==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-MAR-01 1IC6 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR C.BETZEL,S.GOURINATH,P.KUMAR,P.KAUR,M.PERBANDT,S.ESCHENBURG, . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 66.3 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 . 20 7.2 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 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 52 0, 0.0 24,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.9 55.7 58.3 10.1 2 2 A A E -A 24 0A 60 22,-0.2 2,-0.6 2,-0.0 22,-0.2 -0.993 360.0-160.1-143.8 132.9 57.8 59.8 12.8 3 3 A Q E > -A 23 0A 29 20,-2.3 20,-2.6 -2,-0.4 3,-0.7 -0.958 21.3-148.0-111.6 110.0 57.0 61.3 16.2 4 4 A T T 3 S+ 0 0 95 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.451 77.4 14.2 -77.3 150.9 59.8 63.6 17.4 5 5 A N T 3 S+ 0 0 137 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.872 89.9 170.8 52.6 45.4 60.5 63.9 21.1 6 6 A A < - 0 0 10 15,-2.4 -1,-0.1 -3,-0.7 76,-0.1 -0.395 46.6 -78.2 -78.3 162.7 58.4 60.8 21.8 7 7 A P >> - 0 0 19 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.280 50.8-111.9 -52.9 144.2 58.2 59.1 25.2 8 8 A W H 3> S+ 0 0 23 1,-0.3 4,-2.6 199,-0.2 12,-0.1 0.808 114.2 57.9 -55.3 -37.7 61.4 57.0 25.5 9 9 A G H 3> S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.869 105.9 48.1 -64.1 -39.0 59.5 53.7 25.4 10 10 A L H <> S+ 0 0 0 -3,-0.9 4,-0.8 2,-0.2 14,-0.2 0.933 113.2 48.2 -66.3 -46.2 57.9 54.5 22.0 11 11 A A H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.924 110.2 53.5 -57.3 -41.1 61.3 55.5 20.6 12 12 A R H >< S+ 0 0 4 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.879 101.4 58.7 -63.3 -40.4 62.8 52.3 22.1 13 13 A I H 3< S+ 0 0 0 -4,-1.9 262,-3.0 1,-0.3 263,-0.3 0.646 110.6 43.7 -57.0 -28.3 60.2 50.1 20.3 14 14 A S T << S+ 0 0 13 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.3 0.102 106.2 72.2-110.7 25.8 61.4 51.6 17.0 15 15 A S < - 0 0 15 -3,-1.5 242,-0.1 1,-0.1 261,-0.1 -0.979 64.1-145.1-138.1 151.4 65.2 51.4 17.5 16 16 A T S S+ 0 0 84 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.507 91.9 48.6 -87.3 -2.2 67.8 48.8 17.7 17 17 A S S > S- 0 0 53 -5,-0.0 3,-0.5 240,-0.0 -3,-0.1 -0.962 83.5-114.7-137.2 152.7 69.6 50.9 20.3 18 18 A P T 3 S+ 0 0 58 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.351 87.2 50.9 -73.9 162.6 68.7 52.7 23.5 19 19 A G T 3 S+ 0 0 80 166,-0.4 2,-0.1 1,-0.3 167,-0.0 0.462 72.2 126.3 93.4 2.2 68.9 56.5 23.8 20 20 A T < - 0 0 52 -3,-0.5 -1,-0.3 -12,-0.1 -8,-0.1 -0.454 42.0-160.3 -88.9 167.1 66.9 57.7 20.8 21 21 A S + 0 0 60 -2,-0.1 -15,-2.4 -10,-0.1 2,-0.5 0.494 60.1 87.2-129.6 -3.9 64.0 60.1 20.9 22 22 A T - 0 0 25 -17,-0.2 2,-0.7 -18,-0.2 -18,-0.2 -0.860 62.3-145.7-103.8 132.7 62.0 59.6 17.7 23 23 A Y E -A 3 0A 0 -20,-2.6 -20,-2.3 -2,-0.5 2,-0.5 -0.857 17.4-164.6 -94.3 111.9 59.3 57.0 17.4 24 24 A Y E +A 2 0A 116 -2,-0.7 2,-0.3 -22,-0.2 -22,-0.2 -0.848 22.7 148.7 -98.6 130.6 59.3 55.7 13.8 25 25 A Y - 0 0 34 -24,-2.1 2,-0.2 -2,-0.5 -11,-0.0 -0.997 50.7 -90.6-159.3 153.5 56.2 53.7 12.7 26 26 A D > - 0 0 53 -2,-0.3 3,-2.1 1,-0.1 4,-0.1 -0.493 38.1-124.7 -68.4 136.5 54.0 52.9 9.7 27 27 A E T 3 S+ 0 0 138 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.675 102.2 80.3 -57.1 -22.1 51.2 55.4 9.3 28 28 A S T > S- 0 0 30 1,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.869 74.7-174.6 -55.9 -37.1 48.6 52.6 9.3 29 29 A A T < - 0 0 1 -3,-2.1 58,-3.0 1,-0.3 59,-0.4 0.717 65.3 -53.7 55.8 35.2 49.1 52.9 13.1 30 30 A G T > S+ 0 0 0 206,-0.4 3,-2.1 1,-0.2 59,-0.3 0.610 84.7 166.8 75.3 10.8 46.9 49.9 14.1 31 31 A Q T < + 0 0 119 -3,-2.5 -1,-0.2 1,-0.3 57,-0.2 -0.310 66.8 25.0 -58.9 137.7 43.8 51.2 12.2 32 32 A G T 3 S+ 0 0 27 55,-0.5 93,-2.7 1,-0.4 94,-0.5 0.350 102.5 102.9 88.6 -8.1 41.2 48.5 11.9 33 33 A S E < -b 126 0B 1 -3,-2.1 56,-1.8 92,-0.2 2,-0.4 -0.608 59.0-144.9 -96.7 167.4 42.4 46.6 15.0 34 34 A a E -bc 127 89B 3 92,-2.0 94,-2.5 -2,-0.2 2,-0.5 -0.998 7.9-164.7-135.8 136.4 40.8 46.6 18.4 35 35 A V E -bc 128 90B 0 54,-2.9 56,-2.5 -2,-0.4 2,-0.5 -0.980 8.1-153.6-125.3 119.9 42.4 46.5 21.8 36 36 A Y E -bc 129 91B 0 92,-2.9 94,-2.9 -2,-0.5 2,-0.7 -0.810 7.9-155.7 -87.1 125.8 40.5 45.6 25.0 37 37 A V E -bc 130 92B 1 54,-2.9 56,-2.3 -2,-0.5 2,-0.8 -0.936 5.5-162.7-106.3 106.9 42.1 47.2 28.1 38 38 A I E + c 0 93B 0 92,-2.3 94,-0.5 -2,-0.7 2,-0.2 -0.852 51.7 85.8 -97.7 102.9 41.0 45.1 31.0 39 39 A D E S- c 0 94B 0 54,-2.3 57,-2.2 -2,-0.8 56,-1.6 -0.627 96.5 -33.1-167.4-147.4 41.8 47.3 34.0 40 40 A T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.2 0.364 98.1 -92.3 -83.3 4.8 40.3 50.1 36.1 41 41 A G - 0 0 0 52,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.625 38.8 -92.5 110.6-177.9 38.5 51.6 33.1 42 42 A I - 0 0 4 21,-0.5 2,-1.8 -2,-0.2 3,-0.1 -0.979 17.8-132.7-139.0 130.1 39.4 54.2 30.5 43 43 A E > - 0 0 37 -2,-0.3 3,-2.1 1,-0.2 6,-0.2 -0.622 31.4-176.5 -79.0 85.9 38.6 58.0 30.6 44 44 A A T 3 S+ 0 0 31 -2,-1.8 7,-0.4 1,-0.3 9,-0.3 0.748 72.0 66.8 -62.4 -25.6 37.3 57.9 27.0 45 45 A S T 3 + 0 0 102 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.539 69.9 121.8 -72.3 -7.5 36.7 61.6 27.0 46 46 A H X> - 0 0 9 -3,-2.1 3,-2.4 1,-0.2 4,-0.5 -0.372 69.7-131.5 -58.6 131.4 40.5 62.3 27.2 47 47 A P G >4 S+ 0 0 103 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.813 102.9 69.3 -53.6 -31.0 41.4 64.4 24.2 48 48 A E G 34 S+ 0 0 23 1,-0.3 32,-2.5 2,-0.1 34,-0.1 0.673 92.7 57.5 -64.4 -16.9 44.3 62.0 23.6 49 49 A F G X4 S- 0 0 0 -3,-2.4 3,-2.7 30,-0.2 -1,-0.3 0.623 89.8-151.6 -89.3 -16.2 41.9 59.2 22.6 50 50 A E T << - 0 0 108 -3,-1.3 -2,-0.1 -4,-0.5 -5,-0.1 0.777 67.6 -56.3 59.4 28.4 40.3 61.3 19.8 51 51 A G T 3 S+ 0 0 71 -7,-0.4 -1,-0.3 -5,-0.4 -6,-0.1 0.456 117.0 110.8 80.7 3.8 37.0 59.4 20.1 52 52 A R < + 0 0 34 -3,-2.7 38,-2.9 26,-0.1 2,-0.4 0.400 61.9 74.9 -89.8 -1.4 38.7 56.1 19.5 53 53 A A E +d 90 0B 10 -9,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.895 53.4 165.3-110.4 146.8 38.1 54.8 23.1 54 54 A Q E -d 91 0B 81 36,-1.9 38,-2.6 -2,-0.4 2,-0.3 -0.981 35.6-119.2-155.3 145.6 34.9 53.6 24.7 55 55 A M E +d 92 0B 40 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.663 29.8 171.8 -77.2 135.5 33.9 51.7 27.8 56 56 A V E + 0 0 27 36,-2.7 2,-0.3 1,-0.4 37,-0.2 0.535 62.2 14.0-120.5 -15.4 32.1 48.5 27.0 57 57 A K E -d 93 0B 76 35,-1.4 37,-2.8 6,-0.1 -1,-0.4 -0.939 52.6-173.8-161.7 140.8 31.7 46.8 30.4 58 58 A T E -d 94 0B 39 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.996 15.1-165.5-135.1 143.7 32.0 47.5 34.0 59 59 A Y S S+ 0 0 70 35,-2.2 2,-0.2 -2,-0.4 36,-0.1 0.134 76.3 65.7-103.3 10.1 31.8 45.2 37.0 60 60 A Y S S- 0 0 63 2,-0.3 -2,-0.1 34,-0.1 34,-0.1 -0.681 104.0 -83.5-123.5-175.2 31.5 48.1 39.4 61 61 A Y S S+ 0 0 242 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.795 110.9 22.1 -64.0 -32.7 28.9 50.9 40.2 62 62 A S - 0 0 59 2,-0.2 -2,-0.3 1,-0.0 -3,-0.1 -0.892 65.4-134.2-130.9 161.1 30.2 53.1 37.4 63 63 A S S S+ 0 0 54 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.489 71.2 118.7 -88.9 -3.2 32.2 52.7 34.2 64 64 A R S S- 0 0 146 -23,-0.1 2,-1.1 1,-0.1 -2,-0.2 -0.339 70.5-126.5 -65.9 139.9 34.4 55.7 35.2 65 65 A D + 0 0 2 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.763 34.2 172.9 -80.7 100.6 38.1 55.1 35.7 66 66 A G S S+ 0 0 20 -2,-1.1 -1,-0.2 -26,-0.4 -25,-0.1 0.320 72.6 47.0 -90.9 7.7 38.4 56.6 39.2 67 67 A N S S- 0 0 42 -27,-0.2 -1,-0.1 30,-0.0 146,-0.1 0.787 89.1-135.4-110.5 -55.7 42.0 55.5 39.5 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.5 -28,-0.1 5,-0.2 -0.055 76.8 101.8 116.7 -30.1 44.0 56.4 36.4 69 69 A H H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.915 84.6 45.0 -56.5 -47.2 45.9 53.1 35.9 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.884 112.5 51.9 -66.0 -37.2 43.6 51.8 33.1 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 140,-0.3 0.887 110.2 49.8 -63.9 -39.0 43.6 55.2 31.4 72 72 A H H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 139,-0.3 0.955 112.6 45.7 -64.6 -49.2 47.5 55.2 31.5 73 73 A C H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.931 112.4 51.0 -61.0 -45.5 47.7 51.7 30.1 74 74 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.882 107.2 55.4 -58.7 -38.0 45.1 52.5 27.4 75 75 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.866 105.9 50.2 -64.4 -36.1 47.2 55.6 26.5 76 76 A T H < S+ 0 0 0 -4,-1.9 8,-2.4 -3,-0.2 9,-0.2 0.855 113.8 46.9 -71.5 -32.4 50.3 53.5 25.9 77 77 A V H < S- 0 0 0 -4,-2.0 8,-2.8 6,-0.2 -2,-0.2 0.963 138.9 -12.7 -64.1 -52.8 48.3 51.2 23.7 78 78 A G H < S+ 0 0 0 -4,-2.7 -3,-0.2 5,-0.2 -2,-0.2 0.334 82.6 127.9-148.7 13.8 46.6 53.8 21.6 79 79 A S X - 0 0 0 -4,-2.0 4,-1.5 -5,-0.3 -30,-0.2 -0.375 63.4-115.0 -71.5 160.3 46.6 57.4 22.6 80 80 A R T 4 S+ 0 0 137 -32,-2.5 6,-0.1 1,-0.2 -1,-0.1 0.956 108.9 22.8 -56.9 -56.6 47.8 59.9 20.0 81 81 A T T 4 S+ 0 0 25 1,-0.1 -1,-0.2 -33,-0.1 5,-0.0 0.823 135.0 32.3 -84.7 -33.8 50.9 61.2 21.8 82 82 A Y T 4 S+ 0 0 34 -7,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.443 97.0 101.5-107.1 -1.4 51.7 58.3 24.1 83 83 A G < - 0 0 0 -4,-1.5 3,-0.3 1,-0.1 -6,-0.2 -0.577 57.1-150.9 -97.8 152.1 50.5 55.2 22.2 84 84 A V S S+ 0 0 0 -8,-2.4 2,-0.7 1,-0.2 -6,-0.2 0.884 101.4 37.9 -73.6 -46.0 52.1 52.6 20.1 85 85 A A S > S- 0 0 0 -8,-2.8 3,-1.6 -9,-0.2 -1,-0.2 -0.814 74.5-177.7-113.1 84.1 49.1 52.0 17.8 86 86 A K T 3 S+ 0 0 14 -2,-0.7 -56,-0.2 -3,-0.3 -1,-0.1 0.545 77.1 41.3 -72.8 -6.8 47.8 55.5 17.4 87 87 A K T 3 S+ 0 0 74 -58,-3.0 -55,-0.5 2,-0.1 -1,-0.3 0.238 86.3 118.6-122.1 11.5 44.8 54.7 15.2 88 88 A T < - 0 0 1 -3,-1.6 2,-0.5 -59,-0.4 -54,-0.2 -0.241 67.1-112.4 -71.8 164.9 43.5 51.5 17.0 89 89 A Q E -c 34 0B 53 -56,-1.8 -54,-2.9 -59,-0.3 2,-0.4 -0.888 30.8-151.5 -95.1 132.2 40.1 51.2 18.6 90 90 A L E -cd 35 53B 0 -38,-2.9 -36,-1.9 -2,-0.5 2,-0.5 -0.888 10.2-169.1-110.6 133.6 40.2 50.9 22.4 91 91 A F E -cd 36 54B 7 -56,-2.5 -54,-2.9 -2,-0.4 2,-0.4 -0.983 13.1-144.7-121.8 126.0 37.6 49.2 24.5 92 92 A G E -cd 37 55B 0 -38,-2.6 -36,-2.7 -2,-0.5 -35,-1.4 -0.774 15.2-177.5 -97.6 131.8 37.5 49.5 28.3 93 93 A V E -cd 38 57B 0 -56,-2.3 -54,-2.3 -2,-0.4 2,-1.2 -0.967 18.5-148.7-124.9 109.1 36.5 46.6 30.5 94 94 A K E +cd 39 58B 2 -37,-2.8 -35,-2.2 -2,-0.5 -54,-0.2 -0.668 41.7 142.7 -89.1 95.4 36.5 47.7 34.2 95 95 A V + 0 0 0 -56,-1.6 2,-0.4 -2,-1.2 -55,-0.2 0.507 59.3 70.9-102.3 -11.5 37.5 44.6 36.3 96 96 A L S S- 0 0 8 -57,-2.2 6,-0.2 -3,-0.2 -57,-0.1 -0.883 79.7-126.9-110.5 141.3 39.5 46.6 38.8 97 97 A D > - 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