==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAY-10 3AJ8 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITIRACHIUM ALBUM; . AUTHOR T.CHATAKE,T.ISHIKAWA,Y.MORIMOTO . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 14.7 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 3 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 47 0, 0.0 24,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.3 -12.6 -9.4 7.9 2 2 A A E -A 24 0A 65 22,-0.2 2,-0.6 20,-0.0 22,-0.2 -0.996 360.0-165.9-130.3 129.8 -10.4 -7.5 10.5 3 3 A Q E > -A 23 0A 30 20,-2.6 20,-2.2 -2,-0.4 3,-0.6 -0.953 22.1-147.4-111.5 108.7 -11.4 -6.1 13.8 4 4 A T T 3 S+ 0 0 96 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.392 75.8 16.2 -76.5 155.4 -8.7 -3.7 15.0 5 5 A N T 3 S+ 0 0 137 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.879 88.7 169.2 48.7 45.2 -7.9 -3.3 18.7 6 6 A A < - 0 0 9 15,-2.4 -1,-0.1 -3,-0.6 76,-0.1 -0.404 47.4 -79.2 -76.7 158.5 -9.9 -6.4 19.5 7 7 A P >> - 0 0 18 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.304 49.0-112.6 -51.9 144.9 -9.9 -8.1 22.9 8 8 A W H 3> S+ 0 0 19 1,-0.3 4,-2.5 199,-0.2 12,-0.2 0.822 114.4 57.6 -56.4 -36.1 -6.6 -10.1 23.2 9 9 A G H 3> S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.866 105.5 48.9 -66.7 -37.2 -8.5 -13.4 23.2 10 10 A L H <> S+ 0 0 0 -3,-0.8 4,-0.9 2,-0.2 14,-0.3 0.939 112.9 47.7 -63.7 -47.1 -10.2 -12.8 19.9 11 11 A A H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.903 110.6 54.0 -57.7 -39.0 -6.9 -11.8 18.4 12 12 A R H >< S+ 0 0 4 -4,-2.5 3,-1.6 -5,-0.2 -1,-0.2 0.898 101.6 57.1 -65.0 -40.7 -5.4 -14.9 19.9 13 13 A I H 3< S+ 0 0 0 -4,-1.9 262,-2.9 1,-0.3 263,-0.3 0.696 111.9 42.5 -67.0 -17.6 -7.9 -17.3 18.3 14 14 A S T << S+ 0 0 9 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 0.171 106.2 79.7-110.7 19.4 -7.1 -16.0 14.8 15 15 A S < - 0 0 17 -3,-1.6 242,-0.1 1,-0.1 261,-0.1 -0.940 62.8-149.5-127.0 146.5 -3.3 -16.0 15.3 16 16 A T S S+ 0 0 80 -2,-0.4 -1,-0.1 2,-0.1 -4,-0.1 0.678 91.2 44.7 -76.6 -15.5 -0.5 -18.5 15.2 17 17 A S S S- 0 0 64 -3,-0.0 3,-0.4 240,-0.0 -3,-0.1 -0.927 80.5-120.5-131.3 149.5 1.3 -16.2 17.7 18 18 A P S S+ 0 0 56 0, 0.0 168,-0.1 0, 0.0 3,-0.1 -0.300 83.5 60.3 -72.0 168.1 0.6 -14.3 20.9 19 19 A G S S+ 0 0 76 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.633 74.2 112.0 93.0 15.5 1.1 -10.6 21.1 20 20 A T - 0 0 63 -3,-0.4 -1,-0.3 -12,-0.2 -9,-0.1 -0.760 47.5-158.4-117.5 168.4 -1.3 -9.2 18.4 21 21 A S + 0 0 56 -2,-0.3 -15,-2.4 -10,-0.1 2,-0.4 0.254 59.3 91.6-133.1 10.3 -4.4 -7.2 18.7 22 22 A T - 0 0 24 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.947 60.1-145.2-112.5 132.2 -6.5 -7.7 15.5 23 23 A Y E -A 3 0A 0 -20,-2.2 -20,-2.6 -2,-0.4 2,-0.4 -0.863 14.9-164.0 -94.9 126.5 -9.1 -10.4 15.1 24 24 A Y E +A 2 0A 104 -2,-0.5 2,-0.3 -14,-0.3 253,-0.2 -0.942 21.7 148.2-112.7 131.2 -9.4 -11.9 11.6 25 25 A Y - 0 0 35 -24,-2.0 2,-0.2 -2,-0.4 -11,-0.0 -0.995 51.3 -89.5-158.9 154.7 -12.4 -13.9 10.6 26 26 A D > - 0 0 50 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.489 39.9-124.7 -67.5 135.9 -14.6 -14.8 7.7 27 27 A E T 3 S+ 0 0 139 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.651 102.4 81.5 -62.1 -16.7 -17.5 -12.3 7.4 28 28 A S T > S- 0 0 29 1,-0.1 3,-2.6 2,-0.1 -1,-0.3 0.866 74.8-174.9 -55.9 -36.9 -20.0 -15.1 7.5 29 29 A A T < - 0 0 1 -3,-2.0 58,-3.0 1,-0.3 59,-0.4 0.727 65.0 -53.3 57.0 34.7 -19.4 -14.8 11.3 30 30 A G T > S+ 0 0 0 206,-0.4 3,-2.1 1,-0.2 59,-0.3 0.622 84.4 168.2 76.1 10.7 -21.6 -17.7 12.4 31 31 A Q T < + 0 0 115 -3,-2.6 -1,-0.2 1,-0.3 57,-0.2 -0.329 66.9 22.9 -57.8 137.6 -24.7 -16.5 10.6 32 32 A G T 3 S+ 0 0 25 55,-0.5 93,-2.6 1,-0.4 94,-0.5 0.373 103.7 103.1 85.9 -4.4 -27.3 -19.2 10.5 33 33 A S E < -b 126 0B 1 -3,-2.1 56,-1.8 92,-0.2 -1,-0.4 -0.580 59.0-144.0 -98.8 169.3 -25.9 -21.0 13.6 34 34 A a E -bc 127 89B 0 92,-2.0 94,-2.4 -2,-0.2 2,-0.5 -1.000 8.0-164.8-136.1 139.2 -27.3 -20.9 17.1 35 35 A V E -bc 128 90B 0 54,-2.9 56,-2.5 -2,-0.4 2,-0.5 -0.984 8.7-153.3-126.1 120.6 -25.5 -20.9 20.5 36 36 A Y E -bc 129 91B 0 92,-2.9 94,-3.0 -2,-0.5 2,-0.7 -0.802 6.7-155.7 -86.4 128.9 -27.3 -21.7 23.7 37 37 A V E -bc 130 92B 1 54,-2.7 56,-2.3 -2,-0.5 2,-0.8 -0.940 5.8-163.4-108.4 107.7 -25.7 -20.0 26.8 38 38 A I E + c 0 93B 0 92,-2.3 94,-0.5 -2,-0.7 2,-0.2 -0.847 51.7 85.9 -98.9 102.3 -26.7 -22.1 29.8 39 39 A D E S- c 0 94B 0 54,-2.2 57,-2.2 -2,-0.8 56,-1.5 -0.636 96.7 -33.8-167.3-148.4 -25.9 -19.8 32.7 40 40 A T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.2 0.352 97.7 -92.8 -83.8 5.3 -27.3 -16.9 34.7 41 41 A G - 0 0 0 52,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.620 38.5 -93.0 110.6-176.2 -29.2 -15.5 31.7 42 42 A I - 0 0 4 21,-0.5 2,-1.8 -2,-0.2 3,-0.1 -0.982 18.3-130.6-142.2 130.2 -28.4 -12.9 29.1 43 43 A E > - 0 0 37 -2,-0.3 3,-2.1 1,-0.2 6,-0.2 -0.617 31.8-176.9 -78.0 86.0 -29.2 -9.2 29.1 44 44 A A T 3 S+ 0 0 31 -2,-1.8 7,-0.5 1,-0.3 9,-0.3 0.759 72.1 66.2 -62.4 -25.6 -30.6 -9.4 25.6 45 45 A S T 3 S+ 0 0 104 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.544 70.5 121.4 -73.2 -6.1 -31.3 -5.7 25.4 46 46 A H S X> S- 0 0 9 -3,-2.1 3,-2.4 1,-0.2 4,-0.6 -0.362 70.1-131.0 -61.6 130.4 -27.5 -4.9 25.5 47 47 A P G >4 S+ 0 0 77 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.822 103.7 69.8 -51.2 -31.4 -26.7 -2.9 22.3 48 48 A E G 34 S+ 0 0 12 1,-0.2 32,-2.6 2,-0.1 33,-0.1 0.683 93.9 54.9 -60.5 -21.4 -23.8 -5.3 21.8 49 49 A F G X4 S- 0 0 0 -3,-2.4 3,-2.6 30,-0.2 -1,-0.2 0.618 89.0-152.0 -91.5 -15.8 -26.2 -8.2 20.9 50 50 A E T << - 0 0 108 -3,-1.1 -2,-0.1 -4,-0.6 -5,-0.1 0.750 67.7 -55.8 60.4 28.0 -28.0 -6.2 18.2 51 51 A G T 3 S+ 0 0 69 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.467 117.2 109.8 81.5 1.2 -31.3 -8.1 18.6 52 52 A R < + 0 0 33 -3,-2.6 38,-2.8 -8,-0.1 2,-0.4 0.455 62.8 74.5 -88.7 -3.8 -29.6 -11.5 18.1 53 53 A A E +d 90 0B 10 -9,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.871 53.9 165.1-108.9 147.4 -30.0 -12.6 21.7 54 54 A Q E -d 91 0B 75 36,-1.8 38,-2.8 -2,-0.4 2,-0.4 -0.986 36.3-118.3-154.1 147.8 -33.1 -13.8 23.5 55 55 A M E +d 92 0B 42 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.752 30.4 171.6 -80.1 132.3 -34.0 -15.6 26.7 56 56 A V E + 0 0 27 36,-2.8 2,-0.3 -2,-0.4 37,-0.2 0.540 60.7 13.7-115.4 -16.5 -35.8 -18.8 26.0 57 57 A K E +d 93 0B 75 35,-1.3 37,-2.9 6,-0.1 -1,-0.3 -0.957 51.3 177.8-161.5 142.1 -36.0 -20.5 29.4 58 58 A T E -d 94 0B 38 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.971 19.4-161.4-139.6 155.7 -35.6 -19.8 33.1 59 59 A Y S S+ 0 0 69 35,-1.5 2,-0.2 -2,-0.3 36,-0.1 0.216 76.8 67.0-111.7 10.1 -36.1 -21.9 36.2 60 60 A Y S S- 0 0 64 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.611 104.1 -82.2-126.0 179.8 -36.3 -18.9 38.5 61 61 A Y S S+ 0 0 213 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.723 112.2 23.9 -61.8 -21.7 -38.7 -15.9 39.1 62 62 A S - 0 0 40 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.960 60.1-142.3-139.1 156.5 -37.2 -14.0 36.2 63 63 A S + 0 0 50 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.425 69.8 117.4 -90.2 -3.9 -35.3 -14.7 33.0 64 64 A R S S- 0 0 144 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.374 72.4-123.4 -64.0 140.4 -33.2 -11.6 33.7 65 65 A D + 0 0 1 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.760 36.0 170.7 -80.7 98.8 -29.5 -11.9 34.3 66 66 A G S S+ 0 0 21 -2,-1.1 -1,-0.2 -26,-0.4 -25,-0.1 0.318 73.1 48.1 -90.6 9.6 -29.2 -10.3 37.7 67 67 A N S S- 0 0 44 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.800 89.6-135.3-111.3 -55.2 -25.5 -11.4 38.0 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.5 -28,-0.1 5,-0.2 -0.069 76.8 101.8 117.1 -30.2 -23.6 -10.6 34.8 69 69 A H H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 85.0 44.5 -54.6 -50.5 -21.8 -13.9 34.3 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.878 112.6 52.4 -64.0 -37.6 -24.1 -15.2 31.6 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 140,-0.3 0.886 109.6 49.7 -63.2 -39.9 -24.1 -11.9 29.8 72 72 A H H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 139,-0.4 0.952 112.6 46.2 -64.1 -48.9 -20.3 -11.9 29.8 73 73 A C H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.927 112.0 50.8 -60.8 -46.0 -20.1 -15.4 28.4 74 74 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.4 0.878 106.8 56.2 -58.8 -38.0 -22.7 -14.7 25.8 75 75 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.889 105.6 49.9 -61.7 -38.2 -20.8 -11.6 24.8 76 76 A T H < S+ 0 0 0 -4,-1.8 8,-2.4 1,-0.2 9,-0.2 0.869 113.5 47.4 -70.8 -33.8 -17.7 -13.7 24.1 77 77 A V H < S- 0 0 0 -4,-2.0 8,-3.0 6,-0.2 -2,-0.2 0.958 137.9 -11.7 -62.9 -51.8 -19.7 -16.1 22.0 78 78 A G H < S+ 0 0 0 -4,-2.6 -3,-0.2 5,-0.2 -2,-0.2 0.337 81.7 130.3-148.8 8.8 -21.5 -13.6 19.9 79 79 A S X - 0 0 0 -4,-2.0 4,-1.6 -5,-0.4 -30,-0.2 -0.389 62.3-116.4 -69.3 157.5 -21.4 -9.8 20.7 80 80 A R T 4 S+ 0 0 109 -32,-2.6 -1,-0.1 1,-0.2 6,-0.1 0.897 109.3 20.7 -61.1 -42.9 -20.5 -7.4 18.0 81 81 A T T 4 S+ 0 0 49 -33,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.849 135.2 33.2 -93.2 -41.1 -17.3 -6.2 19.6 82 82 A Y T 4 S+ 0 0 38 -34,-0.1 2,-0.2 -76,-0.1 -2,-0.2 0.462 98.6 99.8-101.7 -0.1 -16.4 -8.9 22.1 83 83 A G < - 0 0 0 -4,-1.6 3,-0.3 1,-0.1 -6,-0.2 -0.601 58.2-150.4-102.1 152.7 -17.6 -12.0 20.3 84 84 A V S S+ 0 0 0 -8,-2.4 2,-0.7 -2,-0.2 -6,-0.2 0.890 100.1 38.4 -72.6 -45.4 -16.1 -14.7 18.2 85 85 A A S > S- 0 0 0 -8,-3.0 3,-1.5 -9,-0.2 -1,-0.2 -0.829 73.0-177.1-116.0 85.5 -19.2 -15.4 16.1 86 86 A K T 3 S+ 0 0 14 -2,-0.7 -56,-0.2 -3,-0.3 -1,-0.1 0.511 77.8 40.9 -74.2 -5.9 -20.6 -11.9 15.5 87 87 A K T 3 S+ 0 0 88 -58,-3.0 -55,-0.5 2,-0.1 -1,-0.3 0.247 86.2 119.1-122.8 9.8 -23.7 -13.0 13.5 88 88 A T < - 0 0 1 -3,-1.5 2,-0.5 -59,-0.4 -54,-0.2 -0.270 67.7-112.0 -70.9 161.6 -24.8 -16.1 15.5 89 89 A Q E -c 34 0B 50 -56,-1.8 -54,-2.9 -59,-0.3 2,-0.5 -0.851 31.1-151.4 -91.1 129.9 -28.2 -16.4 17.2 90 90 A L E -cd 35 53B 0 -38,-2.8 -36,-1.8 -2,-0.5 2,-0.5 -0.905 10.9-170.7-108.9 129.6 -27.8 -16.4 21.0 91 91 A F E -cd 36 54B 6 -56,-2.5 -54,-2.7 -2,-0.5 2,-0.4 -0.979 12.5-146.2-121.6 124.0 -30.3 -18.2 23.2 92 92 A G E -cd 37 55B 0 -38,-2.8 -36,-2.8 -2,-0.5 -35,-1.3 -0.758 13.8-175.7 -94.9 133.5 -30.3 -17.8 27.0 93 93 A V E -cd 38 57B 0 -56,-2.3 -54,-2.2 -2,-0.4 2,-1.3 -0.970 17.9-148.7-125.3 109.1 -31.2 -20.6 29.4 94 94 A K E +cd 39 58B 3 -37,-2.9 -35,-1.5 -2,-0.5 -54,-0.2 -0.667 41.7 143.6 -89.6 91.0 -31.1 -19.4 33.0 95 95 A V + 0 0 0 -56,-1.5 2,-0.4 -2,-1.3 -55,-0.2 0.515 60.5 69.7 -95.9 -12.7 -30.1 -22.5 35.1 96 96 A L S S- 0 0 8 -57,-2.2 6,-0.2 -3,-0.2 -57,-0.1 -0.899 80.2-130.0-110.4 138.3 -28.1 -20.3 37.6 97 97 A D > - 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