==== 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 3I2Y . 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) . 10270.0 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 31 0, 0.0 24,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.9 -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 -0.997 360.0-166.4-132.3 128.0 -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 -0.946 20.0-148.8-111.0 107.9 -6.1 11.4 -11.9 4 4 X T T 3 S+ 0 0 97 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.395 75.7 17.3 -77.0 155.7 -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 88.4 168.6 49.9 42.9 -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 48.2 -79.7 -75.2 158.5 -6.5 9.9 -6.1 7 7 X P >> - 0 0 20 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.323 49.0-112.1 -53.9 145.2 -8.1 9.9 -2.7 8 8 X W H 3> S+ 0 0 26 1,-0.3 4,-2.5 199,-0.2 12,-0.2 0.825 114.5 58.2 -55.5 -34.8 -10.2 6.7 -2.4 9 9 X G H 3> S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.864 105.4 48.3 -65.8 -38.3 -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 0.944 113.0 48.1 -65.8 -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 0.901 110.6 53.7 -57.5 -38.8 -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 0.900 101.4 57.6 -64.5 -41.5 -15.0 5.4 -5.8 13 13 X I H 3< S+ 0 0 0 -4,-2.0 262,-3.0 1,-0.3 263,-0.3 0.688 111.8 41.7 -66.8 -18.4 -17.3 8.0 -7.3 14 14 X S T << S+ 0 0 8 -4,-0.9 2,-0.4 -3,-0.8 -1,-0.3 0.127 105.2 86.3-111.5 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 61.8-152.0-128.5 144.4 -16.0 3.3 -10.4 16 16 X T S S+ 0 0 96 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.465 91.7 42.9 -81.3 -4.2 -18.4 0.4 -10.6 17 17 X S S S- 0 0 51 -5,-0.1 3,-0.4 240,-0.0 -3,-0.1 -0.995 80.3-120.5-141.5 149.1 -16.2 -1.3 -8.0 18 18 X P S S+ 0 0 56 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.311 84.9 57.2 -73.0 167.8 -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 0.660 74.7 114.8 88.5 18.1 -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 -0.776 47.1-157.9-116.1 168.4 -9.3 1.3 -7.2 21 21 X S + 0 0 59 -2,-0.3 -15,-2.5 -10,-0.1 2,-0.5 0.285 59.2 91.0-133.1 8.5 -7.3 4.4 -7.0 22 22 X T - 0 0 23 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.938 60.2-145.4-112.6 130.9 -7.7 6.5 -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 14.7-164.0 -94.7 124.6 -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 -0.937 20.9 150.5-111.2 132.2 -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 -0.995 50.1 -89.7-158.4 152.3 -14.0 12.5 -15.0 26 26 X D > - 0 0 50 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.468 40.1-123.6 -65.2 136.3 -15.0 14.6 -17.9 27 27 X E T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.670 103.5 79.9 -58.7 -21.5 -12.4 17.5 -18.4 28 28 X S T > S- 0 0 39 1,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.868 74.8-175.0 -56.6 -36.0 -15.2 20.1 -18.1 29 29 X A T < - 0 0 0 -3,-2.0 58,-2.9 1,-0.3 59,-0.4 0.732 65.4 -53.1 54.4 34.5 -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 0.609 84.1 167.6 77.3 11.3 -17.7 21.6 -13.2 31 31 X Q T < + 0 0 127 -3,-2.5 -1,-0.2 1,-0.3 57,-0.2 -0.347 67.5 23.2 -57.9 134.9 -16.5 24.7 -15.0 32 32 X G T 3 S+ 0 0 24 55,-0.5 93,-2.8 1,-0.4 94,-0.6 0.415 104.3 102.7 87.6 -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 -0.603 58.3-145.6-100.9 169.5 -21.0 25.9 -12.0 34 34 X a E -bc 127 89B 0 92,-1.8 94,-2.3 -2,-0.2 2,-0.4 -0.999 7.1-164.3-136.9 141.0 -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 8.8-152.5-127.7 122.3 -20.9 25.5 -5.1 36 36 X Y E -bc 129 91B 0 92,-2.9 94,-3.1 -2,-0.4 2,-0.6 -0.776 6.0-156.1 -86.1 133.2 -21.7 27.3 -1.8 37 37 X V E -bc 130 92B 1 54,-2.7 56,-2.3 -2,-0.4 2,-0.8 -0.947 5.5-163.6-112.7 108.4 -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 -99.4 104.4 -22.1 26.7 4.3 39 39 X D E S- c 0 94B 0 54,-2.2 57,-2.2 -2,-0.8 56,-1.4 -0.604 97.2 -32.0-168.7-147.3 -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 0.367 98.2 -93.4 -83.3 5.0 -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 -0.619 37.9 -92.0 110.8-177.8 -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 -0.987 19.8-130.2-139.4 130.1 -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 30.2-175.7 -76.0 88.3 -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 0.760 73.3 65.9 -62.2 -25.9 -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 0.564 70.5 120.8 -74.2 -9.0 -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 -0.373 68.6-133.9 -59.6 126.3 -5.0 27.6 -0.1 47 47 X P G >4 S+ 0 0 104 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.798 101.9 70.7 -51.3 -29.5 -3.0 26.7 -3.3 48 48 X E G 34 S+ 0 0 25 1,-0.2 32,-2.5 2,-0.1 33,-0.1 0.702 94.1 54.4 -61.1 -20.7 -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 0.623 90.2-150.9 -91.8 -14.9 -8.2 26.2 -4.7 50 50 X E T << - 0 0 98 -3,-1.2 -2,-0.1 -4,-0.5 -5,-0.1 0.761 68.0 -56.5 56.0 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 0.476 116.9 110.4 80.9 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 0.473 62.7 75.4 -88.3 -4.1 -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 -0.844 53.9 164.2-108.0 147.5 -12.6 29.9 -3.9 54 54 X Q E -d 91 0B 101 36,-1.7 38,-2.8 -2,-0.3 2,-0.4 -0.975 36.5-118.3-154.5 148.0 -13.8 33.1 -2.1 55 55 X M E +d 92 0B 42 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.748 30.4 171.3 -80.8 132.8 -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 0.547 60.7 15.5-116.8 -14.0 -18.8 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 -0.961 50.6 175.7-162.7 140.4 -20.4 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 -0.975 19.5-161.2-139.5 155.8 -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 0.213 76.6 69.2-112.7 10.5 -21.9 36.1 10.7 60 60 X Y S S- 0 0 35 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.579 103.5 -85.0-124.4-178.9 -18.9 36.4 13.0 61 61 X Y S S+ 0 0 235 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.690 111.7 25.9 -69.8 -14.9 -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 59.7-143.8-141.7 157.5 -14.1 37.2 10.8 63 63 X S + 0 0 51 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.435 68.2 119.1 -92.9 -3.4 -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 -0.358 70.5-125.6 -64.7 137.7 -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 -0.761 35.8 169.9 -80.3 99.6 -11.9 29.5 8.7 66 66 X G S S+ 0 0 38 -2,-1.1 -1,-0.2 -26,-0.4 -25,-0.1 0.253 72.7 48.8 -93.3 11.1 -10.2 29.1 12.1 67 67 X N S S- 0 0 45 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.777 89.2-136.8-111.8 -56.6 -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 -0.050 76.1 101.5 118.5 -28.7 -10.6 23.6 9.2 69 69 X H H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 84.7 45.6 -60.1 -44.2 -13.8 21.7 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 51.6 -64.1 -39.1 -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 0.885 109.8 50.0 -64.4 -39.3 -11.9 24.1 4.2 72 72 X H H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 139,-0.4 0.954 112.4 46.2 -63.6 -50.2 -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 0.926 111.8 51.1 -59.3 -46.7 -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 0.874 106.7 56.3 -58.8 -37.5 -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 0.879 105.5 49.9 -61.4 -39.3 -11.6 20.8 -0.8 76 76 X T H < S+ 0 0 1 -4,-1.8 8,-2.2 -3,-0.2 -1,-0.2 0.859 113.1 48.2 -70.3 -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 -13.2 -65.3 -52.2 -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 81.2 131.2-148.6 13.2 -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 -0.389 62.4-115.8 -69.8 157.1 -9.9 21.4 -4.9 80 80 X R T 4 S+ 0 0 145 -32,-2.5 -1,-0.1 1,-0.2 6,-0.1 0.899 109.5 21.3 -60.3 -43.5 -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 0.859 135.1 32.5 -93.3 -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 0.431 98.6 101.1-102.4 0.8 -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 -0.599 57.8-151.0-101.2 151.1 -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 0.898 100.1 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 -0.824 73.2-176.9-113.9 87.9 -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 0.491 78.2 40.9 -75.7 -5.0 -12.0 20.6 -10.1 87 87 X K T 3 S+ 0 0 82 -58,-2.9 -55,-0.5 2,-0.1 -1,-0.3 0.246 85.7 118.6-123.3 10.9 -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 -0.303 66.9-114.1 -71.4 161.0 -16.1 24.8 -10.1 89 89 X Q E -c 34 0B 68 -56,-1.7 -54,-2.8 -59,-0.3 2,-0.5 -0.858 30.2-149.6 -94.0 133.4 -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 11.2-169.2-111.0 130.2 -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 -0.974 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 17.0-149.3-125.5 108.9 -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 41.0 144.1 -87.7 90.8 -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 0.524 61.2 69.1 -96.2 -12.6 -22.5 30.2 9.6 96 96 X L S S- 0 0 8 -57,-2.2 6,-0.2 -3,-0.2 -57,-0.1 -0.897 79.9-130.6-110.1 138.6 -20.3 28.1 12.0 97 97 X D > - 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