==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAY-07 2PYZ . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR A.K.SINGH,N.SINGH,M.SINHA,S.SHARMA,A.BHUSHAN,P.KAUR, . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 65.2 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 . 19 6.8 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 . 57 20.4 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 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 A A 0 0 28 0, 0.0 24,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 155.9 -24.9 22.2 -16.8 2 2 A A E -A 24 0A 58 22,-0.2 2,-0.6 2,-0.0 22,-0.2 -0.983 360.0-156.3-144.6 133.1 -26.3 24.3 -14.0 3 3 A Q E > -A 23 0A 31 20,-2.7 20,-2.5 -2,-0.4 3,-0.6 -0.931 22.0-147.2-105.6 113.9 -27.9 23.5 -10.7 4 4 A T T 3 S+ 0 0 103 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.472 77.8 15.3 -80.7 155.8 -30.2 26.2 -9.5 5 5 A N T 3 S+ 0 0 144 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.889 90.2 173.9 45.3 48.2 -30.6 27.0 -5.8 6 6 A A < - 0 0 11 15,-2.5 -1,-0.1 -3,-0.6 76,-0.1 -0.415 44.6 -82.7 -73.7 156.0 -27.4 25.0 -5.1 7 7 A P >> - 0 0 24 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.325 49.8-110.6 -52.5 144.7 -25.8 24.8 -1.6 8 8 A W H 3> S+ 0 0 27 1,-0.2 4,-2.5 199,-0.2 5,-0.1 0.814 114.4 59.7 -54.6 -35.7 -23.7 27.9 -1.3 9 9 A G H 3> S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 105.6 47.1 -60.6 -44.2 -20.4 26.0 -1.4 10 10 A L H <> S+ 0 0 1 -3,-0.8 4,-0.7 1,-0.2 14,-0.2 0.929 113.1 48.9 -63.8 -47.5 -21.1 24.5 -4.8 11 11 A A H >< S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.907 109.5 54.1 -54.4 -42.0 -22.1 27.9 -6.2 12 12 A R H >< S+ 0 0 6 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.889 102.7 54.7 -66.9 -39.3 -18.9 29.4 -4.7 13 13 A I H 3< S+ 0 0 2 -4,-1.9 262,-3.1 1,-0.3 263,-0.3 0.611 111.4 46.5 -72.0 -11.5 -16.6 26.9 -6.4 14 14 A S T << S+ 0 0 10 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.3 0.123 106.8 70.5-113.1 20.5 -18.1 27.8 -9.8 15 15 A S < - 0 0 14 -3,-1.5 242,-0.1 1,-0.1 261,-0.1 -0.970 65.2-145.4-135.6 151.7 -18.0 31.7 -9.3 16 16 A T S S+ 0 0 84 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.551 91.8 47.6 -85.3 -8.6 -15.4 34.4 -9.2 17 17 A S S S- 0 0 53 -5,-0.0 3,-0.5 240,-0.0 -3,-0.1 -0.935 83.4-116.5-131.5 151.2 -17.6 36.2 -6.6 18 18 A P S S+ 0 0 59 0, 0.0 168,-0.1 0, 0.0 -2,-0.1 -0.360 86.7 53.9 -75.1 165.6 -19.5 35.3 -3.4 19 19 A G S S+ 0 0 82 166,-0.4 2,-0.1 1,-0.3 167,-0.0 0.383 72.3 125.0 95.8 -2.9 -23.3 35.5 -3.2 20 20 A T - 0 0 50 -3,-0.5 -1,-0.3 -12,-0.1 -9,-0.1 -0.453 43.3-160.5 -88.2 162.7 -24.4 33.5 -6.2 21 21 A S + 0 0 61 -2,-0.1 -15,-2.5 -10,-0.1 2,-0.4 0.342 59.8 90.2-127.4 4.5 -26.8 30.5 -5.9 22 22 A T - 0 0 25 -17,-0.2 2,-0.7 -18,-0.2 -18,-0.2 -0.902 59.9-148.2-110.7 132.6 -26.2 28.6 -9.1 23 23 A Y E -A 3 0A 0 -20,-2.5 -20,-2.7 -2,-0.4 2,-0.5 -0.880 15.6-164.4 -97.3 112.4 -23.6 25.8 -9.5 24 24 A Y E +A 2 0A 105 -2,-0.7 2,-0.3 -22,-0.2 -22,-0.2 -0.848 22.1 152.4 -98.7 129.9 -22.2 25.7 -13.1 25 25 A Y - 0 0 37 -24,-2.2 2,-0.3 -2,-0.5 -11,-0.0 -0.993 47.9 -93.8-154.1 152.6 -20.4 22.5 -14.1 26 26 A D > - 0 0 49 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.550 36.4-124.2 -67.8 135.6 -19.5 20.4 -17.1 27 27 A E T 3 S+ 0 0 103 -2,-0.3 -1,-0.1 1,-0.3 -25,-0.0 0.709 104.0 77.1 -52.7 -27.9 -22.0 17.5 -17.7 28 28 A S T > S- 0 0 30 1,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.846 75.3-175.7 -53.1 -38.2 -19.1 14.9 -17.5 29 29 A A T < - 0 0 1 -3,-1.9 58,-3.0 1,-0.3 59,-0.4 0.718 65.5 -54.0 51.7 36.9 -19.3 15.5 -13.7 30 30 A G T > S+ 0 0 0 206,-0.3 3,-2.0 1,-0.2 59,-0.3 0.588 84.6 165.5 77.2 9.6 -16.4 13.3 -12.7 31 31 A Q T < + 0 0 124 -3,-2.5 -1,-0.2 1,-0.2 57,-0.2 -0.342 67.0 25.8 -58.1 135.3 -17.7 10.2 -14.5 32 32 A G T 3 S+ 0 0 26 55,-0.5 93,-2.6 1,-0.4 94,-0.6 0.314 102.7 102.6 90.1 -11.1 -14.9 7.6 -14.8 33 33 A S E < -b 126 0B 1 -3,-2.0 56,-1.8 92,-0.2 -1,-0.4 -0.604 58.9-147.2 -95.9 164.0 -13.0 8.9 -11.7 34 34 A a E -bc 127 89B 3 92,-2.0 94,-2.4 -2,-0.2 2,-0.5 -1.000 6.9-163.8-135.5 136.2 -13.1 7.3 -8.2 35 35 A V E -bc 128 90B 0 54,-2.9 56,-2.3 -2,-0.4 2,-0.5 -0.979 8.0-152.7-123.8 124.6 -12.9 8.9 -4.8 36 36 A Y E -bc 129 91B 0 92,-3.0 94,-2.7 -2,-0.5 2,-0.6 -0.814 8.0-156.8 -89.3 128.7 -12.1 7.0 -1.6 37 37 A V E -bc 130 92B 1 54,-2.8 56,-2.3 -2,-0.5 2,-0.8 -0.949 4.8-163.0-108.5 113.1 -13.7 8.6 1.5 38 38 A I E + c 0 93B 0 92,-2.1 94,-0.4 -2,-0.6 2,-0.2 -0.856 50.3 87.7-103.7 104.6 -11.6 7.5 4.5 39 39 A D E S- c 0 94B 1 54,-2.2 57,-1.8 -2,-0.8 56,-1.6 -0.594 95.6 -34.5-168.1-148.5 -13.9 8.3 7.4 40 40 A T S S- 0 0 0 1,-0.3 26,-0.4 54,-0.2 27,-0.3 0.323 97.9 -93.7 -84.4 5.2 -16.7 6.8 9.6 41 41 A G - 0 0 1 52,-0.4 2,-0.4 -4,-0.1 -1,-0.3 -0.552 39.4 -90.5 109.0-175.7 -18.1 5.0 6.6 42 42 A I - 0 0 4 21,-0.5 2,-1.8 -2,-0.2 23,-0.1 -0.996 18.6-129.3-139.7 130.8 -20.8 5.8 4.0 43 43 A E > - 0 0 42 -2,-0.4 3,-1.9 1,-0.2 6,-0.2 -0.628 33.1-175.4 -73.8 87.7 -24.6 5.1 4.1 44 44 A A T 3 S+ 0 0 34 -2,-1.8 7,-0.4 1,-0.3 9,-0.4 0.720 72.6 64.3 -64.5 -23.4 -24.4 3.6 0.6 45 45 A S T 3 + 0 0 105 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.512 69.6 124.1 -79.7 -8.5 -28.2 3.1 0.4 46 46 A H X - 0 0 10 -3,-1.9 3,-2.4 1,-0.2 4,-0.5 -0.381 67.7-132.1 -54.5 125.5 -28.9 6.9 0.6 47 47 A P G > S+ 0 0 103 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.791 102.4 70.7 -51.1 -29.8 -31.0 7.7 -2.6 48 48 A E G 3 S+ 0 0 21 1,-0.3 32,-2.4 2,-0.1 34,-0.1 0.667 92.3 54.8 -65.4 -18.1 -28.6 10.7 -3.1 49 49 A F G X S- 0 0 0 -3,-2.4 3,-2.7 30,-0.2 -1,-0.3 0.593 92.6-147.6 -93.1 -11.2 -25.7 8.4 -4.1 50 50 A E T < - 0 0 108 -3,-1.3 -2,-0.1 -4,-0.5 -5,-0.1 0.764 67.8 -56.6 56.5 30.9 -27.8 6.7 -6.9 51 51 A G T 3 S+ 0 0 68 -5,-0.4 -1,-0.3 -7,-0.4 -6,-0.1 0.532 115.1 114.4 76.6 8.3 -26.0 3.4 -6.3 52 52 A R < + 0 0 26 -3,-2.7 38,-2.6 26,-0.1 2,-0.4 0.378 60.1 76.8 -89.6 1.9 -22.6 5.0 -7.0 53 53 A A E +d 90 0B 9 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.892 52.6 167.2-113.9 142.8 -21.3 4.4 -3.5 54 54 A Q E -d 91 0B 85 36,-1.6 38,-2.5 -2,-0.4 2,-0.4 -0.979 34.1-121.6-152.5 146.8 -20.1 1.3 -1.9 55 55 A M E +d 92 0B 41 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.714 29.3 172.2 -81.4 133.0 -18.2 0.2 1.3 56 56 A V E + 0 0 30 36,-2.4 2,-0.3 -2,-0.4 37,-0.2 0.563 61.1 13.6-115.1 -19.4 -15.0 -1.6 0.5 57 57 A K E -d 93 0B 76 35,-1.2 37,-2.6 6,-0.1 2,-0.3 -0.959 52.8-173.4-159.5 137.5 -13.3 -1.9 3.9 58 58 A T E -d 94 0B 40 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.991 15.9-163.0-130.9 148.7 -14.0 -1.6 7.6 59 59 A Y S S+ 0 0 65 35,-2.0 2,-0.2 -2,-0.3 36,-0.1 0.202 77.1 60.7-106.1 10.7 -11.7 -1.8 10.6 60 60 A Y S S- 0 0 61 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.569 104.5 -79.7-125.4-171.6 -14.6 -2.3 13.0 61 61 A Y S S+ 0 0 235 -2,-0.2 2,-0.3 2,-0.0 -3,-0.0 0.799 111.5 22.7 -63.5 -31.7 -17.5 -4.8 13.7 62 62 A S - 0 0 60 2,-0.2 -2,-0.4 1,-0.0 -3,-0.1 -0.879 63.7-136.7-132.7 160.9 -19.6 -3.3 10.9 63 63 A S + 0 0 53 -2,-0.3 -21,-0.5 -5,-0.1 2,-0.1 0.406 69.9 118.2 -94.5 1.5 -19.2 -1.3 7.7 64 64 A R S S- 0 0 153 -23,-0.1 2,-1.1 1,-0.1 -2,-0.2 -0.387 70.0-126.4 -70.8 138.8 -22.2 0.9 8.6 65 65 A D + 0 0 3 1,-0.1 -24,-0.1 -23,-0.1 -1,-0.1 -0.792 35.4 169.5 -80.9 101.8 -21.8 4.6 9.2 66 66 A G S S+ 0 0 23 -2,-1.1 -1,-0.1 -26,-0.4 -25,-0.1 0.278 72.2 49.8 -92.9 8.4 -23.4 4.9 12.7 67 67 A N S S- 0 0 46 -27,-0.3 146,-0.1 30,-0.0 -1,-0.1 0.800 89.3-136.2-110.6 -56.6 -22.1 8.5 13.0 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.4 -28,-0.1 5,-0.2 -0.030 76.7 100.4 120.7 -30.3 -23.0 10.5 9.9 69 69 A H H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.908 85.5 46.1 -56.8 -47.1 -19.6 12.4 9.3 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 112.5 50.3 -65.8 -40.3 -18.5 10.0 6.5 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 140,-0.3 0.899 110.8 50.6 -64.8 -38.1 -21.8 10.1 4.8 72 72 A H H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 139,-0.4 0.945 112.3 45.6 -63.4 -51.0 -21.8 14.0 4.9 73 73 A C H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 3,-0.4 0.934 112.5 50.7 -57.4 -50.4 -18.3 14.2 3.4 74 74 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.858 106.3 56.9 -55.4 -41.4 -19.1 11.6 0.7 75 75 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.871 105.5 49.9 -57.9 -39.5 -22.2 13.7 -0.1 76 76 A T H < S+ 0 0 1 -4,-1.6 8,-2.3 -3,-0.4 9,-0.2 0.852 113.0 47.8 -71.2 -34.1 -20.1 16.8 -0.7 77 77 A V H < S- 0 0 0 -4,-1.8 8,-3.2 6,-0.2 7,-0.2 0.977 137.5 -12.4 -62.8 -54.1 -17.8 14.8 -3.0 78 78 A G H < S+ 0 0 0 -4,-2.6 -3,-0.2 5,-0.2 -2,-0.2 0.240 82.2 128.6-150.0 15.5 -20.4 13.1 -5.2 79 79 A S X - 0 0 0 -4,-1.9 4,-1.3 -5,-0.3 -30,-0.2 -0.443 62.6-115.8 -74.4 158.8 -24.1 13.1 -4.2 80 80 A R T 4 S+ 0 0 141 -32,-2.4 -1,-0.1 1,-0.2 6,-0.1 0.956 108.7 24.0 -57.5 -55.5 -26.6 14.2 -6.8 81 81 A T T 4 S+ 0 0 31 1,-0.1 -1,-0.2 -33,-0.1 5,-0.0 0.859 135.4 29.5 -83.1 -37.8 -27.9 17.3 -5.0 82 82 A Y T 4 S+ 0 0 39 -7,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.332 97.5 106.1-108.5 6.0 -25.0 18.2 -2.7 83 83 A G < - 0 0 0 -4,-1.3 3,-0.3 1,-0.1 -6,-0.2 -0.607 55.8-153.0-102.0 148.3 -22.0 16.9 -4.6 84 84 A V S S+ 0 0 0 -8,-2.3 2,-0.9 1,-0.3 -6,-0.2 0.933 99.7 37.3 -75.1 -49.1 -19.2 18.6 -6.6 85 85 A A S > S- 0 0 0 -8,-3.2 3,-1.4 -9,-0.2 -1,-0.3 -0.821 75.7-174.7-109.9 91.5 -18.6 15.6 -8.9 86 86 A K T 3 S+ 0 0 14 -2,-0.9 -56,-0.2 1,-0.3 -1,-0.1 0.538 77.6 38.4 -77.1 -7.5 -22.1 14.2 -9.4 87 87 A K T 3 S+ 0 0 93 -58,-3.0 -55,-0.5 2,-0.1 -1,-0.3 0.224 87.2 116.3-122.3 13.9 -21.2 11.1 -11.5 88 88 A T < - 0 0 0 -3,-1.4 2,-0.5 -59,-0.4 -54,-0.2 -0.284 65.7-115.2 -72.6 161.4 -18.0 10.0 -9.7 89 89 A Q E -c 34 0B 84 -56,-1.8 -54,-2.9 -59,-0.3 2,-0.4 -0.906 25.5-146.9-103.3 144.0 -17.9 6.7 -7.9 90 90 A L E -cd 35 53B 0 -38,-2.6 -36,-1.6 -2,-0.5 2,-0.4 -0.827 11.3-169.7-109.6 134.9 -17.4 6.6 -4.2 91 91 A F E -cd 36 54B 8 -56,-2.3 -54,-2.8 -2,-0.4 2,-0.4 -0.992 15.1-146.2-121.6 127.8 -15.7 4.0 -2.1 92 92 A G E -cd 37 55B 0 -38,-2.5 -36,-2.4 -2,-0.4 -35,-1.2 -0.744 13.4-175.2 -94.8 135.1 -16.0 4.0 1.7 93 93 A V E -cd 38 57B 0 -56,-2.3 -54,-2.2 -2,-0.4 2,-1.1 -0.973 16.6-149.0-126.0 115.4 -13.2 3.0 4.0 94 94 A K E +cd 39 58B 4 -37,-2.6 -35,-2.0 -2,-0.5 -54,-0.2 -0.703 41.6 142.2 -92.6 95.9 -14.2 3.0 7.7 95 95 A V + 0 0 0 -56,-1.6 2,-0.4 -2,-1.1 -55,-0.2 0.505 60.1 70.4-104.1 -10.7 -11.2 3.8 9.8 96 96 A L S S- 0 0 11 -57,-1.8 6,-0.2 -3,-0.2 -57,-0.1 -0.899 80.3-127.4-109.5 139.9 -13.1 5.9 12.3 97 97 A D > - 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