==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE ACTIVATOR 24-FEB-09 3GDS . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SOHN,R.A.GRANT,R.T.SAUER . 300 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 30.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 10.7 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 1 1 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 5 5 1 4 1 0 0 1 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 . 2 2 0 0 0 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 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 38 A D 0 0 199 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.4 -31.4 -9.6 -37.2 2 39 A S - 0 0 105 2,-0.0 2,-0.6 0, 0.0 3,-0.1 -0.867 360.0-136.3-113.3 152.5 -34.6 -10.4 -35.2 3 40 A T + 0 0 91 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.884 50.9 138.7-123.9 104.9 -34.7 -12.4 -32.0 4 41 A D + 0 0 162 -2,-0.6 -1,-0.1 2,-0.1 -2,-0.0 0.161 61.7 124.1 -98.5 5.3 -37.2 -15.0 -30.9 5 42 A E - 0 0 140 -3,-0.1 -2,-0.1 1,-0.1 0, 0.0 -0.129 66.0-120.4 -68.8 159.5 -33.9 -16.5 -29.7 6 43 A T - 0 0 133 3,-0.0 -1,-0.1 0, 0.0 3,-0.1 -0.907 23.4-126.6-108.4 120.3 -33.1 -17.6 -26.2 7 44 A P - 0 0 105 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.342 31.3-104.5 -60.5 137.7 -30.3 -15.9 -24.3 8 45 A A + 0 0 112 2,-0.1 2,-0.3 -2,-0.0 0, 0.0 -0.515 59.6 164.4 -60.1 122.8 -27.7 -18.2 -22.7 9 46 A S - 0 0 82 -2,-0.3 3,-0.2 -3,-0.1 4,-0.1 -0.998 50.2-155.7-149.5 149.1 -28.5 -18.2 -19.0 10 47 A Y > + 0 0 95 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 0.009 63.0 119.1-106.5 24.4 -27.9 -20.0 -15.7 11 48 A N H > + 0 0 74 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.847 67.6 60.1 -57.4 -37.9 -31.2 -18.7 -14.4 12 49 A L H > S+ 0 0 72 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 107.0 45.1 -57.6 -50.2 -32.6 -22.2 -13.9 13 50 A A H > S+ 0 0 0 158,-0.3 4,-2.1 1,-0.2 5,-0.4 0.907 114.0 52.0 -57.2 -41.8 -29.8 -23.0 -11.5 14 51 A V H X S+ 0 0 33 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.915 109.8 46.9 -61.6 -45.1 -30.4 -19.7 -9.9 15 52 A R H < S+ 0 0 141 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.822 115.2 46.6 -69.1 -31.4 -34.1 -20.3 -9.4 16 53 A R H < S+ 0 0 127 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.860 127.5 21.9 -76.0 -36.7 -33.5 -23.8 -8.0 17 54 A A H >X S+ 0 0 0 -4,-2.1 3,-1.3 -5,-0.2 4,-0.7 0.821 104.0 72.6-106.1 -39.1 -30.8 -22.9 -5.6 18 55 A A G >< S+ 0 0 6 -4,-2.2 3,-1.4 -5,-0.4 54,-0.2 0.841 90.1 61.2 -54.3 -42.6 -30.8 -19.2 -4.6 19 56 A P G 34 S+ 0 0 53 0, 0.0 53,-0.5 0, 0.0 -1,-0.3 0.835 103.5 52.3 -55.9 -31.8 -33.9 -19.3 -2.4 20 57 A A G <4 S+ 0 0 0 -3,-1.3 27,-1.8 83,-0.2 2,-0.5 0.673 90.6 90.6 -77.2 -19.2 -32.2 -21.8 -0.1 21 58 A V E << -A 46 0A 0 -3,-1.4 2,-0.3 -4,-0.7 51,-0.3 -0.688 64.9-166.6 -84.5 126.3 -29.1 -19.6 0.3 22 59 A V E -A 45 0A 0 23,-3.1 23,-1.5 -2,-0.5 2,-0.5 -0.753 24.5-114.4-118.4 157.2 -29.5 -17.2 3.2 23 60 A N E -AB 44 70A 16 47,-2.7 47,-2.5 -2,-0.3 2,-0.5 -0.789 32.6-157.0 -88.4 127.5 -27.9 -14.1 4.6 24 61 A V E -AB 43 69A 0 19,-2.9 19,-2.6 -2,-0.5 2,-0.5 -0.921 6.6-166.3-113.5 125.0 -26.2 -14.8 8.0 25 62 A Y E -AB 42 68A 43 43,-3.1 43,-2.6 -2,-0.5 2,-0.8 -0.938 9.5-157.9-116.2 123.0 -25.5 -12.0 10.5 26 63 A N E -AB 41 67A 0 15,-2.7 14,-2.7 -2,-0.5 15,-1.1 -0.873 20.9-170.7 -95.2 108.3 -23.2 -12.4 13.5 27 64 A R E +AB 39 66A 72 39,-3.0 39,-2.6 -2,-0.8 38,-1.3 -0.868 7.0 176.3-108.1 135.0 -24.3 -9.8 16.0 28 65 A G E -A 38 0A 0 10,-3.0 10,-1.8 -2,-0.4 2,-0.2 -0.975 30.4-113.2-137.0 149.4 -22.4 -9.0 19.2 29 66 A L E -A 37 0A 82 -2,-0.3 2,-0.4 8,-0.2 8,-0.1 -0.507 32.7-151.6 -72.6 146.2 -22.5 -6.5 22.0 30 67 A N > - 0 0 49 6,-0.5 4,-1.5 -2,-0.2 5,-0.4 -0.929 28.6-132.7-119.3 146.9 -19.7 -3.9 22.3 31 68 A T T 4 S+ 0 0 154 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.885 126.3 44.8 -53.4 -37.4 -18.2 -2.1 25.2 32 69 A N T 4 S+ 0 0 120 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.926 103.4 65.0 -65.1 -49.7 -18.8 0.6 22.7 33 70 A S T 4 S- 0 0 1 1,-0.1 -2,-0.2 3,-0.1 -1,-0.2 0.751 84.3-156.0 -43.5 -36.0 -22.3 -0.8 21.9 34 71 A H S < S- 0 0 130 -4,-1.5 -3,-0.1 1,-0.2 3,-0.1 0.976 78.5 -31.3 39.4 71.6 -23.6 -0.0 25.4 35 72 A N S S+ 0 0 144 -5,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.604 115.5 119.4 74.1 13.7 -26.4 -2.6 25.2 36 73 A Q - 0 0 122 -6,-0.3 -6,-0.5 -8,-0.0 2,-0.2 -0.945 63.6-123.7-115.2 129.1 -26.8 -2.3 21.4 37 74 A L E -A 29 0A 58 -2,-0.5 2,-0.3 -8,-0.1 -8,-0.2 -0.474 32.2-178.9 -70.7 134.6 -26.3 -5.1 19.0 38 75 A E E -A 28 0A 79 -10,-1.8 -10,-3.0 -2,-0.2 2,-0.6 -0.939 34.1 -99.6-131.0 155.6 -23.8 -4.5 16.2 39 76 A I E +A 27 0A 81 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.646 34.6 173.9 -75.9 116.4 -22.6 -6.7 13.3 40 77 A R E S- 0 0 108 -14,-2.7 2,-0.3 -2,-0.6 -1,-0.2 0.918 72.1 -8.7 -79.2 -55.1 -19.3 -8.3 14.0 41 78 A T E -A 26 0A 54 -15,-1.1 -15,-2.7 19,-0.2 -1,-0.4 -0.953 61.3-156.3-141.3 156.1 -19.3 -10.4 10.9 42 79 A L E +A 25 0A 41 -2,-0.3 2,-0.2 -17,-0.2 -17,-0.2 -0.998 25.5 137.0-137.5 143.4 -21.6 -11.3 8.0 43 80 A G E -A 24 0A 0 -19,-2.6 -19,-2.9 -2,-0.3 2,-0.2 -0.737 42.2 -84.3-153.8-156.7 -21.7 -14.2 5.6 44 81 A S E -A 23 0A 0 120,-3.7 13,-0.4 -21,-0.2 2,-0.3 -0.656 27.5-163.1-120.0 177.5 -24.0 -16.7 3.9 45 82 A G E -A 22 0A 0 -23,-1.5 -23,-3.1 -2,-0.2 2,-0.4 -0.983 14.1-131.0-158.3 157.5 -25.6 -20.0 4.8 46 83 A V E -AC 21 55A 0 9,-2.3 9,-2.6 -2,-0.3 2,-0.9 -0.957 16.1-133.6-118.8 130.7 -27.3 -22.9 3.0 47 84 A I E - C 0 54A 0 -27,-1.8 57,-2.7 -2,-0.4 7,-0.2 -0.724 24.7-176.7 -81.0 108.6 -30.6 -24.5 4.0 48 85 A M E - 0 0 12 5,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.888 60.0 -2.1 -78.4 -42.4 -29.8 -28.2 3.9 49 86 A D E >> S- C 0 53A 39 4,-0.8 3,-2.3 53,-0.1 4,-0.8 -0.974 75.0 -98.7-150.1 163.5 -33.3 -29.7 4.7 50 87 A Q T 34 S+ 0 0 139 -2,-0.3 47,-0.2 1,-0.3 51,-0.1 0.549 108.0 79.4 -64.7 -8.5 -36.8 -28.6 5.6 51 88 A R T 34 S- 0 0 134 2,-0.1 -1,-0.3 45,-0.1 46,-0.2 0.682 115.5-107.3 -69.2 -16.6 -36.2 -29.2 9.3 52 89 A G T <4 + 0 0 0 -3,-2.3 43,-2.1 1,-0.3 2,-0.5 0.736 66.0 152.5 95.5 27.6 -34.5 -25.8 9.2 53 90 A Y E < -CD 49 94A 41 -4,-0.8 -5,-2.2 41,-0.2 -4,-0.8 -0.792 23.9-165.9 -89.9 130.0 -30.9 -26.9 9.5 54 91 A I E -CD 47 93A 0 39,-2.8 39,-2.8 -2,-0.5 2,-0.3 -0.954 11.5-144.0-122.1 133.0 -28.4 -24.5 7.9 55 92 A I E +CD 46 92A 2 -9,-2.6 -9,-2.3 -2,-0.4 2,-0.3 -0.701 32.7 147.3 -89.7 146.8 -24.8 -24.9 7.0 56 93 A T E - D 0 91A 0 35,-1.6 35,-1.3 -2,-0.3 109,-0.2 -0.961 49.7 -76.7-162.6 171.6 -22.3 -22.1 7.3 57 94 A N E > - D 0 90A 0 -13,-0.4 4,-0.8 -2,-0.3 33,-0.3 -0.492 31.6-134.3 -76.7 150.9 -18.7 -21.3 8.1 58 95 A K H >> S+ 0 0 26 31,-1.3 4,-1.3 27,-0.2 3,-0.6 0.885 104.7 58.4 -70.8 -39.0 -17.6 -21.4 11.8 59 96 A H H 34 S+ 0 0 61 1,-0.2 -1,-0.2 30,-0.2 31,-0.1 0.719 100.6 59.8 -66.5 -18.8 -15.6 -18.2 11.5 60 97 A V H 34 S+ 0 0 0 -3,-0.2 -1,-0.2 1,-0.2 -19,-0.2 0.876 115.7 30.4 -72.3 -38.7 -18.8 -16.5 10.4 61 98 A I H X< S+ 0 0 3 -4,-0.8 3,-1.0 -3,-0.6 -2,-0.2 0.450 87.7 133.4-103.5 -2.2 -20.7 -17.3 13.6 62 99 A N T 3< S- 0 0 60 -4,-1.3 -21,-0.1 1,-0.2 -3,-0.0 -0.162 78.6 -0.9 -51.7 138.7 -17.8 -17.3 16.1 63 100 A D T 3 S+ 0 0 142 1,-0.2 2,-0.5 2,-0.1 -1,-0.2 0.844 90.1 165.4 48.9 43.6 -18.2 -15.5 19.4 64 101 A A < - 0 0 30 -3,-1.0 -36,-0.2 1,-0.2 -1,-0.2 -0.784 34.7-167.2 -93.9 129.3 -21.8 -14.4 18.4 65 102 A D S S+ 0 0 93 -38,-1.3 2,-0.3 -2,-0.5 -37,-0.2 0.843 86.5 8.7 -74.8 -36.8 -24.1 -13.0 21.0 66 103 A Q E -B 27 0A 32 -39,-2.6 -39,-3.0 -3,-0.1 2,-0.5 -0.997 66.6-152.5-144.2 146.2 -26.9 -13.4 18.5 67 104 A I E -B 26 0A 12 12,-0.4 12,-3.0 -2,-0.3 2,-0.5 -0.975 12.9-164.8-121.6 120.1 -27.2 -15.0 15.1 68 105 A I E -BE 25 78A 23 -43,-2.6 -43,-3.1 -2,-0.5 2,-0.4 -0.890 1.5-162.8-108.5 133.1 -29.7 -13.7 12.6 69 106 A V E -BE 24 77A 0 8,-2.9 8,-2.7 -2,-0.5 2,-0.5 -0.946 5.3-169.1-113.6 131.3 -30.7 -15.6 9.4 70 107 A A E -BE 23 76A 15 -47,-2.5 -47,-2.7 -2,-0.4 6,-0.2 -0.975 7.2-152.7-125.2 122.2 -32.5 -13.8 6.6 71 108 A L > - 0 0 10 4,-2.4 3,-1.0 -2,-0.5 -49,-0.1 -0.450 26.8-118.8 -83.7 162.8 -34.2 -15.6 3.6 72 109 A Q T 3 S+ 0 0 75 -53,-0.5 -1,-0.1 -51,-0.3 -52,-0.1 0.700 111.9 65.7 -74.0 -19.0 -34.5 -14.0 0.2 73 110 A D T 3 S- 0 0 89 -54,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.545 122.6-101.7 -80.9 -6.9 -38.3 -14.3 0.6 74 111 A G S < S+ 0 0 55 -3,-1.0 -2,-0.1 1,-0.4 -1,-0.0 0.022 77.3 133.5 114.6 -26.6 -38.2 -11.7 3.4 75 112 A R - 0 0 78 -5,-0.1 -4,-2.4 1,-0.0 2,-0.4 -0.242 36.8-160.4 -59.2 142.9 -38.5 -14.0 6.4 76 113 A V E +E 70 0A 95 -6,-0.2 2,-0.3 -8,-0.0 -6,-0.2 -0.997 10.5 179.8-128.9 132.2 -36.1 -13.3 9.3 77 114 A F E -E 69 0A 32 -8,-2.7 -8,-2.9 -2,-0.4 2,-0.4 -0.914 30.2-124.4-125.7 151.7 -35.2 -15.8 12.1 78 115 A E E -E 68 0A 129 -2,-0.3 18,-0.4 -10,-0.2 2,-0.3 -0.771 40.5-135.0 -84.3 144.0 -33.0 -15.9 15.1 79 116 A A - 0 0 13 -12,-3.0 2,-0.5 -2,-0.4 -12,-0.4 -0.814 7.0-141.3-112.2 147.0 -30.7 -18.9 14.8 80 117 A L E -F 94 0A 103 14,-2.8 14,-2.4 -2,-0.3 2,-1.0 -0.896 21.6-127.5-105.4 125.9 -29.7 -21.5 17.2 81 118 A L E +F 93 0A 76 -2,-0.5 12,-0.2 12,-0.2 3,-0.1 -0.614 27.3 179.0 -76.5 102.9 -26.1 -22.7 17.1 82 119 A V E - 0 0 33 10,-2.3 2,-0.3 -2,-1.0 -1,-0.2 0.909 59.4 -53.7 -68.6 -44.1 -26.3 -26.5 16.9 83 120 A G E -F 92 0A 6 9,-1.1 9,-2.6 2,-0.0 2,-0.3 -0.954 47.2-141.0 175.8 168.4 -22.5 -27.0 16.8 84 121 A S E -F 91 0A 40 131,-0.5 133,-0.4 -2,-0.3 2,-0.4 -0.976 2.2-153.6-147.1 159.1 -19.2 -26.1 15.1 85 122 A D E >>> -F 90 0A 13 5,-2.5 5,-1.4 -2,-0.3 4,-1.0 -0.921 3.5-164.6-140.0 111.6 -15.9 -27.7 14.0 86 123 A S T 345S+ 0 0 53 -2,-0.4 -1,-0.1 212,-0.3 -27,-0.1 0.815 88.3 64.0 -61.1 -31.8 -12.7 -25.6 13.7 87 124 A L T 345S+ 0 0 76 1,-0.2 -1,-0.2 211,-0.1 -2,-0.0 0.860 118.3 22.6 -66.6 -38.3 -11.1 -28.4 11.7 88 125 A T T <45S- 0 0 5 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.376 102.6-126.2-105.7 1.2 -13.5 -28.1 8.7 89 126 A D T <5 + 0 0 36 -4,-1.0 -31,-1.3 1,-0.2 -30,-0.2 0.843 64.4 139.1 54.1 36.6 -14.5 -24.5 9.5 90 127 A L E < +DF 57 85A 3 -5,-1.4 -5,-2.5 -33,-0.3 2,-0.3 -0.668 29.6 178.8-107.8 165.3 -18.1 -25.7 9.5 91 128 A A E -DF 56 84A 0 -35,-1.3 -35,-1.6 -7,-0.2 2,-0.5 -0.958 18.4-138.3-163.5 144.0 -21.1 -24.9 11.7 92 129 A V E -DF 55 83A 1 -9,-2.6 -10,-2.3 -2,-0.3 -9,-1.1 -0.934 15.4-167.1-115.9 131.9 -24.8 -25.8 11.9 93 130 A L E -DF 54 81A 0 -39,-2.8 -39,-2.8 -2,-0.5 2,-0.5 -0.850 7.9-149.2-113.3 149.3 -27.6 -23.4 12.7 94 131 A K E +DF 53 80A 34 -14,-2.4 -14,-2.8 -2,-0.3 2,-0.4 -0.980 14.2 178.6-120.6 126.4 -31.2 -24.2 13.5 95 132 A I - 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