==== 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 3DE2 . 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) . 10148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.3 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 . 19 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.2 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 2 2 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 30 0, 0.0 24,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.5 -9.4 12.6 -17.6 2 2 X A E -A 24 0A 65 22,-0.2 2,-0.7 277,-0.0 22,-0.2 -0.985 360.0-166.2-132.9 124.0 -7.6 10.3 -15.1 3 3 X Q E > -A 23 0A 30 20,-3.3 20,-2.9 -2,-0.4 3,-0.6 -0.914 20.5-147.4-110.0 110.5 -6.1 11.3 -11.8 4 4 X T T 3 S+ 0 0 97 -2,-0.7 18,-0.2 1,-0.2 -2,-0.0 -0.343 76.0 14.1 -78.5 153.6 -3.8 8.5 -10.5 5 5 X N T 3 S+ 0 0 135 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.892 88.2 169.8 50.6 46.6 -3.4 7.8 -6.8 6 6 X A < - 0 0 10 15,-2.8 -1,-0.1 -3,-0.6 76,-0.1 -0.390 49.1 -76.7 -76.9 164.1 -6.5 9.9 -6.0 7 7 X P >> - 0 0 20 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.334 50.9-112.4 -50.8 144.3 -8.0 9.9 -2.5 8 8 X W H 3> S+ 0 0 20 1,-0.2 4,-2.3 199,-0.2 12,-0.2 0.835 115.0 58.9 -55.8 -32.8 -10.0 6.6 -2.3 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.862 104.9 47.6 -67.9 -40.3 -13.3 8.5 -2.3 10 10 X L H <> S+ 0 0 1 -3,-0.7 4,-1.0 2,-0.2 14,-0.3 0.924 113.5 48.5 -62.9 -50.1 -12.7 10.2 -5.6 11 11 X A H >< S+ 0 0 0 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.904 110.4 52.1 -54.2 -45.1 -11.7 6.9 -7.1 12 12 X R H >< S+ 0 0 4 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.869 102.9 58.7 -62.3 -38.5 -14.9 5.2 -5.6 13 13 X I H 3< S+ 0 0 0 -4,-1.7 262,-3.0 1,-0.3 263,-0.4 0.725 111.2 40.7 -67.8 -22.0 -17.2 7.9 -7.1 14 14 X S T << S+ 0 0 8 -4,-1.0 2,-0.4 -3,-0.7 -1,-0.3 0.187 106.1 88.2-109.3 19.6 -16.0 7.0 -10.7 15 15 X S < - 0 0 12 -3,-1.5 242,-0.1 1,-0.1 261,-0.1 -0.898 62.9-150.9-125.4 146.6 -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 0.537 91.1 35.2 -77.6 -12.2 -18.3 0.3 -10.4 17 17 X S S S- 0 0 56 -5,-0.0 3,-0.3 240,-0.0 -1,-0.1 -0.993 81.5-111.3-148.8 154.7 -16.3 -1.4 -7.7 18 18 X P S S+ 0 0 57 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.219 85.9 55.7 -71.2 168.3 -14.3 -0.7 -4.5 19 19 X G S S+ 0 0 79 166,-0.5 2,-0.3 1,-0.3 167,-0.1 0.646 73.8 115.7 87.7 18.7 -10.6 -1.1 -4.3 20 20 X T - 0 0 62 -3,-0.3 -1,-0.3 -12,-0.2 -9,-0.1 -0.818 45.2-160.3-116.4 161.2 -9.3 1.2 -7.1 21 21 X S + 0 0 57 -2,-0.3 -15,-2.8 -10,-0.1 2,-0.4 0.271 59.0 92.2-126.4 7.1 -7.1 4.4 -6.7 22 22 X T - 0 0 24 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.914 61.9-143.2-107.2 133.2 -7.6 6.4 -10.0 23 23 X Y E -A 3 0A 0 -20,-2.9 -20,-3.3 -2,-0.4 2,-0.4 -0.853 14.5-164.6 -95.0 127.9 -10.2 9.0 -10.3 24 24 X Y E +A 2 0A 88 -2,-0.5 2,-0.3 -14,-0.3 253,-0.2 -0.925 21.3 148.1-112.5 131.0 -11.9 9.3 -13.8 25 25 X Y - 0 0 34 -24,-1.7 2,-0.2 -2,-0.4 -11,-0.0 -0.990 51.8 -91.8-159.2 151.1 -13.9 12.4 -14.8 26 26 X D > - 0 0 49 -2,-0.3 3,-2.2 1,-0.1 4,-0.1 -0.493 39.3-125.9 -66.6 136.3 -14.9 14.5 -17.8 27 27 X E T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.636 102.5 81.6 -66.9 -16.1 -12.4 17.4 -18.1 28 28 X S T > S- 0 0 34 1,-0.1 3,-2.4 2,-0.1 -1,-0.3 0.877 78.1-172.8 -53.6 -34.3 -15.2 20.0 -18.1 29 29 X A T < - 0 0 1 -3,-2.2 58,-2.5 1,-0.3 59,-0.4 0.733 63.4 -53.1 54.1 32.7 -14.7 19.3 -14.4 30 30 X G T > S+ 0 0 0 206,-0.4 3,-1.8 1,-0.2 -1,-0.3 0.633 85.5 169.7 76.5 13.6 -17.7 21.4 -13.2 31 31 X Q T < + 0 0 117 -3,-2.4 -1,-0.2 1,-0.2 57,-0.2 -0.355 65.7 22.9 -55.4 133.5 -16.5 24.5 -15.0 32 32 X G T 3 S+ 0 0 25 55,-0.5 93,-2.8 1,-0.4 94,-0.6 0.423 103.4 106.2 84.8 1.4 -19.2 27.2 -15.0 33 33 X S E < -b 126 0B 0 -3,-1.8 56,-1.9 92,-0.2 -1,-0.4 -0.622 57.7-145.0 -99.0 169.1 -20.9 25.8 -11.9 34 34 X a E -bc 127 89B 0 92,-1.8 94,-2.4 -2,-0.2 2,-0.4 -0.997 7.0-163.4-132.6 141.4 -20.8 27.2 -8.4 35 35 X V E -bc 128 90B 0 54,-3.4 56,-2.6 -2,-0.4 2,-0.5 -0.977 7.7-154.0-126.0 121.9 -20.8 25.5 -5.0 36 36 X Y E -bc 129 91B 0 92,-2.8 94,-2.8 -2,-0.4 2,-0.7 -0.771 6.4-157.4 -82.2 126.2 -21.6 27.2 -1.7 37 37 X V E -bc 130 92B 1 54,-2.9 56,-2.5 -2,-0.5 2,-0.8 -0.932 5.8-164.7-108.2 110.9 -19.9 25.6 1.2 38 38 X I E + c 0 93B 0 92,-2.0 94,-0.5 -2,-0.7 56,-0.2 -0.846 51.8 81.7-101.1 100.1 -22.0 26.6 4.3 39 39 X D E S- c 0 94B 1 54,-2.0 57,-2.1 -2,-0.8 56,-1.3 -0.591 98.6 -28.8-168.9-146.2 -19.8 25.8 7.2 40 40 X T S S- 0 0 0 1,-0.3 26,-0.4 54,-0.2 27,-0.2 0.399 97.9 -99.3 -80.8 0.6 -16.8 27.2 9.2 41 41 X G - 0 0 0 52,-0.3 2,-0.4 24,-0.1 -1,-0.3 -0.583 37.0 -88.0 109.5-173.7 -15.6 29.0 6.1 42 42 X I - 0 0 2 21,-0.5 2,-1.9 -2,-0.2 3,-0.1 -0.989 18.0-130.8-138.8 130.3 -12.9 28.3 3.5 43 43 X E > - 0 0 41 -2,-0.4 3,-1.9 1,-0.2 6,-0.1 -0.599 31.0-176.4 -76.4 87.5 -9.2 29.1 3.5 44 44 X A T 3 S+ 0 0 34 -2,-1.9 7,-0.5 1,-0.3 9,-0.4 0.705 73.4 65.8 -59.9 -24.5 -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 0.552 70.3 120.6 -81.2 -6.3 -5.7 31.2 -0.1 46 46 X H S X> S- 0 0 10 -3,-1.9 3,-2.3 1,-0.2 4,-0.6 -0.380 70.0-131.2 -58.1 129.3 -4.9 27.5 -0.1 47 47 X P G >4 S+ 0 0 81 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.783 103.5 70.2 -52.9 -27.1 -2.9 26.6 -3.3 48 48 X E G 34 S+ 0 0 10 1,-0.2 32,-2.2 2,-0.1 33,-0.1 0.641 94.8 53.3 -68.0 -14.7 -5.3 23.7 -3.8 49 49 X F G X4 S- 0 0 0 -3,-2.3 3,-2.6 30,-0.2 -1,-0.2 0.635 88.7-155.7 -97.7 -17.2 -8.1 26.2 -4.6 50 50 X E T << - 0 0 108 -3,-0.9 -2,-0.1 -4,-0.6 -5,-0.1 0.736 67.9 -52.1 59.7 27.9 -6.1 28.0 -7.3 51 51 X G T 3 S+ 0 0 69 -7,-0.5 -1,-0.3 -5,-0.3 -6,-0.1 0.379 118.1 106.2 88.6 -7.4 -8.1 31.3 -7.1 52 52 X R < + 0 0 23 -3,-2.6 38,-2.7 26,-0.1 2,-0.4 0.503 62.9 79.8 -88.6 -2.9 -11.5 29.5 -7.5 53 53 X A E +d 90 0B 10 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.847 52.6 170.1-105.9 148.3 -12.5 29.9 -3.9 54 54 X Q E -d 91 0B 100 36,-1.7 38,-2.8 -2,-0.4 2,-0.5 -0.991 33.3-127.0-150.5 138.5 -13.9 33.0 -2.2 55 55 X M E +d 92 0B 39 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.776 30.6 170.9 -79.0 126.4 -15.5 33.9 1.2 56 56 X V E + 0 0 27 36,-2.6 2,-0.3 -2,-0.5 37,-0.2 0.589 59.1 11.6-110.0 -15.2 -18.8 35.6 0.4 57 57 X K E +d 93 0B 77 35,-1.4 37,-2.5 6,-0.1 -1,-0.3 -0.983 50.2 177.5-162.2 143.4 -20.4 35.8 3.9 58 58 X T E -d 94 0B 34 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.985 19.6-158.5-142.9 154.0 -19.8 35.4 7.6 59 59 X Y S S+ 0 0 64 35,-1.9 2,-0.2 -2,-0.3 36,-0.1 0.224 78.0 68.4-110.3 12.7 -22.0 36.0 10.7 60 60 X Y S S- 0 0 26 2,-0.3 -2,-0.1 34,-0.2 34,-0.1 -0.675 103.2 -84.9-124.2 179.0 -19.0 36.3 12.9 61 61 X Y S S+ 0 0 218 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.690 111.7 26.9 -62.6 -21.7 -16.1 38.7 13.5 62 62 X S - 0 0 56 2,-0.1 -2,-0.3 1,-0.1 -3,-0.2 -0.979 59.2-146.9-138.9 157.8 -14.1 37.1 10.8 63 63 X S + 0 0 47 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.455 67.2 114.0 -93.1 -4.0 -14.7 35.2 7.6 64 64 X R S S- 0 0 67 -23,-0.1 2,-1.0 1,-0.1 -2,-0.1 -0.374 74.6-118.6 -67.9 146.6 -11.5 33.1 8.0 65 65 X D + 0 0 9 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.759 37.3 171.2 -82.0 105.2 -11.8 29.4 8.7 66 66 X G S S+ 0 0 38 -2,-1.0 -1,-0.2 -26,-0.4 -25,-0.1 0.279 75.1 46.9 -98.8 8.3 -10.3 29.1 12.1 67 67 X N S S- 0 0 45 -27,-0.2 146,-0.2 30,-0.0 -1,-0.1 0.736 89.4-137.5-112.6 -55.8 -11.4 25.5 12.4 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.4 -28,-0.1 5,-0.2 0.095 75.6 103.7 114.4 -24.3 -10.5 23.7 9.1 69 69 X H H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.949 84.4 43.8 -56.1 -53.2 -13.8 21.8 8.8 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.859 112.5 53.9 -61.5 -34.3 -15.3 24.0 6.1 71 71 X T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 140,-0.3 0.901 108.1 49.4 -68.1 -41.6 -11.9 24.1 4.3 72 72 X H H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 139,-0.4 0.943 112.3 47.6 -56.9 -52.1 -11.9 20.2 4.2 73 73 X C H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.5 0.949 112.0 49.2 -57.3 -50.5 -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,-0.4 0.847 107.3 56.3 -55.3 -37.2 -14.7 22.7 0.2 75 75 X G H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.870 106.9 49.1 -67.3 -33.3 -11.5 20.8 -0.8 76 76 X T H < S+ 0 0 1 -4,-1.7 8,-2.4 -3,-0.5 -2,-0.2 0.874 112.8 48.7 -74.2 -34.5 -13.7 17.6 -1.4 77 77 X V H < S- 0 0 0 -4,-2.0 8,-3.1 6,-0.2 -2,-0.2 0.971 138.5 -15.0 -62.1 -56.0 -16.1 19.7 -3.5 78 78 X G H < S+ 0 0 0 -4,-2.7 -3,-0.2 5,-0.2 -2,-0.2 0.291 81.3 130.4-150.6 14.2 -13.5 21.4 -5.7 79 79 X S X - 0 0 0 -4,-1.7 4,-1.5 -5,-0.4 -30,-0.2 -0.410 63.0-115.8 -65.2 154.9 -9.8 21.4 -4.8 80 80 X R T 4 S+ 0 0 100 -32,-2.2 -1,-0.1 1,-0.2 6,-0.1 0.894 108.9 24.1 -62.7 -41.1 -7.4 20.3 -7.7 81 81 X T T 4 S+ 0 0 41 -33,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.880 135.7 29.5 -90.1 -41.1 -6.1 17.2 -5.9 82 82 X Y T 4 S+ 0 0 37 -76,-0.1 2,-0.3 -34,-0.1 -2,-0.2 0.399 99.5 103.8-105.3 1.1 -8.8 16.3 -3.4 83 83 X G < - 0 0 0 -4,-1.5 3,-0.3 -5,-0.1 -6,-0.2 -0.601 56.4-153.8 -96.4 146.2 -11.9 17.6 -5.3 84 84 X V S S+ 0 0 0 -8,-2.4 2,-0.8 -2,-0.3 -6,-0.2 0.888 99.7 38.1 -70.8 -46.3 -14.7 16.1 -7.3 85 85 X A S > S- 0 0 0 -8,-3.1 3,-1.6 -9,-0.2 -1,-0.2 -0.801 73.9-177.5-111.6 86.7 -15.4 19.1 -9.5 86 86 X K T 3 S+ 0 0 13 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.480 78.6 41.4 -72.2 -3.3 -11.8 20.5 -10.0 87 87 X K T 3 S+ 0 0 89 -58,-2.5 -55,-0.5 2,-0.1 -1,-0.3 0.240 86.4 117.7-127.5 9.6 -12.9 23.5 -12.0 88 88 X T < - 0 0 0 -3,-1.6 2,-0.4 -59,-0.4 -54,-0.2 -0.342 67.5-113.3 -73.7 160.4 -16.0 24.7 -10.0 89 89 X Q E -c 34 0B 75 -56,-1.9 -54,-3.4 -59,-0.3 2,-0.5 -0.827 31.1-151.3 -90.9 134.5 -16.3 28.1 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.7 -36,-1.7 -2,-0.4 2,-0.5 -0.931 10.6-169.5-114.0 128.6 -16.4 27.7 -4.5 91 91 X F E -cd 36 54B 9 -56,-2.6 -54,-2.9 -2,-0.5 2,-0.4 -0.980 11.5-147.9-120.9 122.5 -18.3 30.2 -2.3 92 92 X G E -cd 37 55B 0 -38,-2.8 -36,-2.6 -2,-0.5 -35,-1.4 -0.740 12.7-174.5 -95.9 133.9 -17.9 30.1 1.5 93 93 X V E -cd 38 57B 0 -56,-2.5 -54,-2.0 -2,-0.4 2,-1.2 -0.972 17.4-147.9-126.9 110.5 -20.6 31.1 3.9 94 94 X K E +cd 39 58B 5 -37,-2.5 -35,-1.9 -2,-0.5 -34,-0.2 -0.690 42.4 142.8 -88.7 90.2 -19.4 31.1 7.6 95 95 X V + 0 0 0 -56,-1.3 2,-0.4 -2,-1.2 -1,-0.2 0.482 62.0 68.8 -96.5 -10.8 -22.5 30.1 9.7 96 96 X L S S- 0 0 10 -57,-2.1 6,-0.2 -3,-0.2 -57,-0.1 -0.924 81.2-129.7-114.7 137.4 -20.3 28.0 12.1 97 97 X D > - 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