9,-0.2 0.853 112.6 48.3 -71.4 -33.4 -13.6 17.7 -1.5 77 77 X V H < S- 0 0 0 -4,-1.8 8,-3.2 6,-0.2 -2,-0.2 0.974 139.1 -15.3 -64.0 -54.9 -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 0.286 80.3 131.7-149.6 17.6 -13.4 21.4 -5.8 79 79 X S X - 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -30,-0.2 -0.433 62.7-117.5 -67.4 152.7 -9.7 21.5 -4.8 80 80 X R T 4 S+ 0 0 99 -32,-2.4 -1,-0.1 1,-0.2 6,-0.1 0.878 109.8 27.8 -60.9 -38.0 -7.4 20.5 -7.7 81 81 X T T 4 S+ 0 0 40 -33,-0.2 -1,-0.2 1,-0.1 5,-0.0 0.868 134.4 26.8 -91.0 -36.7 -6.1 17.4 -5.9 82 82 X Y T 4 S+ 0 0 37 -7,-0.1 2,-0.3 -34,-0.1 -2,-0.2 0.391 99.0 102.6-111.2 -0.7 -8.9 16.4 -3.5 83 83 X G < - 0 0 0 -4,-1.8 3,-0.3 1,-0.1 -6,-0.2 -0.628 57.9-150.4 -97.2 145.6 -11.9 17.7 -5.3 84 84 X V S S+ 0 0 0 -8,-2.4 2,-0.8 -2,-0.3 -6,-0.2 0.900 100.2 40.3 -67.1 -45.0 -14.7 16.1 -7.4 85 85 X A S > S- 0 0 0 -8,-3.2 3,-1.7 -9,-0.2 -1,-0.2 -0.731 71.6-178.6-114.0 86.4 -15.3 19.2 -9.5 86 86 X K T 3 S+ 0 0 13 -2,-0.8 -56,-0.1 -3,-0.3 -1,-0.1 0.480 78.8 41.3 -73.1 -5.4 -11.8 20.6 -10.1 87 87 X K T 3 S+ 0 0 89 -58,-2.5 -55,-0.5 -8,-0.1 -1,-0.3 0.333 85.9 115.5-121.8 6.7 -13.0 23.6 -12.1 88 88 X T < - 0 0 0 -3,-1.7 2,-0.4 -59,-0.4 -54,-0.2 -0.257 68.2-111.9 -69.9 159.3 -16.1 24.8 -10.1 89 89 X Q E -c 34 0B 73 -56,-2.0 -54,-3.1 -59,-0.3 2,-0.5 -0.808 30.8-148.3 -88.9 138.5 -16.3 28.2 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.8 -36,-1.8 -2,-0.4 2,-0.4 -0.932 12.9-171.6-114.3 129.2 -16.4 27.8 -4.5 91 91 X F E -cd 36 54B 9 -56,-2.8 -54,-2.7 -2,-0.5 2,-0.4 -0.987 12.0-148.9-125.0 124.5 -18.3 30.3 -2.2 92 92 X G E -cd 37 55B 0 -38,-2.5 -36,-2.6 -2,-0.4 -35,-1.5 -0.778 12.1-173.5-101.1 133.7 -17.9 30.1 1.6 93 93 X V E -cd 38 57B 0 -56,-2.5 -54,-2.1 -2,-0.4 2,-1.1 -0.987 16.3-149.2-125.0 112.1 -20.7 31.1 4.0 94 94 X K E +cd 39 58B 3 -37,-3.0 -35,-1.8 -2,-0.5 -34,-0.2 -0.738 40.8 144.0 -91.7 94.8 -19.5 31.0 7.6 95 95 X V + 0 0 0 -56,-1.4 2,-0.4 -2,-1.1 -55,-0.2 0.438 60.9 67.5-102.1 -8.4 -22.5 30.1 9.7 96 96 X L S S- 0 0 14 -57,-2.2 6,-0.3 -3,-0.2 -57,-0.1 -0.932 80.8-129.5-114.5 141.0 -20.4 28.1 12.2 97 97 X D > - 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