==== 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 3I34 . 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) . 10261.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 15.1 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 1 2 2 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 30 0, 0.0 24,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 154.1 -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 -0.998 360.0-166.7-134.8 127.4 -7.6 10.4 -15.2 3 3 X Q E > -A 23 0A 29 20,-2.7 20,-2.4 -2,-0.4 3,-0.6 -0.949 20.3-148.6-111.8 108.4 -6.1 11.4 -11.9 4 4 X T T 3 S+ 0 0 96 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.399 75.3 17.4 -77.7 157.2 -3.9 8.6 -10.6 5 5 X N T 3 S+ 0 0 137 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.876 87.9 168.3 48.1 45.0 -3.4 7.9 -6.9 6 6 X A < - 0 0 9 15,-2.6 -1,-0.1 -3,-0.6 76,-0.1 -0.406 48.4 -79.5 -76.8 159.3 -6.5 9.9 -6.1 7 7 X P >> - 0 0 20 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.313 49.5-112.0 -53.5 145.6 -8.1 9.9 -2.6 8 8 X W H 3> S+ 0 0 26 1,-0.2 4,-2.5 199,-0.2 12,-0.2 0.833 114.3 58.5 -55.9 -35.2 -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,-0.2 0.865 105.2 48.7 -64.9 -39.1 -13.5 8.6 -2.4 10 10 X L H <> S+ 0 0 0 -3,-0.8 4,-0.9 2,-0.2 14,-0.3 0.947 112.9 47.8 -64.7 -48.4 -12.8 10.3 -5.7 11 11 X A H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.895 110.4 54.1 -57.7 -38.5 -11.9 6.9 -7.3 12 12 X R H >< S+ 0 0 4 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.901 101.4 57.4 -64.3 -40.8 -15.0 5.4 -5.7 13 13 X I H 3< S+ 0 0 0 -4,-1.9 262,-3.1 1,-0.3 263,-0.3 0.686 111.9 41.8 -67.2 -18.9 -17.3 8.0 -7.3 14 14 X S T << S+ 0 0 9 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 0.138 105.3 86.0-111.2 21.1 -16.1 7.1 -10.8 15 15 X S < - 0 0 14 -3,-1.7 242,-0.1 -5,-0.1 261,-0.1 -0.944 61.5-152.3-128.6 144.7 -16.0 3.3 -10.3 16 16 X T S S+ 0 0 95 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.458 91.9 42.1 -80.5 -4.8 -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 80.7-119.6-142.4 149.9 -16.2 -1.3 -7.9 18 18 X P S S+ 0 0 56 0, 0.0 168,-0.1 0, 0.0 3,-0.1 -0.316 84.7 56.8 -74.0 167.0 -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 74.7 114.3 88.8 18.2 -10.6 -0.9 -4.4 20 20 X T - 0 0 62 -3,-0.4 -1,-0.3 -12,-0.2 -9,-0.1 -0.784 46.9-158.5-115.9 167.6 -9.3 1.3 -7.2 21 21 X S + 0 0 58 -2,-0.3 -15,-2.6 -10,-0.1 2,-0.5 0.282 58.6 92.2-133.0 8.8 -7.3 4.5 -6.9 22 22 X T - 0 0 24 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.936 60.5-145.1-110.7 130.1 -7.7 6.5 -10.2 23 23 X Y E -A 3 0A 0 -20,-2.4 -20,-2.7 -2,-0.5 2,-0.4 -0.842 14.7-163.7 -93.8 123.2 -10.4 9.1 -10.5 24 24 X Y E +A 2 0A 93 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.928 21.0 150.7-109.0 132.6 -11.9 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 50.3 -91.1-158.2 150.7 -14.0 12.5 -15.0 26 26 X D > - 0 0 50 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.466 40.7-122.5 -64.2 136.5 -14.9 14.6 -17.9 27 27 X E T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.664 104.0 79.9 -58.8 -21.0 -12.4 17.4 -18.4 28 28 X S T > S- 0 0 34 1,-0.1 3,-2.5 2,-0.1 -1,-0.3 0.867 74.8-174.9 -56.6 -36.3 -15.2 20.0 -18.1 29 29 X A T < - 0 0 0 -3,-1.9 58,-2.9 1,-0.3 59,-0.4 0.734 65.7 -52.4 54.5 35.5 -14.8 19.4 -14.4 30 30 X G T > S+ 0 0 0 206,-0.4 3,-2.1 1,-0.2 -1,-0.3 0.608 84.6 167.6 76.7 10.7 -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 -0.340 67.6 23.4 -56.9 135.1 -16.5 24.7 -15.1 32 32 X G T 3 S+ 0 0 24 55,-0.5 93,-2.8 1,-0.4 94,-0.6 0.410 104.6 102.3 87.0 -3.4 -19.3 27.3 -15.1 33 33 X S E < -b 126 0B 1 -3,-2.1 56,-1.8 92,-0.2 -1,-0.4 -0.604 58.2-146.1-100.9 169.5 -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 6.8-163.9-137.2 142.0 -20.8 27.2 -8.5 35 35 X V E -bc 128 90B 0 54,-2.9 56,-2.4 -2,-0.4 2,-0.4 -0.985 8.3-152.8-128.5 122.3 -20.9 25.5 -5.1 36 36 X Y E -bc 129 91B 0 92,-2.9 94,-3.0 -2,-0.4 2,-0.6 -0.767 6.7-154.8 -86.3 134.9 -21.6 27.2 -1.8 37 37 X V E -bc 130 92B 0 54,-2.7 56,-2.4 -2,-0.4 2,-0.8 -0.950 5.3-163.1-113.4 109.7 -20.0 25.6 1.3 38 38 X I E +bc 131 93B 0 92,-2.4 94,-0.7 -2,-0.6 2,-0.2 -0.837 52.6 83.0-100.1 105.1 -22.1 26.5 4.3 39 39 X D E S- c 0 94B 1 54,-2.0 57,-2.1 -2,-0.8 56,-1.4 -0.621 98.1 -32.1-170.0-146.1 -19.8 25.8 7.2 40 40 X T S S- 0 0 0 1,-0.3 26,-0.4 54,-0.2 27,-0.2 0.352 97.7 -94.1 -85.2 5.0 -16.9 27.3 9.2 41 41 X G - 0 0 0 52,-0.3 2,-0.3 -4,-0.2 -1,-0.3 -0.617 38.1 -91.0 110.5-176.0 -15.6 29.1 6.2 42 42 X I - 0 0 4 21,-0.5 2,-1.8 -2,-0.2 3,-0.1 -0.986 17.7-131.9-140.8 130.2 -12.9 28.4 3.5 43 43 X E > - 0 0 43 -2,-0.3 3,-2.0 1,-0.2 6,-0.2 -0.627 31.5-177.2 -77.2 85.7 -9.2 29.2 3.5 44 44 X A T 3 S+ 0 0 31 -2,-1.8 7,-0.5 1,-0.3 9,-0.4 0.741 71.8 66.7 -62.4 -24.9 -9.5 30.6 -0.0 45 45 X S T 3 S+ 0 0 102 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.541 70.2 122.1 -75.1 -7.1 -5.7 31.3 -0.2 46 46 X H X> - 0 0 10 -3,-2.0 3,-2.4 1,-0.2 4,-0.5 -0.380 69.8-131.3 -58.5 127.3 -5.0 27.6 -0.1 47 47 X P G >4 S+ 0 0 103 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.811 103.7 69.7 -49.2 -32.3 -2.9 26.7 -3.3 48 48 X E G 34 S+ 0 0 15 1,-0.2 32,-2.5 2,-0.1 33,-0.1 0.694 93.9 55.5 -60.7 -20.9 -5.3 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 0.629 88.7-153.0 -91.3 -15.4 -8.1 26.2 -4.7 50 50 X E T << - 0 0 101 -3,-1.2 -2,-0.1 -4,-0.5 -5,-0.1 0.708 68.0 -55.2 58.2 26.2 -6.2 28.0 -7.5 51 51 X G T 3 S+ 0 0 66 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.485 117.4 108.7 84.8 1.6 -8.1 31.3 -7.1 52 52 X R < + 0 0 26 -3,-2.6 38,-2.9 -8,-0.1 2,-0.3 0.461 63.2 76.1 -89.8 -3.4 -11.5 29.6 -7.6 53 53 X A E +d 90 0B 6 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.834 52.7 164.3-109.6 148.9 -12.5 30.0 -3.9 54 54 X Q E -d 91 0B 112 36,-1.6 38,-2.9 -2,-0.3 2,-0.4 -0.971 36.6-119.6-155.4 145.9 -13.8 33.1 -2.1 55 55 X M E +d 92 0B 37 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.762 30.4 172.2 -80.8 131.8 -15.6 33.9 1.2 56 56 X V E + 0 0 27 36,-2.7 2,-0.3 -2,-0.4 37,-0.2 0.574 60.4 14.8-115.1 -16.0 -18.9 35.7 0.4 57 57 X K E +d 93 0B 76 35,-1.4 37,-2.9 6,-0.1 -1,-0.3 -0.966 50.9 174.9-161.1 141.7 -20.5 35.9 3.9 58 58 X T E -d 94 0B 37 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.974 19.9-160.8-140.6 156.8 -19.8 35.5 7.6 59 59 X Y S S+ 0 0 72 35,-1.3 2,-0.2 -2,-0.3 36,-0.1 0.211 75.9 70.3-114.2 10.5 -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 -0.597 103.3 -84.5-123.7 178.8 -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 0.724 112.3 24.7 -62.5 -21.2 -16.0 38.8 13.6 62 62 X S - 0 0 52 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.957 59.9-143.7-139.4 158.7 -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 0.453 68.7 115.8 -94.9 -4.4 -14.7 35.3 7.6 64 64 X R S S- 0 0 63 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.366 73.0-122.3 -67.1 141.2 -11.5 33.2 8.1 65 65 X D + 0 0 9 1,-0.1 -24,-0.1 -23,-0.1 -1,-0.1 -0.773 35.8 171.3 -80.0 101.6 -11.9 29.5 8.7 66 66 X G S S+ 0 0 39 -2,-1.1 -1,-0.1 -26,-0.4 -25,-0.1 0.261 73.9 48.7 -94.4 11.1 -10.2 29.1 12.1 67 67 X N S S- 0 0 47 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.782 89.9-136.2-112.0 -56.8 -11.4 25.5 12.4 68 68 X G S > S+ 0 0 0 144,-0.1 4,-2.5 -28,-0.1 5,-0.2 -0.051 76.5 101.7 119.4 -29.2 -10.5 23.7 9.2 69 69 X H H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.916 84.6 45.4 -55.7 -49.0 -13.8 21.8 8.7 70 70 X G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.873 112.5 51.9 -63.0 -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 0.885 110.1 49.6 -64.7 -38.5 -11.9 24.2 4.2 72 72 X H H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 139,-0.4 0.949 112.2 46.7 -65.3 -49.3 -11.8 20.3 4.2 73 73 X C H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.2 0.924 111.8 51.1 -58.9 -47.2 -15.4 20.1 2.8 74 74 X A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.874 106.6 56.2 -57.6 -38.8 -14.6 22.8 0.2 75 75 X G H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.877 105.6 49.9 -61.4 -38.8 -11.6 20.8 -0.8 76 76 X T H < S+ 0 0 0 -4,-1.7 8,-2.2 -3,-0.2 -1,-0.2 0.862 112.8 48.3 -70.9 -33.7 -13.7 17.7 -1.5 77 77 X V H < S- 0 0 0 -4,-1.8 8,-3.0 6,-0.2 -2,-0.2 0.963 138.2 -14.0 -64.6 -52.3 -16.1 19.7 -3.6 78 78 X G H < S+ 0 0 0 -4,-2.6 -3,-0.2 5,-0.2 -2,-0.2 0.320 81.0 131.8-149.9 13.2 -13.5 21.5 -5.8 79 79 X S X - 0 0 0 -4,-1.9 4,-1.5 -5,-0.3 -30,-0.2 -0.380 62.6-115.5 -67.3 156.7 -9.8 21.5 -4.9 80 80 X R T 4 S+ 0 0 133 -32,-2.5 -1,-0.1 1,-0.2 6,-0.1 0.902 109.4 22.0 -61.1 -42.9 -7.4 20.6 -7.7 81 81 X T T 4 S+ 0 0 40 -33,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.864 134.7 32.2 -92.7 -41.2 -6.2 17.4 -6.0 82 82 X Y T 4 S+ 0 0 37 -76,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.429 98.6 101.3-102.2 1.2 -8.9 16.4 -3.5 83 83 X G < - 0 0 0 -4,-1.5 3,-0.3 1,-0.1 -6,-0.2 -0.596 57.9-150.8-101.5 151.7 -12.0 17.6 -5.3 84 84 X V S S+ 0 0 0 -8,-2.2 2,-0.7 1,-0.2 -6,-0.2 0.898 100.3 37.9 -73.4 -45.9 -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 -0.818 72.8-177.5-114.4 87.8 -15.4 19.2 -9.5 86 86 X K T 3 S+ 0 0 9 -2,-0.7 -56,-0.2 -3,-0.3 -1,-0.1 0.496 78.0 41.6 -75.7 -4.9 -12.0 20.6 -10.1 87 87 X K T 3 S+ 0 0 84 -58,-2.9 -55,-0.5 2,-0.1 -1,-0.3 0.270 85.7 117.5-122.6 8.4 -13.0 23.7 -12.1 88 88 X T < - 0 0 0 -3,-1.5 2,-0.4 -59,-0.4 -54,-0.2 -0.284 67.6-113.5 -70.6 160.7 -16.1 24.8 -10.1 89 89 X Q E -c 34 0B 72 -56,-1.8 -54,-2.9 -59,-0.3 2,-0.5 -0.849 30.5-149.4 -92.9 134.5 -16.3 28.2 -8.3 90 90 X L E -cd 35 53B 0 -38,-2.9 -36,-1.6 -2,-0.4 2,-0.5 -0.911 11.4-169.6-112.1 130.4 -16.5 27.9 -4.5 91 91 X F E -cd 36 54B 12 -56,-2.4 -54,-2.7 -2,-0.5 2,-0.4 -0.971 12.6-146.5-122.2 121.0 -18.3 30.3 -2.3 92 92 X G E -cd 37 55B 0 -38,-2.9 -36,-2.7 -2,-0.5 -35,-1.4 -0.720 13.3-175.1 -92.2 133.1 -17.8 30.2 1.5 93 93 X V E -cd 38 57B 0 -56,-2.4 -54,-2.0 -2,-0.4 2,-1.3 -0.963 16.1-150.6-125.2 108.2 -20.6 31.1 3.9 94 94 X K E +cd 39 58B 4 -37,-2.9 -35,-1.3 -2,-0.5 -54,-0.2 -0.669 39.9 144.6 -88.6 91.6 -19.5 31.0 7.5 95 95 X V + 0 0 0 -56,-1.4 2,-0.4 -2,-1.3 -1,-0.2 0.529 61.2 69.5 -96.3 -12.4 -22.5 30.1 9.6 96 96 X L S S- 0 0 8 -57,-2.1 6,-0.2 -3,-0.2 -57,-0.1 -0.889 79.7-130.7-109.4 139.3 -20.4 28.1 12.1 97 97 X D > - 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