==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-09 3I37 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITIRACHIUM ALBUM; . AUTHOR E.PECHKOVA,S.K.TRIPATHI,R.RAVELLI,S.MCSWEENEY,C.NICOLINI . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10330.0 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 . 21 7.5 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 X A 0 0 32 0, 0.0 24,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 153.1 -9.4 12.7 -17.7 2 2 X A E -A 24 0A 65 22,-0.2 2,-0.6 277,-0.0 22,-0.2 -0.996 360.0-166.4-132.1 127.7 -7.6 10.4 -15.2 3 3 X Q E > -A 23 0A 31 20,-2.7 20,-2.3 -2,-0.4 3,-0.6 -0.944 20.0-149.0-110.8 107.8 -6.1 11.4 -11.9 4 4 X T T 3 S+ 0 0 98 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.396 75.6 17.3 -77.1 155.7 -3.9 8.6 -10.6 5 5 X N T 3 S+ 0 0 139 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.870 88.5 168.6 49.9 43.1 -3.4 7.9 -6.9 6 6 X A < - 0 0 9 15,-2.5 -1,-0.1 -3,-0.6 76,-0.1 -0.388 48.1 -79.6 -75.4 158.5 -6.5 9.9 -6.1 7 7 X P >> - 0 0 21 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.321 49.0-112.3 -53.9 145.2 -8.1 9.9 -2.7 8 8 X W H 3> S+ 0 0 25 1,-0.3 4,-2.5 199,-0.2 12,-0.2 0.824 114.5 58.2 -55.8 -34.7 -10.2 6.7 -2.4 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.862 105.4 48.3 -65.7 -38.2 -13.5 8.6 -2.4 10 10 X L H <> S+ 0 0 0 -3,-0.9 4,-0.9 2,-0.2 14,-0.3 0.943 112.9 48.0 -65.9 -47.4 -12.8 10.2 -5.7 11 11 X A H >< S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.902 110.7 53.8 -57.7 -38.6 -11.8 6.9 -7.3 12 12 X R H >< S+ 0 0 5 -4,-2.5 3,-1.7 -5,-0.2 -1,-0.2 0.898 101.4 57.0 -64.6 -41.4 -15.0 5.4 -5.8 13 13 X I H 3< S+ 0 0 0 -4,-1.9 262,-3.1 1,-0.3 263,-0.3 0.679 111.8 42.3 -69.7 -15.8 -17.3 7.9 -7.3 14 14 X S T << S+ 0 0 8 -4,-0.9 2,-0.4 -3,-0.8 -1,-0.3 0.131 105.1 86.0-111.3 21.1 -16.1 7.1 -10.8 15 15 X S < - 0 0 14 -3,-1.7 242,-0.1 1,-0.1 261,-0.1 -0.942 62.1-151.8-128.7 144.4 -16.0 3.3 -10.4 16 16 X T S S+ 0 0 97 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.475 91.8 42.8 -80.8 -4.7 -18.4 0.4 -10.6 17 17 X S S S- 0 0 50 -5,-0.1 3,-0.4 240,-0.0 -3,-0.1 -0.994 80.3-120.4-141.2 149.1 -16.2 -1.3 -8.0 18 18 X P S S+ 0 0 57 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.314 84.9 57.2 -72.7 167.8 -14.4 -0.5 -4.7 19 19 X G S S+ 0 0 74 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.659 74.7 114.7 88.5 18.2 -10.6 -1.0 -4.5 20 20 X T - 0 0 61 -3,-0.4 -1,-0.3 -12,-0.2 -9,-0.1 -0.777 47.2-157.9-116.3 168.6 -9.3 1.3 -7.2 21 21 X S + 0 0 60 -2,-0.3 -15,-2.5 -10,-0.1 2,-0.5 0.287 59.2 91.0-132.9 7.9 -7.2 4.4 -7.0 22 22 X T - 0 0 23 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.937 60.1-145.4-112.5 131.1 -7.7 6.4 -10.2 23 23 X Y E -A 3 0A 0 -20,-2.3 -20,-2.7 -2,-0.5 2,-0.4 -0.848 14.7-164.1 -94.8 124.5 -10.4 9.1 -10.5 24 24 X Y E +A 2 0A 94 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.936 20.9 150.4-111.0 132.3 -12.0 9.4 -14.0 25 25 X Y - 0 0 30 -24,-1.8 2,-0.2 -2,-0.4 -11,-0.0 -0.994 50.1 -89.7-158.5 152.2 -14.0 12.5 -15.0 26 26 X D > - 0 0 49 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.462 40.0-123.5 -65.0 136.2 -15.0 14.6 -17.9 27 27 X E T 3 S+ 0 0 109 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.671 103.5 79.8 -58.5 -21.6 -12.5 17.5 -18.4 28 28 X S T > S- 0 0 37 1,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.869 74.9-175.0 -56.6 -35.9 -15.2 20.1 -18.1 29 29 X A T < - 0 0 0 -3,-1.9 58,-2.9 1,-0.3 59,-0.4 0.734 65.3 -53.2 54.1 34.7 -14.9 19.4 -14.4 30 30 X G T > S+ 0 0 0 206,-0.4 3,-2.0 1,-0.2 -1,-0.3 0.608 84.1 167.4 77.2 11.5 -17.7 21.6 -13.2 31 31 X Q T < + 0 0 128 -3,-2.5 -1,-0.2 1,-0.3 57,-0.2 -0.348 67.5 23.3 -58.7 135.3 -16.5 24.7 -15.0 32 32 X G T 3 S+ 0 0 25 55,-0.5 93,-2.8 1,-0.4 94,-0.6 0.413 104.2 102.6 87.7 -3.2 -19.3 27.4 -15.1 33 33 X S E < -b 126 0B 1 -3,-2.0 56,-1.7 92,-0.2 -1,-0.4 -0.604 58.3-145.5-100.9 169.5 -21.0 26.0 -12.0 34 34 X a E -bc 127 89B 0 92,-1.8 94,-2.3 -2,-0.2 2,-0.5 -0.999 7.2-164.4-136.8 140.9 -20.9 27.3 -8.4 35 35 X V E -bc 128 90B 0 54,-2.8 56,-2.4 -2,-0.4 2,-0.4 -0.985 8.9-152.5-127.8 122.1 -20.9 25.5 -5.1 36 36 X Y E -bc 129 91B 0 92,-2.9 94,-3.1 -2,-0.5 2,-0.6 -0.775 6.0-156.1 -85.8 133.0 -21.7 27.3 -1.8 37 37 X V E -bc 130 92B 0 54,-2.7 56,-2.3 -2,-0.4 2,-0.8 -0.947 5.5-163.6-112.7 108.5 -20.1 25.7 1.2 38 38 X I E + c 0 93B 0 92,-2.3 94,-0.5 -2,-0.6 56,-0.2 -0.835 51.9 84.1 -99.5 104.4 -22.1 26.7 4.3 39 39 X D E S- c 0 94B 1 54,-2.2 57,-2.2 -2,-0.8 56,-1.4 -0.605 97.3 -31.9-168.6-147.1 -19.8 25.9 7.1 40 40 X T S S- 0 0 0 1,-0.3 26,-0.4 54,-0.2 27,-0.2 0.369 98.3 -93.5 -83.1 4.6 -16.9 27.3 9.2 41 41 X G - 0 0 0 52,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.618 37.8 -91.9 110.9-177.7 -15.5 29.2 6.1 42 42 X I - 0 0 4 21,-0.5 2,-1.7 -2,-0.2 3,-0.1 -0.988 19.9-130.1-139.6 130.1 -13.0 28.4 3.4 43 43 X E > - 0 0 40 -2,-0.4 3,-1.9 1,-0.2 6,-0.2 -0.631 30.2-175.5 -76.1 88.4 -9.3 29.2 3.4 44 44 X A T 3 S+ 0 0 34 -2,-1.7 7,-0.5 1,-0.3 9,-0.3 0.762 73.4 65.8 -62.1 -26.1 -9.4 30.7 -0.0 45 45 X S T 3 S+ 0 0 102 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.563 70.5 120.9 -74.2 -8.9 -5.6 31.3 -0.1 46 46 X H X> - 0 0 10 -3,-1.9 3,-2.4 1,-0.2 4,-0.5 -0.372 68.5-134.0 -59.6 126.1 -5.0 27.6 -0.1 47 47 X P G >4 S+ 0 0 104 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.800 101.9 70.7 -51.3 -29.3 -3.0 26.7 -3.3 48 48 X E G 34 S+ 0 0 26 1,-0.2 32,-2.6 2,-0.1 33,-0.1 0.704 94.1 54.4 -61.4 -20.6 -5.4 23.8 -3.8 49 49 X F G X4 S- 0 0 0 -3,-2.4 3,-2.6 30,-0.2 -1,-0.2 0.624 90.3-150.9 -91.6 -15.1 -8.2 26.2 -4.7 50 50 X E T << - 0 0 96 -3,-1.1 -2,-0.1 -4,-0.5 -5,-0.1 0.762 68.0 -56.5 56.2 30.7 -6.2 28.0 -7.5 51 51 X G T 3 S+ 0 0 61 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.478 116.8 110.4 80.8 1.7 -8.1 31.3 -6.9 52 52 X R < + 0 0 22 -3,-2.6 38,-2.9 -8,-0.1 2,-0.3 0.472 62.8 75.5 -88.3 -3.8 -11.5 29.6 -7.5 53 53 X A E +d 90 0B 5 -9,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.843 53.9 164.0-108.1 147.7 -12.6 29.9 -3.9 54 54 X Q E -d 91 0B 103 36,-1.7 38,-2.8 -2,-0.3 2,-0.4 -0.975 36.5-118.2-154.9 147.9 -13.8 33.1 -2.1 55 55 X M E +d 92 0B 41 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.748 30.3 171.4 -81.0 132.8 -15.6 34.0 1.1 56 56 X V E + 0 0 27 36,-2.8 2,-0.3 -2,-0.4 37,-0.2 0.543 60.8 15.3-116.7 -13.8 -18.9 35.8 0.4 57 57 X K E +d 93 0B 74 35,-1.3 37,-2.9 6,-0.1 -1,-0.3 -0.960 50.6 175.8-162.9 140.7 -20.5 36.0 3.9 58 58 X T E -d 94 0B 39 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.976 19.5-161.2-140.1 155.5 -19.8 35.6 7.6 59 59 X Y S S+ 0 0 70 35,-1.4 2,-0.2 -2,-0.3 36,-0.1 0.214 76.6 69.3-112.6 10.4 -21.9 36.1 10.7 60 60 X Y S S- 0 0 34 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.574 103.4 -85.0-124.3-178.9 -18.9 36.4 13.0 61 61 X Y S S+ 0 0 234 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.693 111.7 25.9 -70.0 -15.2 -16.0 38.8 13.6 62 62 X S - 0 0 56 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.970 59.8-143.7-141.3 157.5 -14.0 37.2 10.8 63 63 X S + 0 0 52 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.433 68.3 119.2 -92.8 -3.0 -14.6 35.3 7.5 64 64 X R S S- 0 0 60 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.361 70.5-125.8 -65.3 137.8 -11.5 33.2 8.3 65 65 X D + 0 0 9 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.760 35.7 169.8 -80.2 99.5 -11.9 29.5 8.7 66 66 X G S S+ 0 0 37 -2,-1.1 -1,-0.2 -26,-0.4 -25,-0.1 0.252 72.7 48.9 -93.3 11.1 -10.2 29.1 12.1 67 67 X N S S- 0 0 46 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.777 89.1-136.8-111.7 -56.7 -11.4 25.5 12.4 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.6 -28,-0.1 5,-0.2 -0.060 76.1 102.0 118.6 -29.9 -10.6 23.6 9.1 69 69 X H H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.915 84.8 45.1 -55.1 -48.6 -13.9 21.8 8.7 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.878 112.6 51.7 -64.0 -38.7 -15.2 24.1 6.0 71 71 X T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 140,-0.3 0.886 109.8 50.1 -64.4 -39.4 -11.9 24.1 4.2 72 72 X H H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 139,-0.4 0.954 112.4 46.2 -63.8 -50.0 -11.9 20.3 4.2 73 73 X C H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.2 0.926 111.9 51.0 -59.4 -46.6 -15.4 20.1 2.8 74 74 X A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.875 106.7 56.4 -58.8 -37.6 -14.7 22.8 0.2 75 75 X G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.880 105.5 49.8 -61.5 -39.2 -11.6 20.8 -0.8 76 76 X T H < S+ 0 0 1 -4,-1.7 8,-2.2 -3,-0.2 -1,-0.2 0.859 113.1 48.1 -70.4 -33.3 -13.7 17.7 -1.5 77 77 X V H < S- 0 0 0 -4,-1.9 8,-3.0 6,-0.2 -2,-0.2 0.967 137.7 -13.0 -65.1 -52.4 -16.1 19.7 -3.6 78 78 X G H < S+ 0 0 0 -4,-2.7 -3,-0.2 5,-0.2 -2,-0.2 0.316 81.2 131.0-148.3 12.9 -13.6 21.5 -5.8 79 79 X S X - 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -30,-0.2 -0.391 62.5-115.9 -69.9 157.2 -9.9 21.4 -4.9 80 80 X R T 4 S+ 0 0 147 -32,-2.6 -1,-0.1 1,-0.2 6,-0.1 0.900 109.5 21.3 -60.5 -43.4 -7.5 20.5 -7.7 81 81 X T T 4 S+ 0 0 34 -33,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.859 135.2 32.5 -93.1 -40.7 -6.2 17.3 -6.0 82 82 X Y T 4 S+ 0 0 37 -76,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.436 98.6 101.0-102.2 0.7 -8.9 16.4 -3.5 83 83 X G < - 0 0 0 -4,-1.6 3,-0.3 1,-0.1 -6,-0.2 -0.597 57.8-151.0-101.1 151.1 -12.0 17.7 -5.3 84 84 X V S S+ 0 0 0 -8,-2.2 2,-0.7 1,-0.2 -6,-0.2 0.897 100.1 38.1 -73.3 -46.2 -14.8 16.1 -7.4 85 85 X A S > S- 0 0 0 -8,-3.0 3,-1.5 -9,-0.2 -1,-0.2 -0.823 73.2-176.9-113.9 87.8 -15.5 19.2 -9.5 86 86 X K T 3 S+ 0 0 8 -2,-0.7 -56,-0.2 -3,-0.3 -1,-0.1 0.495 78.2 41.0 -75.6 -4.9 -12.0 20.6 -10.1 87 87 X K T 3 S+ 0 0 86 -58,-2.9 -55,-0.5 2,-0.1 -1,-0.3 0.248 85.7 118.6-123.3 10.7 -13.0 23.7 -12.0 88 88 X T < - 0 0 0 -3,-1.5 2,-0.5 -59,-0.4 -54,-0.2 -0.301 66.9-114.1 -71.3 160.8 -16.1 24.8 -10.1 89 89 X Q E -c 34 0B 70 -56,-1.7 -54,-2.8 -59,-0.3 2,-0.5 -0.859 30.2-149.6 -93.8 133.3 -16.3 28.2 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.9 -36,-1.7 -2,-0.5 2,-0.5 -0.899 11.2-169.1-110.8 130.1 -16.5 27.9 -4.5 91 91 X F E -cd 36 54B 10 -56,-2.4 -54,-2.7 -2,-0.5 2,-0.4 -0.975 12.3-147.0-120.8 122.4 -18.3 30.4 -2.3 92 92 X G E -cd 37 55B 0 -38,-2.8 -36,-2.8 -2,-0.5 -35,-1.3 -0.744 13.3-175.4 -93.2 133.3 -17.8 30.2 1.5 93 93 X V E -cd 38 57B 0 -56,-2.3 -54,-2.2 -2,-0.4 2,-1.3 -0.968 17.0-149.2-125.4 109.2 -20.6 31.2 3.9 94 94 X K E +cd 39 58B 5 -37,-2.9 -35,-1.4 -2,-0.5 -54,-0.2 -0.664 41.1 144.0 -88.1 91.0 -19.4 31.1 7.5 95 95 X V + 0 0 0 -56,-1.4 2,-0.4 -2,-1.3 -1,-0.2 0.526 61.2 69.0 -96.5 -12.6 -22.5 30.2 9.6 96 96 X L S S- 0 0 11 -57,-2.2 6,-0.2 -3,-0.2 -57,-0.1 -0.897 79.8-130.7-110.2 138.4 -20.3 28.1 12.0 97 97 X D > - 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