==== 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 3AJ9 . 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) . 10425.0 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 . 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 . 31 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 21.1 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 0.000 360.0 360.0 360.0 149.9 -12.7 -9.5 7.9 2 2 A A E -A 24 0A 65 22,-0.2 2,-0.6 20,-0.0 22,-0.2 -0.994 360.0-165.8-128.2 127.7 -10.5 -7.6 10.4 3 3 A Q E > -A 23 0A 29 20,-2.6 20,-2.1 -2,-0.4 3,-0.6 -0.948 21.7-146.7-109.0 108.1 -11.5 -6.1 13.8 4 4 A T T 3 S+ 0 0 98 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.416 75.7 15.3 -76.8 154.5 -8.8 -3.8 15.0 5 5 A N T 3 S+ 0 0 137 16,-0.2 -1,-0.2 1,-0.1 17,-0.2 0.886 88.6 169.9 49.6 46.4 -8.0 -3.4 18.7 6 6 A A < - 0 0 9 15,-2.4 -1,-0.1 -3,-0.6 76,-0.1 -0.412 46.7 -80.1 -77.6 157.4 -10.0 -6.5 19.5 7 7 A P >> - 0 0 19 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.299 48.2-112.4 -52.6 145.7 -9.9 -8.2 22.9 8 8 A W H 3> S+ 0 0 19 1,-0.3 4,-2.5 199,-0.2 12,-0.2 0.827 114.6 57.8 -55.9 -35.7 -6.7 -10.2 23.2 9 9 A G H 3> S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.870 105.9 48.1 -65.7 -40.5 -8.6 -13.5 23.2 10 10 A L H <> S+ 0 0 1 -3,-0.8 4,-0.9 2,-0.2 14,-0.3 0.940 113.1 48.2 -62.4 -47.8 -10.3 -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 0.901 110.3 53.9 -58.2 -38.1 -7.0 -11.9 18.4 12 12 A R H >< S+ 0 0 4 -4,-2.5 3,-1.6 -5,-0.2 -1,-0.2 0.897 101.4 57.2 -66.3 -39.1 -5.4 -15.0 19.8 13 13 A I H 3< S+ 0 0 0 -4,-1.9 262,-3.0 1,-0.3 263,-0.4 0.700 111.9 42.4 -67.5 -19.5 -8.0 -17.4 18.3 14 14 A S T << S+ 0 0 9 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 0.164 106.4 80.5-109.4 20.6 -7.2 -16.1 14.8 15 15 A S < - 0 0 17 -3,-1.6 242,-0.1 1,-0.1 261,-0.1 -0.943 62.9-150.1-128.2 146.8 -3.4 -16.1 15.3 16 16 A T S S+ 0 0 80 -2,-0.4 -1,-0.1 2,-0.1 -4,-0.1 0.693 90.9 45.8 -75.9 -17.4 -0.6 -18.5 15.2 17 17 A S S S- 0 0 61 -3,-0.0 3,-0.4 240,-0.0 -3,-0.1 -0.903 80.0-121.0-130.3 147.8 1.2 -16.3 17.7 18 18 A P S S+ 0 0 57 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.324 83.8 58.7 -71.2 166.0 0.5 -14.4 20.9 19 19 A G S S+ 0 0 76 166,-0.4 2,-0.2 1,-0.3 167,-0.1 0.624 74.1 112.7 93.6 15.8 0.9 -10.7 21.1 20 20 A T - 0 0 63 -3,-0.4 -1,-0.3 -12,-0.2 -9,-0.1 -0.736 47.6-157.4-116.6 169.5 -1.3 -9.3 18.4 21 21 A S + 0 0 57 -2,-0.2 -15,-2.4 -10,-0.1 2,-0.4 0.219 60.0 90.6-134.9 14.5 -4.5 -7.2 18.7 22 22 A T - 0 0 24 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.962 60.1-145.4-118.6 131.9 -6.5 -7.7 15.5 23 23 A Y E -A 3 0A 0 -20,-2.1 -20,-2.6 -2,-0.4 2,-0.4 -0.872 14.6-164.1 -96.5 126.9 -9.2 -10.5 15.1 24 24 A Y E +A 2 0A 104 -2,-0.5 2,-0.3 -14,-0.3 253,-0.2 -0.944 21.6 148.5-113.6 130.2 -9.5 -12.0 11.6 25 25 A Y - 0 0 36 -24,-2.0 2,-0.2 -2,-0.4 -11,-0.0 -0.994 50.9 -89.3-157.6 155.8 -12.5 -14.0 10.6 26 26 A D > - 0 0 50 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.501 39.4-125.0 -68.4 136.1 -14.7 -15.0 7.7 27 27 A E T 3 S+ 0 0 141 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.654 102.2 81.7 -62.8 -18.1 -17.6 -12.5 7.4 28 28 A S T > S- 0 0 30 1,-0.1 3,-2.6 2,-0.1 -1,-0.3 0.871 74.2-175.5 -52.7 -38.6 -20.1 -15.3 7.5 29 29 A A T < - 0 0 0 -3,-2.0 58,-2.9 1,-0.3 59,-0.4 0.733 65.2 -54.3 57.0 34.2 -19.5 -14.9 11.3 30 30 A G T > S+ 0 0 0 206,-0.4 3,-2.1 1,-0.2 59,-0.3 0.615 83.8 168.4 75.2 12.1 -21.7 -17.8 12.4 31 31 A Q T < + 0 0 120 -3,-2.6 -1,-0.2 1,-0.3 57,-0.2 -0.324 67.0 23.5 -58.6 137.8 -24.8 -16.6 10.6 32 32 A G T 3 S+ 0 0 26 55,-0.5 93,-2.6 1,-0.4 94,-0.5 0.368 103.9 103.1 85.0 -5.8 -27.5 -19.3 10.6 33 33 A S E < -b 126 0B 1 -3,-2.1 56,-1.8 92,-0.2 -1,-0.4 -0.589 58.6-144.3 -97.2 169.1 -26.0 -21.1 13.6 34 34 A a E -bc 127 89B 0 92,-2.0 94,-2.5 -2,-0.2 2,-0.5 -0.999 7.7-164.6-135.4 140.5 -27.4 -21.0 17.2 35 35 A V E -bc 128 90B 0 54,-3.0 56,-2.4 -2,-0.4 2,-0.5 -0.983 8.9-153.1-125.7 121.3 -25.6 -21.0 20.5 36 36 A Y E -bc 129 91B 0 92,-2.9 94,-3.1 -2,-0.5 2,-0.7 -0.792 6.6-156.3 -86.2 129.6 -27.4 -21.8 23.8 37 37 A V E -bc 130 92B 1 54,-2.8 56,-2.3 -2,-0.5 2,-0.8 -0.949 5.5-163.2-109.2 107.0 -25.8 -20.1 26.8 38 38 A I E + c 0 93B 0 92,-2.3 94,-0.5 -2,-0.7 2,-0.2 -0.851 52.1 85.7 -99.0 103.1 -26.8 -22.2 29.8 39 39 A D E S- c 0 94B 0 54,-2.2 57,-2.2 -2,-0.8 56,-1.5 -0.617 96.5 -33.8-167.2-148.0 -26.0 -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 0.338 97.3 -93.2 -83.4 4.2 -27.4 -16.9 34.7 41 41 A G - 0 0 0 52,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.616 38.2 -92.7 110.7-176.8 -29.3 -15.6 31.7 42 42 A I - 0 0 4 21,-0.5 2,-1.8 -2,-0.2 3,-0.1 -0.984 19.3-129.7-142.2 130.8 -28.4 -13.0 29.1 43 43 A E > - 0 0 35 -2,-0.3 3,-2.1 1,-0.2 6,-0.2 -0.619 31.7-175.7 -77.4 86.3 -29.2 -9.3 29.1 44 44 A A T 3 S+ 0 0 33 -2,-1.8 7,-0.5 1,-0.3 9,-0.3 0.752 72.7 64.8 -62.0 -25.5 -30.7 -9.4 25.6 45 45 A S T 3 S+ 0 0 102 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.529 70.6 121.9 -76.3 -4.8 -31.3 -5.7 25.4 46 46 A H X> - 0 0 9 -3,-2.1 3,-2.5 1,-0.2 4,-0.6 -0.387 69.3-132.0 -61.7 130.1 -27.6 -5.0 25.5 47 47 A P G >4 S+ 0 0 76 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.810 102.8 70.4 -53.1 -29.6 -26.7 -3.0 22.3 48 48 A E G 34 S+ 0 0 13 1,-0.2 32,-2.5 2,-0.1 33,-0.1 0.694 93.6 54.8 -60.7 -21.1 -23.8 -5.4 21.8 49 49 A F G X4 S- 0 0 0 -3,-2.5 3,-2.7 30,-0.2 -1,-0.2 0.611 90.0-150.5 -91.3 -14.6 -26.2 -8.3 20.9 50 50 A E T << - 0 0 108 -3,-1.2 -2,-0.1 -4,-0.6 -5,-0.1 0.776 67.6 -56.7 58.1 30.3 -28.0 -6.3 18.2 51 51 A G T 3 S+ 0 0 69 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.494 116.6 111.0 79.0 2.9 -31.3 -8.1 18.7 52 52 A R < + 0 0 34 -3,-2.7 38,-2.9 -8,-0.1 2,-0.4 0.448 62.2 75.4 -89.5 -1.9 -29.6 -11.5 18.1 53 53 A A E +d 90 0B 9 -9,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.874 53.8 164.6-110.0 144.1 -30.0 -12.6 21.8 54 54 A Q E -d 91 0B 78 36,-1.7 38,-2.8 -2,-0.4 2,-0.4 -0.986 36.1-118.3-151.8 149.0 -33.1 -13.8 23.5 55 55 A M E +d 92 0B 41 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.744 29.9 171.9 -81.6 133.8 -34.1 -15.6 26.7 56 56 A V E + 0 0 27 36,-2.8 2,-0.3 -2,-0.4 37,-0.2 0.551 60.9 14.5-116.3 -18.1 -35.9 -18.9 26.0 57 57 A K E +d 93 0B 75 35,-1.3 37,-2.9 6,-0.1 -1,-0.3 -0.965 51.0 178.1-160.5 142.6 -36.1 -20.5 29.5 58 58 A T E -d 94 0B 39 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.981 18.8-162.7-139.7 152.3 -35.7 -19.8 33.2 59 59 A Y S S+ 0 0 70 35,-1.5 2,-0.2 -2,-0.3 36,-0.1 0.249 76.9 65.3-108.8 8.3 -36.2 -21.9 36.3 60 60 A Y S S- 0 0 65 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.594 104.1 -81.3-125.6-179.3 -36.5 -18.8 38.6 61 61 A Y S S+ 0 0 214 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.687 111.9 23.8 -63.3 -18.5 -38.8 -15.9 39.1 62 62 A S - 0 0 43 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.970 59.2-143.1-141.6 156.3 -37.2 -14.0 36.3 63 63 A S + 0 0 51 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.403 69.8 117.9 -91.0 -3.0 -35.3 -14.7 33.1 64 64 A R S S- 0 0 144 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.371 72.4-124.0 -63.4 139.3 -33.3 -11.5 33.7 65 65 A D + 0 0 1 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.781 35.8 171.5 -81.0 100.1 -29.6 -11.9 34.3 66 66 A G S S+ 0 0 22 -2,-1.1 -1,-0.2 -26,-0.4 -25,-0.1 0.290 72.6 48.6 -90.5 9.0 -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 0.798 89.4-135.2-111.6 -55.1 -25.6 -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 -0.068 77.0 100.9 118.2 -30.5 -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 0.919 85.4 44.5 -56.9 -48.7 -21.8 -14.0 34.3 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.877 112.7 52.0 -63.7 -39.2 -24.2 -15.3 31.6 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 140,-0.3 0.891 109.8 49.9 -63.0 -39.1 -24.2 -12.0 29.8 72 72 A H H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 139,-0.4 0.957 112.7 46.0 -65.1 -47.8 -20.4 -11.9 29.8 73 73 A C H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.920 112.0 50.8 -61.7 -45.7 -20.2 -15.5 28.4 74 74 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -33,-0.2 5,-0.3 0.875 106.9 56.2 -59.3 -38.4 -22.8 -14.8 25.8 75 75 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.882 105.5 50.0 -60.1 -38.9 -20.8 -11.7 24.8 76 76 A T H < S+ 0 0 0 -4,-1.8 8,-2.4 1,-0.2 9,-0.2 0.869 113.4 47.8 -71.2 -34.2 -17.7 -13.8 24.1 77 77 A V H < S- 0 0 0 -4,-1.9 8,-3.0 6,-0.2 -2,-0.2 0.962 137.5 -11.6 -62.9 -52.9 -19.8 -16.2 22.0 78 78 A G H < S+ 0 0 0 -4,-2.6 -3,-0.2 5,-0.2 -2,-0.2 0.328 82.0 129.5-146.8 9.3 -21.6 -13.6 19.9 79 79 A S X - 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -30,-0.2 -0.397 62.4-116.1 -70.4 158.4 -21.5 -9.9 20.7 80 80 A R T 4 S+ 0 0 110 -32,-2.5 -1,-0.1 1,-0.2 6,-0.1 0.886 109.4 20.3 -61.6 -42.2 -20.5 -7.5 17.9 81 81 A T T 4 S+ 0 0 48 -33,-0.1 -1,-0.2 1,-0.1 5,-0.0 0.835 135.4 33.3 -94.7 -40.0 -17.4 -6.3 19.6 82 82 A Y T 4 S+ 0 0 37 -34,-0.1 2,-0.2 -76,-0.1 -2,-0.2 0.453 98.5 99.5-101.6 -0.6 -16.5 -9.0 22.1 83 83 A G < - 0 0 0 -4,-1.6 3,-0.3 1,-0.1 -6,-0.2 -0.603 58.0-150.7-102.5 151.7 -17.7 -12.1 20.3 84 84 A V S S+ 0 0 0 -8,-2.4 2,-0.7 -2,-0.2 -6,-0.2 0.890 100.0 38.7 -71.7 -45.8 -16.2 -14.9 18.2 85 85 A A S > S- 0 0 0 -8,-3.0 3,-1.5 -9,-0.2 -1,-0.2 -0.814 73.0-176.8-115.4 86.8 -19.3 -15.5 16.1 86 86 A K T 3 S+ 0 0 14 -2,-0.7 -56,-0.2 -3,-0.3 -1,-0.1 0.507 77.8 40.6 -75.2 -3.8 -20.6 -12.1 15.5 87 87 A K T 3 S+ 0 0 91 -58,-2.9 -55,-0.5 2,-0.1 -1,-0.3 0.234 86.1 118.9-124.5 9.1 -23.8 -13.1 13.6 88 88 A T < - 0 0 1 -3,-1.5 2,-0.5 -59,-0.4 -54,-0.2 -0.291 67.5-112.1 -71.6 161.1 -24.9 -16.2 15.5 89 89 A Q E -c 34 0B 51 -56,-1.8 -54,-3.0 -59,-0.3 2,-0.4 -0.847 30.9-151.4 -90.5 129.6 -28.3 -16.4 17.3 90 90 A L E -cd 35 53B 0 -38,-2.9 -36,-1.7 -2,-0.5 2,-0.5 -0.904 10.7-170.2-108.8 132.1 -27.9 -16.5 21.1 91 91 A F E -cd 36 54B 7 -56,-2.4 -54,-2.8 -2,-0.4 2,-0.4 -0.985 12.3-146.0-123.4 124.0 -30.4 -18.3 23.3 92 92 A G E -cd 37 55B 0 -38,-2.8 -36,-2.8 -2,-0.5 -35,-1.3 -0.757 13.9-175.8 -95.0 133.3 -30.4 -17.9 27.1 93 93 A V E -cd 38 57B 0 -56,-2.3 -54,-2.2 -2,-0.4 2,-1.3 -0.969 18.0-148.7-124.9 109.3 -31.3 -20.7 29.5 94 94 A K E +cd 39 58B 3 -37,-2.9 -35,-1.5 -2,-0.5 -54,-0.2 -0.664 41.9 143.3 -88.4 90.4 -31.2 -19.5 33.1 95 95 A V + 0 0 0 -56,-1.5 2,-0.4 -2,-1.3 -55,-0.2 0.518 60.5 70.0 -96.3 -13.3 -30.2 -22.5 35.2 96 96 A L S S- 0 0 8 -57,-2.2 6,-0.2 -3,-0.2 -57,-0.1 -0.894 80.0-130.4-109.3 138.2 -28.2 -20.3 37.6 97 97 A D > - 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