==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE SUBSTRATE 02-JUN-03 1PJ8 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR A.K.SAXENA,T.P.SINGH,K.PETERS,S.FITTKAU,M.VISANJI,K.S.WILSON . 285 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.0 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 20.0 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 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 A A 0 0 32 0, 0.0 24,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.6 -9.3 11.8 -16.8 2 2 A A E -A 24 0A 60 22,-0.2 2,-0.6 25,-0.0 22,-0.3 -0.997 360.0-152.3-135.7 145.1 -7.9 9.7 -13.9 3 3 A Q E > -A 23 0A 31 20,-2.6 20,-3.0 -2,-0.3 3,-0.6 -0.981 21.4-147.8-119.0 117.2 -6.4 10.6 -10.6 4 4 A T T 3 S+ 0 0 102 -2,-0.6 18,-0.2 18,-0.2 -2,-0.0 -0.521 78.0 13.3 -86.9 148.5 -4.1 7.9 -9.4 5 5 A N T 3 S+ 0 0 138 -2,-0.2 -1,-0.2 1,-0.1 17,-0.2 0.922 90.9 170.8 45.7 47.8 -3.6 7.1 -5.6 6 6 A A < - 0 0 10 15,-3.2 -1,-0.1 -3,-0.6 76,-0.1 -0.461 46.8 -80.7 -77.3 160.0 -6.7 9.2 -5.1 7 7 A P >> - 0 0 25 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.379 48.9-112.1 -56.0 144.7 -8.3 9.3 -1.6 8 8 A W H 3> S+ 0 0 47 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.823 114.9 57.2 -54.8 -40.0 -10.5 6.2 -1.3 9 9 A G H 3> S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.843 106.5 49.7 -60.4 -36.6 -13.8 8.1 -1.3 10 10 A L H <> S+ 0 0 2 -3,-1.1 4,-0.6 2,-0.2 14,-0.2 0.895 113.9 45.3 -69.1 -44.1 -12.9 9.7 -4.7 11 11 A A H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.910 109.3 56.7 -64.2 -40.3 -12.1 6.2 -6.1 12 12 A R H >< S+ 0 0 5 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.902 101.8 56.4 -58.2 -40.9 -15.2 4.7 -4.6 13 13 A I H 3< S+ 0 0 0 -4,-1.5 262,-2.9 1,-0.3 263,-0.3 0.616 111.2 40.9 -72.1 -16.0 -17.4 7.2 -6.4 14 14 A S T << S+ 0 0 12 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.3 0.033 107.9 80.3-115.6 20.6 -16.1 6.3 -9.9 15 15 A S < - 0 0 14 -3,-1.5 242,-0.1 1,-0.1 261,-0.1 -0.969 64.4-150.7-129.1 151.0 -16.0 2.6 -9.2 16 16 A T S S+ 0 0 86 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.616 89.7 43.5 -93.5 -11.1 -18.6 -0.1 -9.2 17 17 A S S > S- 0 0 54 -5,-0.0 3,-0.5 240,-0.0 -1,-0.1 -0.950 86.1-112.5-135.2 151.3 -16.6 -2.0 -6.6 18 18 A P T 3 S+ 0 0 55 0, 0.0 168,-0.1 0, 0.0 -2,-0.1 -0.258 88.3 53.8 -74.2 165.9 -14.7 -1.1 -3.4 19 19 A G T 3 S+ 0 0 81 166,-0.4 2,-0.1 1,-0.3 167,-0.0 0.413 71.3 123.1 92.7 -0.9 -10.9 -1.3 -3.2 20 20 A T < - 0 0 53 -3,-0.5 -1,-0.3 -12,-0.1 -9,-0.1 -0.481 42.7-161.4 -89.4 168.1 -9.8 0.8 -6.2 21 21 A S + 0 0 59 -2,-0.1 -15,-3.2 -10,-0.1 2,-0.4 0.415 59.7 88.0-129.5 -0.0 -7.4 3.8 -5.9 22 22 A T - 0 0 22 -17,-0.2 2,-0.6 -18,-0.2 -18,-0.2 -0.867 61.7-147.7-102.2 137.9 -7.9 5.8 -9.1 23 23 A Y E -A 3 0A 0 -20,-3.0 -20,-2.6 -2,-0.4 2,-0.5 -0.910 15.5-165.4-102.5 118.6 -10.6 8.4 -9.5 24 24 A Y E +A 2 0A 113 -2,-0.6 2,-0.3 -22,-0.3 -22,-0.2 -0.912 22.2 149.2-107.9 130.4 -11.8 8.6 -13.1 25 25 A Y - 0 0 35 -24,-1.9 2,-0.3 -2,-0.5 60,-0.0 -0.967 49.6 -87.2-153.3 163.5 -13.9 11.6 -14.0 26 26 A D > - 0 0 48 -2,-0.3 3,-1.8 1,-0.1 4,-0.1 -0.565 35.7-124.1 -77.4 136.8 -14.6 13.8 -17.0 27 27 A E T 3 S+ 0 0 99 -2,-0.3 -1,-0.1 1,-0.3 -25,-0.0 0.695 103.3 77.5 -53.3 -27.8 -12.2 16.7 -17.5 28 28 A S T > S- 0 0 25 1,-0.1 3,-2.4 2,-0.1 -1,-0.3 0.864 75.9-175.4 -53.2 -34.8 -15.1 19.3 -17.4 29 29 A A T < - 0 0 2 -3,-1.8 58,-2.9 1,-0.3 59,-0.4 0.741 62.8 -54.9 46.5 38.8 -14.8 18.7 -13.7 30 30 A G T > S+ 0 0 0 206,-0.4 3,-1.9 1,-0.2 59,-0.3 0.578 85.5 158.9 78.9 6.1 -17.7 20.9 -12.6 31 31 A Q T < + 0 0 105 -3,-2.4 -1,-0.2 1,-0.2 57,-0.2 -0.418 64.9 32.7 -66.3 141.1 -16.6 24.1 -14.3 32 32 A G T 3 S+ 0 0 29 1,-0.4 93,-2.2 55,-0.4 94,-0.5 0.156 103.7 97.6 99.3 -18.5 -19.5 26.5 -14.9 33 33 A S < - 0 0 1 -3,-1.9 56,-1.7 92,-0.2 -1,-0.4 -0.594 60.4-148.0 -99.4 164.5 -21.2 25.3 -11.6 34 34 A a E -bc 89 127B 3 92,-2.2 94,-2.6 -2,-0.2 2,-0.4 -0.997 5.9-164.2-135.1 140.6 -21.1 26.8 -8.2 35 35 A V E -bc 90 128B 0 54,-2.5 56,-2.2 -2,-0.4 2,-0.5 -0.988 9.3-151.7-127.3 120.9 -21.2 25.2 -4.8 36 36 A Y E -bc 91 129B 0 92,-3.1 94,-2.7 -2,-0.4 2,-0.7 -0.805 9.9-152.8 -88.0 130.2 -22.0 27.2 -1.6 37 37 A V E -bc 92 130B 1 54,-3.2 56,-2.5 -2,-0.5 2,-0.9 -0.911 7.1-163.6-106.8 109.0 -20.4 25.6 1.4 38 38 A I E +bc 93 131B 0 92,-2.3 94,-0.5 -2,-0.7 56,-0.2 -0.845 51.1 82.5 -98.9 104.3 -22.5 26.5 4.4 39 39 A D E S-b 94 0B 0 54,-2.1 57,-2.1 -2,-0.9 56,-1.6 -0.578 96.3 -31.5-165.6-139.1 -20.3 25.8 7.3 40 40 A T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.2 0.424 96.3 -93.7 -89.6 1.2 -17.4 27.3 9.5 41 41 A G - 0 0 1 52,-0.3 -1,-0.4 -4,-0.1 2,-0.4 -0.588 40.1 -95.1 110.5-177.4 -15.9 29.2 6.5 42 42 A I - 0 0 4 21,-0.5 2,-1.7 -2,-0.2 23,-0.2 -1.000 18.1-125.4-139.7 141.6 -13.2 28.2 4.1 43 43 A E > - 0 0 42 -2,-0.4 3,-2.1 1,-0.2 6,-0.1 -0.672 33.7-174.6 -85.7 86.6 -9.5 29.0 4.0 44 44 A A T 3 S+ 0 0 35 -2,-1.7 7,-0.4 1,-0.3 9,-0.4 0.734 74.1 61.6 -57.5 -27.6 -9.7 30.5 0.6 45 45 A S T 3 S+ 0 0 104 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.419 70.7 122.5 -82.7 -1.5 -5.9 31.0 0.3 46 46 A H X - 0 0 9 -3,-2.1 3,-2.4 1,-0.1 4,-0.4 -0.484 68.4-132.0 -61.5 125.2 -5.2 27.2 0.6 47 47 A P G > S+ 0 0 102 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.744 102.0 69.8 -50.0 -30.3 -3.3 26.3 -2.6 48 48 A E G 3 S+ 0 0 24 1,-0.3 32,-2.5 2,-0.1 34,-0.1 0.614 93.9 57.7 -65.6 -15.2 -5.6 23.3 -3.3 49 49 A F G X S- 0 0 0 -3,-2.4 3,-2.9 30,-0.2 -1,-0.3 0.650 91.4-152.4 -89.7 -15.4 -8.3 25.8 -4.1 50 50 A E T < - 0 0 106 -3,-1.3 -2,-0.1 -4,-0.4 -5,-0.1 0.779 68.0 -60.0 53.1 26.7 -6.2 27.4 -6.8 51 51 A G T 3 S+ 0 0 67 -7,-0.4 -1,-0.3 -5,-0.4 -6,-0.1 0.608 113.4 116.6 79.7 7.7 -8.1 30.6 -6.2 52 52 A R < + 0 0 37 -3,-2.9 38,-3.0 26,-0.1 2,-0.4 0.334 61.7 75.8 -89.2 7.6 -11.5 29.1 -7.1 53 53 A A E +d 90 0B 8 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.927 54.0 168.3-121.4 142.4 -12.8 29.7 -3.5 54 54 A Q E -d 91 0B 67 36,-2.2 38,-2.7 -2,-0.4 2,-0.3 -0.992 35.3-115.2-153.6 154.3 -14.0 32.7 -1.7 55 55 A M E +d 92 0B 41 -2,-0.3 38,-0.1 36,-0.2 3,-0.1 -0.613 31.9 169.3 -80.9 136.0 -15.8 33.9 1.3 56 56 A V E + 0 0 32 36,-2.4 2,-0.3 1,-0.4 37,-0.2 0.546 61.9 6.1-125.5 -22.2 -19.1 35.6 0.5 57 57 A K E -d 93 0B 73 35,-1.2 37,-2.7 6,-0.1 -1,-0.4 -0.945 52.8-171.4-168.3 139.5 -20.7 36.0 3.9 58 58 A T E -d 94 0B 35 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.981 15.7-161.4-129.6 152.3 -20.1 35.6 7.7 59 59 A Y S S+ 0 0 63 35,-1.8 2,-0.2 -2,-0.3 36,-0.1 0.219 77.5 63.1-109.5 10.2 -22.4 35.8 10.6 60 60 A Y S S- 0 0 65 2,-0.3 -2,-0.1 34,-0.2 34,-0.1 -0.506 104.1 -83.6-120.0-170.0 -19.5 36.2 13.1 61 61 A Y S S+ 0 0 234 -2,-0.2 2,-0.3 1,-0.0 -3,-0.0 0.801 112.3 32.0 -68.7 -29.2 -16.7 38.8 13.7 62 62 A S - 0 0 36 2,-0.2 -2,-0.3 1,-0.1 -3,-0.1 -0.926 64.2-143.6-128.9 156.5 -14.5 37.3 11.1 63 63 A S + 0 0 50 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.477 69.5 114.6 -94.2 -3.2 -15.1 35.5 7.8 64 64 A R S S- 0 0 168 -23,-0.1 2,-1.0 1,-0.1 -2,-0.2 -0.322 71.6-123.3 -72.2 145.6 -12.1 33.2 8.6 65 65 A D + 0 0 5 -23,-0.2 -24,-0.1 1,-0.2 -1,-0.1 -0.818 37.3 164.3 -91.2 101.8 -12.3 29.5 9.2 66 66 A G S S+ 0 0 36 -2,-1.0 -1,-0.2 -26,-0.4 -25,-0.1 0.226 73.3 54.7 -98.9 8.6 -10.8 29.1 12.7 67 67 A N S S- 0 0 18 -27,-0.2 146,-0.1 -3,-0.0 -2,-0.1 0.835 86.6-144.1-104.6 -56.0 -12.3 25.6 12.9 68 68 A G S > S+ 0 0 0 144,-0.1 4,-3.1 -27,-0.1 5,-0.2 -0.077 74.0 97.8 114.2 -30.8 -11.2 23.6 9.8 69 69 A H H > S+ 0 0 4 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.928 85.7 49.0 -56.4 -47.9 -14.3 21.6 9.2 70 70 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.860 111.7 47.3 -58.7 -45.2 -15.6 24.0 6.5 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 140,-0.3 0.923 111.9 54.2 -62.8 -43.5 -12.2 24.0 4.7 72 72 A H H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 139,-0.4 0.962 112.5 41.5 -55.0 -52.9 -12.3 20.2 5.0 73 73 A C H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.888 111.7 53.5 -68.6 -37.4 -15.7 20.0 3.3 74 74 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.892 106.7 56.6 -59.5 -39.1 -15.1 22.6 0.7 75 75 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.868 105.2 48.5 -62.1 -41.1 -12.0 20.5 -0.2 76 76 A T H < S+ 0 0 2 -4,-1.4 8,-1.9 1,-0.2 9,-0.2 0.820 112.6 50.4 -69.6 -33.0 -14.0 17.4 -0.8 77 77 A V H < S- 0 0 0 -4,-1.8 8,-2.6 6,-0.2 7,-0.3 0.966 138.9 -17.7 -66.1 -50.4 -16.3 19.3 -3.0 78 78 A G H < S+ 0 0 0 -4,-2.6 -3,-0.2 5,-0.2 -2,-0.2 0.242 81.3 130.8-154.1 26.9 -13.7 20.9 -5.1 79 79 A S X - 0 0 0 -4,-2.7 4,-1.3 -5,-0.2 -30,-0.2 -0.433 63.7-113.0 -74.9 161.1 -10.0 21.1 -4.1 80 80 A R T 4 S+ 0 0 134 -32,-2.5 6,-0.1 1,-0.2 -1,-0.1 0.956 109.5 24.4 -57.3 -51.9 -7.6 19.9 -6.8 81 81 A T T 4 S+ 0 0 31 1,-0.1 -1,-0.2 -33,-0.1 5,-0.0 0.834 134.1 31.9 -87.3 -33.8 -6.3 16.8 -5.0 82 82 A Y T 4 S+ 0 0 34 -7,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.386 97.6 101.1-109.5 5.3 -9.2 16.0 -2.7 83 83 A G < - 0 0 0 -4,-1.3 3,-0.3 1,-0.1 -6,-0.2 -0.613 57.5-149.7-105.6 156.7 -12.2 17.1 -4.6 84 84 A V S S+ 0 0 0 -8,-1.9 2,-0.8 1,-0.3 -6,-0.2 0.890 100.3 38.5 -79.5 -43.7 -14.9 15.6 -6.7 85 85 A A S > S- 0 0 0 -8,-2.6 3,-1.7 -9,-0.2 -1,-0.3 -0.778 73.9-175.4-119.1 82.9 -15.5 18.6 -8.9 86 86 A K T 3 S+ 0 0 17 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.535 77.4 40.4 -59.9 -16.1 -12.0 19.9 -9.4 87 87 A K T 3 S+ 0 0 97 -58,-2.9 -55,-0.4 -59,-0.1 -1,-0.3 0.202 85.6 122.1-119.9 13.8 -12.9 23.0 -11.4 88 88 A T < - 0 0 0 -3,-1.7 2,-0.5 -59,-0.4 -54,-0.2 -0.280 64.2-114.7 -73.9 161.6 -16.0 24.2 -9.6 89 89 A Q E -b 34 0B 60 -56,-1.7 -54,-2.5 -59,-0.3 2,-0.4 -0.841 29.5-151.9 -95.9 132.3 -16.4 27.6 -8.0 90 90 A L E -bd 35 53B 0 -38,-3.0 -36,-2.2 -2,-0.5 2,-0.5 -0.903 11.0-171.3-111.6 132.0 -16.7 27.6 -4.1 91 91 A F E -bd 36 54B 8 -56,-2.2 -54,-3.2 -2,-0.4 2,-0.4 -0.980 14.7-145.9-120.8 127.3 -18.5 30.2 -2.1 92 92 A G E -bd 37 55B 0 -38,-2.7 -36,-2.4 -2,-0.5 -35,-1.2 -0.775 14.2-175.1-100.8 133.9 -18.2 30.1 1.7 93 93 A V E -bd 38 57B 0 -56,-2.5 -54,-2.1 -2,-0.4 2,-1.2 -0.973 16.8-149.2-124.3 109.7 -21.0 31.1 4.0 94 94 A K E +bd 39 58B 3 -37,-2.7 -35,-1.8 -2,-0.5 -54,-0.2 -0.691 40.2 144.9 -87.4 95.7 -19.9 31.0 7.7 95 95 A V + 0 0 0 -56,-1.6 2,-0.4 -2,-1.2 8,-0.2 0.513 60.3 69.1 -99.6 -11.9 -23.0 30.1 9.7 96 96 A L S S- 0 0 11 -57,-2.1 6,-0.2 -3,-0.2 -37,-0.1 -0.851 80.0-126.8-109.5 143.2 -20.9 28.2 12.3 97 97 A D > - 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