==== 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 22-FEB-09 3GCN . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SOHN,R.T.SAUER,R.A.GRANT . 304 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 62.8 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 . 96 31.6 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 . 4 1.3 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-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 . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 10.9 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 . 1 4 4 2 4 1 1 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 . 1 0 0 0 1 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 0 210 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.0 -31.7 -9.4 -36.7 2 39 A S - 0 0 102 2,-0.0 2,-0.5 0, 0.0 3,-0.1 -0.759 360.0-137.5 -97.7 151.4 -34.9 -10.0 -34.7 3 40 A T + 0 0 98 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.919 48.4 150.1-125.5 114.2 -34.8 -12.4 -31.9 4 41 A D + 0 0 168 -2,-0.5 -1,-0.1 2,-0.1 -2,-0.0 0.182 61.6 124.7 -97.8 5.7 -37.3 -15.1 -30.7 5 42 A E - 0 0 137 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 -0.176 66.3-121.5 -68.7 156.3 -34.0 -16.5 -29.6 6 43 A T - 0 0 133 3,-0.0 2,-0.1 0, 0.0 -1,-0.1 -0.887 24.4-130.4-103.3 121.4 -33.2 -17.6 -26.0 7 44 A P - 0 0 102 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.431 32.7 -98.1 -69.5 141.1 -30.2 -15.9 -24.3 8 45 A A + 0 0 112 -2,-0.1 2,-0.3 2,-0.1 0, 0.0 -0.405 60.7 163.2 -58.7 125.8 -27.7 -18.1 -22.6 9 46 A S - 0 0 82 -2,-0.2 3,-0.2 -3,-0.1 -3,-0.0 -0.995 48.5-156.3-149.9 152.1 -28.5 -18.1 -18.9 10 47 A Y > + 0 0 94 -2,-0.3 4,-1.8 1,-0.1 3,-0.4 0.061 62.6 118.2-110.6 21.7 -28.0 -19.9 -15.7 11 48 A N H > + 0 0 73 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.835 67.0 63.1 -57.5 -35.5 -31.2 -18.6 -14.2 12 49 A L H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.933 106.0 43.6 -56.3 -49.2 -32.5 -22.2 -13.9 13 50 A A H > S+ 0 0 0 -3,-0.4 4,-2.2 158,-0.3 5,-0.4 0.892 114.2 53.3 -61.4 -38.1 -29.8 -23.0 -11.4 14 51 A V H X S+ 0 0 32 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.947 108.8 46.5 -63.8 -49.9 -30.4 -19.7 -9.7 15 52 A R H < S+ 0 0 148 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.844 115.4 48.6 -61.3 -35.0 -34.1 -20.3 -9.3 16 53 A R H < S+ 0 0 128 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.870 127.9 17.9 -71.7 -38.7 -33.4 -23.8 -7.9 17 54 A A H >X S+ 0 0 0 -4,-2.2 3,-1.5 -5,-0.1 4,-0.8 0.818 103.8 76.3-108.1 -39.3 -30.7 -22.9 -5.4 18 55 A A G >< S+ 0 0 7 -4,-2.4 3,-1.4 -5,-0.4 54,-0.2 0.841 90.7 58.5 -49.0 -44.9 -30.7 -19.2 -4.6 19 56 A P G 34 S+ 0 0 54 0, 0.0 53,-0.5 0, 0.0 -1,-0.3 0.827 102.8 54.9 -58.4 -32.0 -33.8 -19.3 -2.3 20 57 A A G <4 S+ 0 0 1 -3,-1.5 27,-2.4 83,-0.2 2,-0.4 0.697 90.5 88.3 -72.5 -22.5 -32.0 -21.9 -0.0 21 58 A V E << -A 46 0A 0 -3,-1.4 51,-0.3 -4,-0.8 2,-0.3 -0.684 64.6-169.6 -83.6 128.9 -29.0 -19.6 0.5 22 59 A V E -A 45 0A 0 23,-2.9 23,-1.5 -2,-0.4 2,-0.5 -0.761 25.4-111.2-120.8 161.3 -29.5 -17.2 3.4 23 60 A N E -AB 44 70A 15 47,-2.8 47,-2.9 -2,-0.3 2,-0.5 -0.810 31.3-155.1 -93.1 127.4 -27.8 -14.2 4.8 24 61 A V E -AB 43 69A 0 19,-2.2 19,-2.8 -2,-0.5 2,-0.5 -0.903 6.9-166.2-109.5 127.1 -26.1 -14.9 8.2 25 62 A Y E -AB 42 68A 41 43,-3.0 43,-2.4 -2,-0.5 2,-0.8 -0.943 9.8-156.0-118.0 121.7 -25.4 -12.1 10.7 26 63 A N E -AB 41 67A 1 15,-3.2 14,-2.8 -2,-0.5 15,-1.3 -0.848 19.6-167.4 -95.4 106.1 -23.1 -12.4 13.7 27 64 A R E +AB 39 66A 76 39,-2.9 39,-2.5 -2,-0.8 38,-1.0 -0.823 8.5 177.3-101.5 130.3 -24.3 -9.8 16.2 28 65 A G E -A 38 0A 0 10,-3.0 10,-1.7 -2,-0.5 2,-0.2 -0.977 29.3-119.8-131.7 144.9 -22.2 -8.9 19.2 29 66 A L E -A 37 0A 79 -2,-0.4 2,-0.4 8,-0.2 8,-0.1 -0.522 32.1-150.5 -71.1 147.0 -22.5 -6.5 22.1 30 67 A N > - 0 0 47 6,-0.5 4,-1.5 -2,-0.2 5,-0.4 -0.933 28.0-133.2-120.7 146.8 -19.7 -3.9 22.3 31 68 A T T 4 S+ 0 0 155 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.897 126.3 44.6 -53.6 -38.9 -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 0.933 103.7 65.2 -62.6 -50.6 -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 0.742 84.0-156.1 -43.0 -36.2 -22.3 -0.8 21.9 34 71 A H S < S- 0 0 129 -4,-1.5 -3,-0.1 -3,-0.2 3,-0.1 0.976 78.3 -32.1 39.6 71.3 -23.6 -0.0 25.4 35 72 A N S S+ 0 0 143 -5,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.618 115.3 119.1 72.9 14.6 -26.4 -2.7 25.2 36 73 A Q - 0 0 122 -6,-0.3 -6,-0.5 -8,-0.0 -1,-0.2 -0.948 64.0-123.1-115.4 128.9 -26.9 -2.3 21.4 37 74 A L E -A 29 0A 54 -2,-0.5 2,-0.3 -8,-0.1 -8,-0.2 -0.467 32.2-178.4 -69.9 136.7 -26.3 -5.1 19.0 38 75 A E E -A 28 0A 79 -10,-1.7 -10,-3.0 -2,-0.2 2,-0.7 -0.949 35.1 -99.2-132.1 154.2 -23.8 -4.5 16.2 39 76 A I E +A 27 0A 79 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.638 35.6 173.7 -74.4 111.1 -22.6 -6.7 13.3 40 77 A R E S- 0 0 115 -14,-2.8 2,-0.3 -2,-0.7 -1,-0.2 0.920 73.6 -9.0 -74.6 -52.3 -19.3 -8.3 14.2 41 78 A T E -A 26 0A 53 -15,-1.3 -15,-3.2 19,-0.2 -1,-0.4 -0.987 61.8-158.5-146.3 150.1 -19.3 -10.4 11.1 42 79 A L E +A 25 0A 38 -2,-0.3 120,-0.2 -17,-0.2 -17,-0.2 -0.968 25.8 134.4-130.8 150.4 -21.7 -11.2 8.2 43 80 A G E -A 24 0A 0 -19,-2.8 -19,-2.2 -2,-0.3 2,-0.2 -0.745 43.0 -81.2-159.4-151.5 -21.7 -14.1 5.7 44 81 A S E -A 23 0A 0 120,-3.4 13,-0.4 -21,-0.3 2,-0.3 -0.726 27.9-166.0-127.0 177.6 -23.9 -16.6 4.1 45 82 A G E -A 22 0A 0 -23,-1.5 -23,-2.9 -2,-0.2 2,-0.5 -0.983 16.3-128.4-162.0 159.2 -25.5 -20.0 4.9 46 83 A V E -AC 21 55A 0 9,-2.6 9,-2.5 -2,-0.3 2,-0.8 -0.956 16.0-135.3-123.4 119.9 -27.2 -22.9 3.2 47 84 A I E - C 0 54A 0 -27,-2.4 57,-2.4 -2,-0.5 7,-0.2 -0.598 25.1-176.1 -70.3 109.5 -30.5 -24.4 4.2 48 85 A M - 0 0 13 5,-2.2 2,-0.3 -2,-0.8 -1,-0.2 0.918 57.7 -0.5 -78.4 -47.7 -29.7 -28.2 4.0 49 86 A D S > S- 0 0 36 4,-0.9 3,-1.2 54,-0.1 4,-0.2 -0.839 75.1 -96.9-137.8 177.8 -33.1 -29.7 4.9 50 87 A Q T 3 S+ 0 0 118 -2,-0.3 -1,-0.0 1,-0.3 -3,-0.0 0.729 109.3 75.7 -68.3 -25.6 -36.7 -28.8 5.8 51 88 A R T 3 S- 0 0 125 1,-0.1 -1,-0.3 2,-0.1 44,-0.2 0.764 116.0-107.0 -59.8 -24.0 -36.1 -29.3 9.5 52 89 A G < + 0 0 0 -3,-1.2 43,-0.9 1,-0.3 2,-0.5 0.638 65.7 152.8 104.1 20.4 -34.3 -25.9 9.4 53 90 A Y E - D 0 94A 42 -4,-0.2 -5,-2.2 41,-0.2 -4,-0.9 -0.718 24.0-166.6 -83.1 127.4 -30.7 -27.1 9.7 54 91 A I E -CD 47 93A 0 39,-2.7 39,-2.4 -2,-0.5 2,-0.3 -0.941 13.2-142.8-122.0 135.6 -28.3 -24.6 8.1 55 92 A I E +CD 46 92A 2 -9,-2.5 -9,-2.6 -2,-0.4 2,-0.3 -0.755 32.3 148.4 -92.8 142.2 -24.7 -24.9 7.1 56 93 A T E - D 0 91A 0 35,-2.0 35,-2.5 -2,-0.3 2,-0.2 -0.959 49.7 -78.9-158.0 169.6 -22.2 -22.0 7.5 57 94 A N E >> - D 0 90A 0 -13,-0.4 3,-0.8 -2,-0.3 4,-0.7 -0.527 31.6-134.5 -76.9 145.1 -18.6 -21.3 8.2 58 95 A K H >> S+ 0 0 35 31,-0.9 3,-1.2 27,-0.2 4,-1.0 0.909 103.8 60.2 -63.6 -42.7 -17.5 -21.4 11.8 59 96 A H H 34 S+ 0 0 60 1,-0.3 -1,-0.2 2,-0.2 31,-0.1 0.678 99.3 61.2 -63.5 -14.5 -15.5 -18.2 11.6 60 97 A V H <4 S+ 0 0 0 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.840 113.5 31.5 -76.7 -34.7 -18.7 -16.4 10.6 61 98 A I H X< S+ 0 0 4 -3,-1.2 3,-1.0 -4,-0.7 -2,-0.2 0.355 85.0 134.0-109.7 3.1 -20.5 -17.3 13.9 62 99 A N T 3< S- 0 0 57 -4,-1.0 -21,-0.0 1,-0.2 -3,-0.0 -0.317 79.9 -1.5 -58.8 132.8 -17.6 -17.3 16.4 63 100 A D T 3 S+ 0 0 146 1,-0.2 2,-0.6 2,-0.1 -1,-0.2 0.882 89.7 165.2 56.2 44.7 -18.1 -15.4 19.6 64 101 A A < - 0 0 29 -3,-1.0 -1,-0.2 1,-0.2 -36,-0.2 -0.836 33.8-166.0 -98.4 122.8 -21.6 -14.3 18.6 65 102 A D S S+ 0 0 95 -38,-1.0 2,-0.3 -2,-0.6 -37,-0.2 0.863 85.9 7.5 -68.2 -37.7 -24.0 -13.0 21.3 66 103 A Q E -B 27 0A 34 -39,-2.5 -39,-2.9 -3,-0.1 2,-0.5 -0.997 67.0-152.3-144.5 147.1 -26.8 -13.4 18.7 67 104 A I E -B 26 0A 13 12,-0.4 12,-2.8 -2,-0.3 2,-0.4 -0.972 12.3-166.1-123.0 120.3 -27.0 -15.0 15.3 68 105 A I E -BE 25 78A 23 -43,-2.4 -43,-3.0 -2,-0.5 2,-0.5 -0.892 3.0-161.4-110.0 133.0 -29.6 -13.8 12.8 69 106 A V E -BE 24 77A 0 8,-2.7 8,-2.6 -2,-0.4 2,-0.5 -0.950 5.8-166.2-114.8 124.3 -30.6 -15.6 9.6 70 107 A A E -BE 23 76A 14 -47,-2.9 -47,-2.8 -2,-0.5 6,-0.2 -0.930 6.3-152.3-115.4 124.1 -32.3 -13.8 6.7 71 108 A L > - 0 0 8 4,-3.1 3,-1.3 -2,-0.5 -49,-0.1 -0.488 26.4-118.7 -86.0 161.1 -34.1 -15.6 3.9 72 109 A Q T 3 S+ 0 0 74 -53,-0.5 -1,-0.1 -51,-0.3 -52,-0.1 0.763 113.2 64.7 -70.9 -24.4 -34.4 -14.1 0.4 73 110 A D T 3 S- 0 0 91 -54,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.544 123.8-103.2 -75.1 -6.7 -38.2 -14.2 0.8 74 111 A G S < S+ 0 0 55 -3,-1.3 -2,-0.1 1,-0.3 2,-0.1 0.146 75.7 138.6 109.3 -17.5 -37.9 -11.7 3.6 75 112 A R - 0 0 72 -5,-0.1 -4,-3.1 1,-0.0 2,-0.4 -0.378 35.2-159.5 -64.8 135.5 -38.3 -14.1 6.6 76 113 A V E -E 70 0A 95 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.958 11.0-179.9-119.9 137.5 -36.0 -13.4 9.5 77 114 A F E -E 69 0A 29 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.7 -0.919 32.2-122.8-131.6 156.1 -35.0 -15.9 12.2 78 115 A E E -E 68 0A 133 -2,-0.3 -10,-0.2 -10,-0.2 18,-0.2 -0.910 42.2-135.6 -97.0 113.7 -32.8 -16.0 15.3 79 116 A A - 0 0 13 -12,-2.8 2,-0.5 -2,-0.7 -12,-0.4 -0.335 7.2-142.4 -75.5 150.9 -30.5 -18.9 14.7 80 117 A L E -F 94 0A 116 14,-1.9 14,-1.6 -14,-0.1 2,-0.9 -0.961 18.8-127.5-113.6 122.5 -29.6 -21.6 17.2 81 118 A L E +F 93 0A 75 -2,-0.5 12,-0.2 12,-0.2 3,-0.1 -0.557 27.6 177.5 -72.1 104.1 -26.0 -22.9 17.2 82 119 A V E - 0 0 35 10,-2.1 2,-0.3 -2,-0.9 -1,-0.2 0.932 61.8 -47.9 -69.1 -48.5 -26.1 -26.7 16.9 83 120 A G E -F 92 0A 6 9,-1.1 9,-2.7 2,-0.0 2,-0.3 -0.960 47.8-140.4-178.0 165.0 -22.4 -27.1 16.8 84 121 A S E -F 91 0A 43 131,-0.5 2,-0.4 -2,-0.3 133,-0.3 -0.982 2.9-155.7-140.8 152.5 -19.1 -26.0 15.2 85 122 A D E >> -F 90 0A 10 5,-3.1 5,-1.5 -2,-0.3 4,-1.2 -0.956 4.2-165.8-132.8 115.1 -15.9 -27.6 14.0 86 123 A S T 45S+ 0 0 54 -2,-0.4 -1,-0.1 216,-0.3 -27,-0.1 0.854 87.2 61.3 -64.9 -34.7 -12.6 -25.7 13.8 87 124 A L T 45S+ 0 0 68 1,-0.2 -1,-0.2 215,-0.1 -2,-0.0 0.904 119.4 23.5 -64.0 -45.6 -10.9 -28.3 11.7 88 125 A T T 45S- 0 0 9 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.498 103.2-126.2 -95.5 -6.4 -13.3 -28.1 8.7 89 126 A D T <5 + 0 0 39 -4,-1.2 -31,-0.9 1,-0.2 2,-0.3 0.897 62.7 141.2 59.5 42.5 -14.4 -24.6 9.6 90 127 A L E < -DF 57 85A 3 -5,-1.5 -5,-3.1 -33,-0.3 2,-0.3 -0.868 29.7-178.5-116.6 150.7 -18.0 -25.7 9.6 91 128 A A E -DF 56 84A 0 -35,-2.5 -35,-2.0 -2,-0.3 2,-0.4 -0.994 14.0-145.3-144.9 146.8 -21.0 -24.7 11.8 92 129 A V E -DF 55 83A 2 -9,-2.7 -10,-2.1 -2,-0.3 -9,-1.1 -0.926 13.8-168.6-118.7 141.3 -24.6 -25.8 11.9 93 130 A L E -DF 54 81A 0 -39,-2.4 -39,-2.7 -2,-0.4 2,-0.4 -0.860 8.1-148.1-126.3 158.6 -27.6 -23.7 12.8 94 131 A K E +DF 53 80A 52 -14,-1.6 -14,-1.9 -2,-0.3 2,-0.3 -0.982 16.9 174.3-130.0 138.5 -31.3 -24.4 13.6 95 132 A I - 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