==== 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 3GCO . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SOHN,R.A.GRANT,R.T.SAUER . 307 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 64.5 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 . 97 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 . 3 1.0 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 . 27 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 1 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 . 0 5 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 . 2 0 0 1 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 0 219 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.8 -31.5 -9.4 -37.1 2 39 A S - 0 0 95 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.911 360.0-131.8-119.9 155.2 -34.6 -10.0 -34.9 3 40 A T + 0 0 100 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.913 50.0 145.6-122.5 113.9 -34.8 -12.4 -31.9 4 41 A D + 0 0 165 -2,-0.6 -1,-0.1 2,-0.0 0, 0.0 0.108 64.1 127.1 -97.9 7.3 -37.3 -15.0 -30.9 5 42 A E - 0 0 148 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 -0.112 64.2-121.8 -68.5 159.3 -33.9 -16.4 -29.8 6 43 A T - 0 0 131 3,-0.0 2,-0.1 0, 0.0 -1,-0.1 -0.915 22.0-128.2-109.9 120.0 -33.1 -17.6 -26.3 7 44 A P - 0 0 105 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.399 30.9-106.0 -62.0 132.1 -30.3 -15.9 -24.3 8 45 A A + 0 0 113 -2,-0.1 2,-0.3 2,-0.1 0, 0.0 -0.461 59.4 166.0 -56.4 123.1 -27.7 -18.3 -22.8 9 46 A S - 0 0 79 -2,-0.2 3,-0.2 -3,-0.1 -3,-0.0 -0.985 50.1-156.6-147.8 153.3 -28.6 -18.2 -19.1 10 47 A Y > + 0 0 93 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 0.037 62.3 119.2-113.0 21.6 -28.0 -20.0 -15.8 11 48 A N H > + 0 0 80 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.832 67.9 59.7 -56.3 -37.5 -31.3 -18.6 -14.4 12 49 A L H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.953 106.3 45.8 -57.8 -52.5 -32.7 -22.1 -13.9 13 50 A A H > S+ 0 0 0 158,-0.4 4,-2.0 1,-0.2 5,-0.4 0.880 114.1 51.9 -56.1 -37.5 -29.8 -23.1 -11.6 14 51 A V H X S+ 0 0 33 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.927 109.4 47.0 -65.5 -46.1 -30.5 -19.7 -9.9 15 52 A R H < S+ 0 0 143 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.810 114.9 47.8 -67.4 -30.5 -34.2 -20.3 -9.4 16 53 A R H < S+ 0 0 127 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.871 126.6 21.2 -76.4 -38.7 -33.6 -23.8 -8.0 17 54 A A H >X S+ 0 0 0 -4,-2.0 3,-1.1 -5,-0.2 4,-0.5 0.798 103.5 74.7-105.5 -35.4 -30.8 -23.0 -5.5 18 55 A A G >< S+ 0 0 7 -4,-2.3 3,-1.9 -5,-0.4 54,-0.2 0.846 89.3 59.4 -55.3 -42.7 -30.9 -19.3 -4.6 19 56 A P G 34 S+ 0 0 53 0, 0.0 53,-0.5 0, 0.0 -1,-0.3 0.836 103.1 54.4 -58.3 -31.6 -34.0 -19.3 -2.3 20 57 A A G <4 S+ 0 0 0 -3,-1.1 27,-2.4 83,-0.2 2,-0.5 0.600 90.6 90.3 -76.7 -13.1 -32.3 -21.9 -0.0 21 58 A V E << -A 46 0A 0 -3,-1.9 51,-0.3 -4,-0.5 25,-0.2 -0.770 65.2-167.4 -91.1 124.9 -29.2 -19.6 0.4 22 59 A V E -A 45 0A 0 23,-3.1 23,-1.6 -2,-0.5 2,-0.6 -0.651 25.7-112.5-115.4 162.8 -29.6 -17.3 3.3 23 60 A N E -AB 44 70A 18 47,-2.7 47,-2.6 -2,-0.2 2,-0.5 -0.856 31.6-157.1 -94.3 118.2 -28.0 -14.2 4.8 24 61 A V E -AB 43 69A 0 19,-2.3 19,-2.6 -2,-0.6 2,-0.5 -0.854 6.7-167.3-101.8 124.0 -26.3 -14.9 8.1 25 62 A Y E -AB 42 68A 39 43,-3.0 43,-2.8 -2,-0.5 2,-0.8 -0.937 9.1-158.6-116.5 117.3 -25.7 -12.1 10.5 26 63 A N E -AB 41 67A 1 15,-2.3 14,-2.4 -2,-0.5 15,-1.0 -0.837 18.8-170.4 -92.5 108.6 -23.4 -12.4 13.5 27 64 A R E +AB 39 66A 80 39,-3.0 39,-2.0 -2,-0.8 38,-1.5 -0.860 7.0 176.2-107.4 133.3 -24.5 -9.8 16.0 28 65 A G E -A 38 0A 0 10,-3.2 10,-1.9 -2,-0.4 2,-0.2 -0.971 29.8-113.3-136.8 151.6 -22.5 -9.0 19.1 29 66 A L E -A 37 0A 81 -2,-0.3 2,-0.4 8,-0.2 8,-0.1 -0.518 31.6-152.8 -76.2 146.2 -22.5 -6.5 22.0 30 67 A N > - 0 0 48 6,-0.5 4,-1.5 -2,-0.2 5,-0.4 -0.925 29.0-133.2-119.7 147.1 -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 0.887 126.2 44.8 -54.1 -37.7 -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 0.930 103.5 65.0 -64.5 -49.9 -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 0.747 84.2-156.1 -43.5 -35.6 -22.3 -0.8 21.9 34 71 A H S < S- 0 0 130 -4,-1.5 -3,-0.1 -3,-0.2 3,-0.1 0.974 78.4 -31.8 39.0 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 0.613 115.1 119.9 73.3 14.6 -26.4 -2.6 25.2 36 73 A Q - 0 0 121 -6,-0.3 -6,-0.5 -8,-0.0 2,-0.2 -0.949 63.7-124.0-115.7 128.1 -26.9 -2.3 21.4 37 74 A L E -A 29 0A 56 -2,-0.5 2,-0.3 -8,-0.1 -8,-0.2 -0.465 31.1-176.8 -70.0 132.3 -26.4 -5.1 19.0 38 75 A E E -A 28 0A 80 -10,-1.9 -10,-3.2 -2,-0.2 2,-0.6 -0.953 33.9-103.6-127.4 150.9 -23.9 -4.5 16.2 39 76 A I E +A 27 0A 85 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.646 32.9 179.4 -74.5 113.1 -22.9 -6.7 13.3 40 77 A R E S- 0 0 108 -14,-2.4 2,-0.3 -2,-0.6 -1,-0.2 0.946 70.5 -17.3 -73.1 -57.8 -19.5 -8.3 14.1 41 78 A T E -A 26 0A 65 -15,-1.0 -15,-2.3 19,-0.2 -1,-0.4 -0.966 63.2-154.4-145.2 160.0 -19.3 -10.2 10.8 42 79 A L E +A 25 0A 38 -2,-0.3 2,-0.2 -17,-0.2 -17,-0.2 -0.958 22.8 139.8-137.6 157.1 -21.7 -11.4 8.2 43 80 A G E -A 24 0A 0 -19,-2.6 -19,-2.3 -2,-0.3 2,-0.2 -0.787 41.0 -79.3-164.0-154.6 -21.9 -14.2 5.6 44 81 A S E -A 23 0A 0 120,-3.1 13,-0.4 -21,-0.3 2,-0.3 -0.692 28.0-161.9-124.3 176.2 -24.2 -16.7 4.0 45 82 A G E -A 22 0A 0 -23,-1.6 -23,-3.1 -2,-0.2 2,-0.5 -0.986 14.1-131.2-156.1 158.3 -25.8 -20.0 4.8 46 83 A V E -AC 21 55A 0 9,-2.5 9,-2.8 -2,-0.3 2,-0.9 -0.964 16.4-134.6-118.7 128.7 -27.5 -23.0 3.0 47 84 A I E - C 0 54A 0 -27,-2.4 57,-2.5 -2,-0.5 7,-0.2 -0.715 24.3-176.2 -79.2 108.5 -30.8 -24.5 4.1 48 85 A M E - 0 0 11 5,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.894 60.2 -1.5 -77.4 -43.3 -30.0 -28.3 4.0 49 86 A D E >> S- C 0 53A 38 4,-0.9 3,-2.2 53,-0.1 4,-0.7 -0.965 75.2 -98.7-148.4 165.7 -33.4 -29.7 4.8 50 87 A Q T 34 S+ 0 0 136 1,-0.3 51,-0.1 -2,-0.3 53,-0.0 0.536 108.0 78.8 -67.3 -7.2 -36.9 -28.7 5.7 51 88 A R T 34 S- 0 0 123 2,-0.1 -1,-0.3 1,-0.0 44,-0.2 0.642 116.2-107.4 -71.6 -12.9 -36.4 -29.2 9.4 52 89 A G T <4 + 0 0 0 -3,-2.2 43,-1.2 1,-0.3 2,-0.5 0.733 65.4 154.2 92.9 25.9 -34.6 -25.9 9.2 53 90 A Y E < -CD 49 94A 41 -4,-0.7 -5,-2.2 41,-0.2 -4,-0.9 -0.762 23.5-164.9 -87.0 130.6 -31.0 -27.0 9.6 54 91 A I E -CD 47 93A 0 39,-2.9 39,-2.7 -2,-0.5 2,-0.3 -0.949 11.9-144.4-123.2 133.3 -28.6 -24.6 8.0 55 92 A I E +CD 46 92A 2 -9,-2.8 -9,-2.5 -2,-0.4 2,-0.3 -0.745 33.0 146.0 -92.2 143.0 -24.9 -24.9 7.0 56 93 A T E - D 0 91A 0 35,-2.0 35,-2.0 -2,-0.3 2,-0.2 -0.933 49.9 -76.1-156.9 178.1 -22.5 -22.0 7.3 57 94 A N E >> - D 0 90A 0 -13,-0.4 4,-0.8 -2,-0.3 3,-0.5 -0.608 30.5-135.0 -84.1 147.2 -18.9 -21.3 8.2 58 95 A K H >> S+ 0 0 29 31,-1.4 4,-1.1 -2,-0.2 3,-0.9 0.912 104.5 58.2 -65.9 -42.7 -17.7 -21.4 11.8 59 96 A H H 34 S+ 0 0 65 1,-0.3 -1,-0.2 30,-0.2 31,-0.1 0.690 100.8 59.8 -65.0 -16.0 -15.7 -18.2 11.5 60 97 A V H <4 S+ 0 0 3 -3,-0.5 -1,-0.3 1,-0.1 -19,-0.2 0.849 114.8 31.5 -75.6 -35.3 -18.9 -16.5 10.5 61 98 A I H X< S+ 0 0 3 -3,-0.9 3,-1.0 -4,-0.8 -2,-0.2 0.382 85.3 132.7-108.7 3.0 -20.8 -17.3 13.7 62 99 A N T 3< S+ 0 0 61 -4,-1.1 -3,-0.0 1,-0.2 -4,-0.0 -0.282 79.2 0.8 -56.9 136.1 -17.9 -17.3 16.2 63 100 A D T 3 S+ 0 0 140 1,-0.2 2,-0.5 2,-0.1 -1,-0.2 0.857 88.7 167.5 55.1 42.5 -18.5 -15.4 19.5 64 101 A A < - 0 0 31 -3,-1.0 -1,-0.2 1,-0.2 -36,-0.2 -0.765 33.3-169.1 -92.2 128.0 -22.0 -14.4 18.5 65 102 A D S S+ 0 0 96 -38,-1.5 2,-0.3 -2,-0.5 -37,-0.2 0.745 87.5 8.2 -78.5 -26.6 -24.4 -13.0 21.1 66 103 A Q E -B 27 0A 37 -39,-2.0 -39,-3.0 -3,-0.1 2,-0.5 -0.976 66.8-152.7-153.4 142.9 -27.1 -13.4 18.5 67 104 A I E -B 26 0A 13 12,-0.4 12,-2.6 -2,-0.3 2,-0.5 -0.971 13.5-164.6-120.1 120.5 -27.3 -15.1 15.1 68 105 A I E -BE 25 78A 22 -43,-2.8 -43,-3.0 -2,-0.5 2,-0.5 -0.899 3.0-162.5-110.2 129.3 -29.8 -13.8 12.5 69 106 A V E -BE 24 77A 0 8,-2.5 8,-2.7 -2,-0.5 2,-0.5 -0.938 6.3-167.7-112.0 121.0 -30.9 -15.7 9.4 70 107 A A E -BE 23 76A 16 -47,-2.6 -47,-2.7 -2,-0.5 6,-0.2 -0.929 7.2-152.0-112.8 121.3 -32.6 -13.8 6.6 71 108 A L > - 0 0 9 4,-2.9 3,-1.4 -2,-0.5 -49,-0.1 -0.505 25.5-119.1 -83.9 158.0 -34.3 -15.6 3.7 72 109 A Q T 3 S+ 0 0 75 -53,-0.5 -1,-0.1 -51,-0.3 -52,-0.1 0.703 111.5 64.9 -69.5 -20.0 -34.6 -14.1 0.3 73 110 A D T 3 S- 0 0 89 -54,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.454 124.0 -99.7 -83.5 -0.2 -38.4 -14.2 0.6 74 111 A G S < S+ 0 0 54 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.0 0.005 78.2 135.9 110.7 -27.5 -38.3 -11.7 3.4 75 112 A R - 0 0 82 -5,-0.1 -4,-2.9 1,-0.0 2,-0.4 -0.260 35.7-160.9 -60.2 137.1 -38.6 -14.0 6.4 76 113 A V E +E 70 0A 95 -6,-0.2 2,-0.3 2,-0.0 -6,-0.2 -0.972 11.3 177.3-122.3 135.9 -36.2 -13.4 9.3 77 114 A F E -E 69 0A 26 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.4 -0.902 30.0-129.3-129.8 158.9 -35.3 -15.8 12.0 78 115 A E E -E 68 0A 119 -2,-0.3 18,-0.3 -10,-0.2 2,-0.3 -0.923 38.7-142.1-100.3 138.2 -33.1 -16.0 15.1 79 116 A A - 0 0 9 -12,-2.6 2,-0.5 -2,-0.4 -12,-0.4 -0.788 6.6-133.2-113.1 147.3 -31.0 -19.2 14.8 80 117 A L E -F 94 0A 116 14,-2.7 14,-1.7 -2,-0.3 2,-1.2 -0.813 24.7-125.5 -94.1 130.5 -29.8 -21.8 17.4 81 118 A L E -F 93 0A 83 -2,-0.5 12,-0.2 12,-0.2 3,-0.1 -0.637 28.2-179.0 -76.1 98.6 -26.2 -22.8 17.1 82 119 A V E - 0 0 37 10,-1.7 2,-0.3 -2,-1.2 -1,-0.2 0.892 59.0 -55.7 -64.2 -41.6 -26.4 -26.6 16.8 83 120 A G E -F 92 0A 6 9,-1.2 9,-2.7 -3,-0.1 2,-0.3 -0.930 47.0-139.9 171.7 166.9 -22.7 -27.0 16.7 84 121 A S E -F 91 0A 39 131,-0.5 2,-0.4 -2,-0.3 133,-0.3 -0.969 2.6-152.4-146.0 160.1 -19.4 -26.1 15.0 85 122 A D E >> -F 90 0A 14 5,-2.8 4,-1.5 -2,-0.3 5,-1.4 -0.909 4.1-163.9-140.8 109.0 -16.1 -27.7 13.9 86 123 A S T 45S+ 0 0 50 -2,-0.4 -1,-0.1 1,-0.2 -27,-0.1 0.857 89.0 63.1 -55.7 -38.6 -12.9 -25.7 13.7 87 124 A L T 45S+ 0 0 66 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.893 119.0 22.7 -59.6 -44.6 -11.2 -28.5 11.6 88 125 A T T 45S- 0 0 5 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.524 102.0-127.5 -96.8 -8.1 -13.7 -28.2 8.7 89 126 A D T <5 + 0 0 36 -4,-1.5 -31,-1.4 1,-0.2 2,-0.3 0.855 63.7 139.0 59.2 36.8 -14.6 -24.6 9.5 90 127 A L E < -DF 57 85A 3 -5,-1.4 -5,-2.8 -33,-0.3 2,-0.3 -0.773 30.6-179.3-109.1 156.6 -18.3 -25.7 9.4 91 128 A A E -DF 56 84A 0 -35,-2.0 -35,-2.0 -2,-0.3 2,-0.4 -0.986 16.2-141.2-150.8 148.2 -21.2 -24.8 11.7 92 129 A V E -DF 55 83A 1 -9,-2.7 -10,-1.7 -2,-0.3 -9,-1.2 -0.929 14.9-167.5-115.8 137.3 -24.9 -25.8 11.8 93 130 A L E -DF 54 81A 0 -39,-2.7 -39,-2.9 -2,-0.4 2,-0.4 -0.852 6.8-149.7-119.5 156.7 -27.8 -23.6 12.7 94 131 A K E +DF 53 80A 50 -14,-1.7 -14,-2.7 -2,-0.3 2,-0.3 -0.981 16.8 176.4-129.1 139.4 -31.4 -24.3 13.5 95 132 A I - 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