==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 05-FEB-10 3LPG . COMPND 2 MOLECULE: BETA-GLUCURONIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.D.WALLACE,M.R.REDINBO . 1206 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 759 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 217 18.0 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 . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 121 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 0 0 0 0 0 2 1 1 0 2 3 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 1 9 4 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 . 13 2 5 6 5 4 3 3 2 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 7 5 0 2 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 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 S 0 0 135 0, 0.0 2,-0.2 0, 0.0 398,-0.0 0.000 360.0 360.0 360.0 178.6 -41.6 8.6 27.4 2 0 A H - 0 0 71 186,-0.0 2,-0.4 2,-0.0 186,-0.1 -0.488 360.0-166.2 -81.2 148.4 -39.4 11.1 29.3 3 1 A X + 0 0 23 396,-0.3 2,-0.4 -2,-0.2 186,-0.3 -0.978 14.2 167.6-141.2 127.2 -35.6 11.1 29.0 4 2 A L - 0 0 19 -2,-0.4 396,-0.1 184,-0.1 395,-0.0 -0.999 40.7-112.3-132.2 137.3 -32.9 12.8 31.0 5 3 A R - 0 0 45 -2,-0.4 2,-0.2 395,-0.2 -2,-0.0 -0.549 42.4-113.1 -65.8 124.4 -29.2 12.1 30.8 6 4 A P + 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.430 41.9 171.8 -59.2 126.7 -28.1 10.4 34.1 7 5 A V - 0 0 56 -2,-0.2 4,-0.1 5,-0.0 -3,-0.0 -0.801 38.2-108.7-125.8 178.6 -25.8 12.5 36.3 8 6 A E S S+ 0 0 32 -2,-0.3 259,-0.1 1,-0.1 5,-0.0 0.050 71.1 113.3-106.3 27.9 -24.6 11.7 39.9 9 7 A T S S- 0 0 39 257,-0.2 -1,-0.1 1,-0.2 258,-0.1 0.962 107.6 -20.9 -69.9 -62.7 -26.3 14.2 42.3 10 8 A P S S+ 0 0 22 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.251 138.8 77.7-115.9 -3.2 -28.7 12.4 44.7 11 9 A T - 0 0 12 255,-0.3 2,-0.3 -4,-0.1 170,-0.2 -0.552 67.7-164.2 -93.8 159.9 -28.6 9.9 41.9 12 10 A R - 0 0 12 168,-0.4 168,-2.3 -2,-0.2 2,-0.5 -0.990 8.4-143.9-151.7 146.1 -25.8 7.4 41.1 13 11 A E E -A 179 0A 29 -2,-0.3 2,-0.8 166,-0.2 166,-0.2 -0.918 9.1-163.2-111.8 128.4 -24.7 5.2 38.2 14 12 A I E -A 178 0A 18 164,-2.6 164,-1.9 -2,-0.5 604,-0.1 -0.953 27.9-150.8 -95.4 108.1 -23.2 1.7 38.2 15 13 A K + 0 0 44 -2,-0.8 161,-0.2 162,-0.2 -1,-0.2 0.892 20.7 179.9 -55.0 -52.4 -21.9 2.0 34.7 16 14 A K + 0 0 0 1,-0.2 -1,-0.2 161,-0.1 161,-0.1 0.704 54.3 111.0 54.8 23.6 -22.0 -1.7 33.7 17 15 A L + 0 0 40 158,-0.1 32,-0.3 33,-0.0 -1,-0.2 0.448 43.9 137.9 -97.2 -5.2 -20.6 -0.4 30.3 18 16 A D - 0 0 55 158,-0.1 158,-0.0 1,-0.1 31,-0.0 -0.183 63.5-120.6 -43.3 131.1 -17.9 -2.4 31.9 19 17 A G S S+ 0 0 8 29,-0.1 30,-1.0 31,-0.0 2,-0.3 0.837 77.1 82.1 -56.6 -58.1 -16.8 -4.1 28.8 20 18 A L E +D 48 0B 75 28,-0.2 2,-0.3 26,-0.1 28,-0.2 -0.344 44.8 153.0 -76.1 122.5 -17.0 -7.9 28.9 21 19 A W E -D 47 0B 8 26,-2.1 26,-1.7 -2,-0.3 2,-0.2 -0.876 47.2 -98.3-127.9 165.1 -20.3 -9.7 28.3 22 20 A A E -DE 46 72B 23 50,-3.8 50,-1.2 -2,-0.3 2,-0.3 -0.614 44.5-170.4 -81.9 147.3 -21.1 -13.2 27.0 23 21 A F E +DE 45 71B 4 22,-1.2 22,-3.5 -2,-0.2 2,-0.3 -0.999 18.2 151.7-146.4 138.7 -22.0 -13.4 23.3 24 22 A S E - E 0 70B 13 46,-1.2 46,-2.3 -2,-0.3 20,-0.1 -0.962 34.0-119.6-160.3 151.8 -23.4 -15.9 20.8 25 23 A L E - E 0 69B 30 -2,-0.3 2,-0.4 44,-0.2 44,-0.2 -0.146 11.8-139.5 -81.1-176.9 -25.5 -15.8 17.7 26 24 A D E + E 0 68B 6 42,-1.0 42,-0.5 1,-0.1 -2,-0.0 -0.867 30.8 163.8-146.5 102.9 -28.9 -17.4 17.1 27 25 A R S S+ 0 0 143 -2,-0.4 -1,-0.1 1,-0.1 42,-0.0 0.662 81.3 40.9-100.6 -24.1 -28.6 -18.8 13.6 28 26 A E S S- 0 0 158 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.522 102.9-131.0-101.2 -7.8 -31.6 -21.0 14.0 29 27 A N + 0 0 59 39,-0.2 4,-0.2 1,-0.1 3,-0.1 0.922 68.5 127.2 54.7 49.3 -33.7 -18.4 15.9 30 28 A C > + 0 0 30 2,-0.1 4,-1.7 1,-0.1 -1,-0.1 0.034 37.6 104.2-113.6 19.6 -34.6 -20.8 18.7 31 29 A G T 4>S+ 0 0 0 2,-0.2 5,-2.5 1,-0.2 6,-0.3 0.816 85.9 36.7 -73.0 -32.9 -33.4 -18.3 21.3 32 30 A I T >45S+ 0 0 60 3,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.839 114.4 54.6 -87.6 -38.7 -36.8 -17.2 22.4 33 31 A D T 345S+ 0 0 121 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.1 0.902 115.5 41.1 -57.5 -41.0 -38.5 -20.6 22.0 34 32 A Q T 3<5S- 0 0 98 -4,-1.7 -1,-0.2 4,-0.0 -2,-0.2 0.367 108.5-128.5 -92.3 3.7 -35.8 -22.0 24.4 35 33 A R T X 5 - 0 0 117 -3,-0.9 3,-2.3 1,-0.1 4,-0.3 0.889 30.4-175.7 53.1 51.0 -35.9 -18.9 26.7 36 34 A W G > - 0 0 12 -4,-0.1 3,-0.7 1,-0.1 -1,-0.1 -0.415 46.6-141.9 -55.9 114.4 -25.7 -18.3 27.4 42 40 A Q T 3 S+ 0 0 108 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 -0.438 77.3 14.0 -79.1 157.9 -24.4 -21.6 26.2 43 41 A E T 3 S+ 0 0 181 1,-0.2 -1,-0.2 -2,-0.1 2,-0.2 0.803 96.0 153.8 42.5 39.1 -21.6 -21.8 23.6 44 42 A S < - 0 0 47 -3,-0.7 2,-0.3 -20,-0.1 -20,-0.2 -0.604 31.8-154.2 -97.6 157.1 -20.9 -18.1 24.2 45 43 A R E -D 23 0B 94 -22,-3.5 -22,-1.2 -2,-0.2 -24,-0.1 -0.912 31.7 -88.4-127.6 155.9 -17.7 -16.0 23.7 46 44 A A E -D 22 0B 18 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.267 45.0-179.7 -62.4 144.8 -16.5 -12.8 25.2 47 45 A I E -D 21 0B 0 -26,-1.7 -26,-2.1 -28,-0.1 2,-0.4 -0.981 25.7-121.9-145.2 149.8 -17.5 -9.5 23.6 48 46 A A E -D 20 0B 1 -2,-0.3 -28,-0.2 -28,-0.2 -29,-0.1 -0.803 26.9-139.8 -98.0 137.0 -16.7 -5.9 24.4 49 47 A V S S+ 0 0 0 -30,-1.0 127,-0.3 -2,-0.4 2,-0.1 -0.609 81.8 54.9-135.9 75.4 -19.6 -3.6 25.1 50 48 A P S S+ 0 0 22 0, 0.0 123,-0.3 0, 0.0 2,-0.3 -0.481 103.6 72.3-119.1 115.9 -19.9 -0.3 24.0 51 49 A G S S- 0 0 0 121,-2.9 2,-0.3 123,-0.2 254,-0.2 -0.967 85.7 -77.8 173.9 174.7 -19.3 -1.5 20.4 52 50 A S - 0 0 0 252,-1.8 4,-0.4 -2,-0.3 119,-0.2 -0.695 30.8-145.5 -90.3 149.2 -20.4 -3.2 17.2 53 51 A F S S+ 0 0 1 117,-2.5 4,-0.4 -2,-0.3 118,-0.1 0.632 84.7 76.6 -85.8 -14.1 -20.3 -7.0 17.3 54 52 A N S > >S+ 0 0 2 116,-0.5 3,-0.5 1,-0.2 5,-0.5 0.937 99.7 30.9 -66.6 -52.1 -19.4 -7.3 13.7 55 53 A D G > 5S+ 0 0 20 248,-0.3 3,-1.3 1,-0.2 -1,-0.2 0.618 95.2 87.2 -87.3 -15.7 -15.7 -6.4 13.6 56 54 A Q G 3 5S+ 0 0 0 -4,-0.4 866,-0.3 1,-0.2 -1,-0.2 0.715 94.7 40.0 -60.2 -22.7 -14.6 -7.6 17.0 57 55 A F G < 5S- 0 0 6 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.293 95.3-126.9-116.5 11.0 -13.9 -11.2 15.9 58 56 A A T < 5 + 0 0 58 -3,-1.3 2,-0.5 1,-0.2 -3,-0.1 0.877 67.7 134.3 42.8 43.5 -12.3 -10.8 12.5 59 57 A D >< - 0 0 60 -5,-0.5 4,-2.0 1,-0.1 -1,-0.2 -0.968 49.6-159.1-129.1 116.7 -14.9 -13.2 11.2 60 58 A A H > S+ 0 0 61 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.821 93.7 55.6 -61.7 -34.6 -16.8 -12.6 8.0 61 59 A D H 4 S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.913 111.5 42.4 -66.9 -43.9 -19.7 -14.8 9.0 62 60 A I H >4 S+ 0 0 16 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.820 114.6 53.6 -68.7 -32.0 -20.3 -13.0 12.2 63 61 A R H 3< S+ 0 0 58 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.858 113.7 39.1 -73.7 -36.1 -19.8 -9.7 10.4 64 62 A N T 3< S+ 0 0 80 -4,-2.2 96,-0.3 -5,-0.1 -1,-0.2 0.286 88.5 137.0 -96.9 9.7 -22.4 -10.3 7.7 65 63 A Y < - 0 0 20 -3,-0.5 2,-0.4 -4,-0.2 94,-0.1 -0.283 36.1-163.0 -63.1 135.2 -24.8 -12.0 10.1 66 64 A A + 0 0 16 92,-0.2 2,-0.3 2,-0.1 92,-0.2 -0.977 52.1 27.3-117.4 135.8 -28.5 -11.2 9.9 67 65 A G S S- 0 0 1 -2,-0.4 71,-1.1 -42,-0.0 2,-0.3 -0.893 95.7 -2.8 122.4-150.2 -31.0 -11.9 12.7 68 66 A N E +EF 26 137B 14 -42,-0.5 -42,-1.0 -2,-0.3 2,-0.3 -0.618 45.7 176.3 -94.4 137.9 -30.7 -12.3 16.4 69 67 A V E -EF 25 136B 1 67,-2.4 67,-3.0 -2,-0.3 2,-0.4 -0.911 19.3-137.6-127.4 160.6 -27.7 -12.1 18.7 70 68 A W E -EF 24 135B 0 -46,-2.3 -46,-1.2 -2,-0.3 2,-0.3 -0.969 11.4-168.2-127.4 131.4 -27.6 -12.4 22.5 71 69 A Y E +EF 23 134B 0 63,-2.9 63,-2.2 -2,-0.4 2,-0.3 -0.832 16.0 170.7-106.8 154.4 -25.6 -10.4 25.1 72 70 A Q E +EF 22 133B 14 -50,-1.2 -50,-3.8 -2,-0.3 2,-0.3 -0.952 8.7 153.3-165.3 143.3 -25.4 -11.4 28.8 73 71 A R E - F 0 132B 46 59,-1.3 59,-2.5 -2,-0.3 2,-0.4 -0.964 34.2-121.0-165.2 152.6 -23.6 -10.6 32.0 74 72 A E E - F 0 131B 127 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.862 32.7-179.0-102.1 136.1 -24.1 -10.8 35.8 75 73 A V E - F 0 130B 3 55,-2.0 55,-2.9 -2,-0.4 2,-0.3 -0.963 23.4-123.3-135.4 152.6 -23.9 -7.6 37.9 76 74 A F E - F 0 129B 45 -2,-0.3 53,-0.2 53,-0.2 50,-0.1 -0.720 19.0-134.8 -91.8 141.3 -24.2 -6.6 41.6 77 75 A I - 0 0 0 51,-2.1 50,-1.4 -2,-0.3 4,-0.1 -0.863 36.0-106.7 -93.1 120.5 -26.7 -4.1 42.8 78 76 A P > - 0 0 6 0, 0.0 3,-2.2 0, 0.0 50,-0.1 -0.200 21.7-135.8 -46.2 127.1 -25.1 -1.7 45.2 79 77 A K G > S+ 0 0 95 1,-0.3 3,-0.7 47,-0.2 47,-0.1 0.828 103.2 66.3 -56.1 -33.1 -26.2 -2.5 48.7 80 78 A G G 3 S+ 0 0 26 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.473 80.8 79.8 -70.3 -0.7 -26.7 1.2 49.4 81 79 A W G X + 0 0 2 -3,-2.2 3,-0.8 1,-0.2 -1,-0.3 -0.007 59.5 134.6 -93.3 27.6 -29.5 1.1 46.8 82 80 A A T < S+ 0 0 88 -3,-0.7 44,-0.3 1,-0.2 -1,-0.2 0.865 77.8 11.4 -43.2 -60.6 -31.8 -0.3 49.5 83 81 A G T 3 S+ 0 0 55 -3,-0.3 -1,-0.2 2,-0.1 100,-0.2 0.096 102.4 116.6-116.0 25.3 -34.9 1.7 49.0 84 82 A Q S < S- 0 0 35 -3,-0.8 2,-0.9 98,-0.1 -3,-0.0 -0.449 74.1 -99.3 -94.1 161.5 -34.3 3.6 45.7 85 83 A R E -B 181 0A 20 96,-2.9 96,-1.5 -2,-0.1 2,-0.6 -0.707 44.5-161.3 -70.8 107.3 -35.8 3.8 42.2 86 84 A I E -B 180 0A 4 -2,-0.9 34,-2.6 94,-0.2 35,-0.5 -0.856 8.6-170.9-100.0 116.2 -33.4 1.6 40.4 87 85 A V E -BC 179 119A 0 92,-3.2 92,-2.8 -2,-0.6 2,-0.5 -0.881 16.6-150.3-112.1 136.3 -33.4 2.1 36.6 88 86 A L E -BC 178 118A 1 30,-2.2 30,-1.9 -2,-0.4 2,-0.4 -0.914 25.2-174.3-100.9 127.1 -31.7 0.1 33.9 89 87 A R E -BC 177 117A 1 88,-3.2 88,-2.1 -2,-0.5 2,-0.6 -0.980 21.6-163.3-132.0 131.4 -30.8 2.2 30.9 90 88 A F E -BC 176 116A 0 26,-2.6 26,-1.8 -2,-0.4 86,-0.2 -0.946 9.0-158.7-109.4 113.7 -29.3 1.5 27.5 91 89 A D S S- 0 0 7 84,-2.9 2,-0.3 -2,-0.6 85,-0.1 0.773 81.3 -15.4 -57.2 -27.6 -27.9 4.5 25.8 92 90 A A - 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