==== 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 INHIBITOR 05-OCT-09 3K4D . COMPND 2 MOLECULE: BETA-GLUCURONIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.D.WALLACE,M.R.REDINBO . 1194 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 755 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 18.1 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 . 10 0.8 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-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 112 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.6 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 2 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 1 5 7 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 PARALLEL BRIDGES PER LADDER . 9 5 3 6 6 5 1 4 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 . 4 5 3 1 2 0 0 1 0 1 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 0 133 0, 0.0 2,-0.3 0, 0.0 392,-0.0 0.000 360.0 360.0 360.0-144.1 -41.7 -28.9 27.2 2 0 A H - 0 0 78 2,-0.0 2,-0.5 186,-0.0 186,-0.1 -0.911 360.0-155.9-122.3 145.0 -39.4 -26.2 28.7 3 1 A M + 0 0 23 -2,-0.3 2,-0.3 390,-0.3 186,-0.2 -0.946 14.4 172.7-132.4 112.4 -35.6 -26.2 28.7 4 2 A L - 0 0 17 -2,-0.5 390,-0.0 184,-0.1 -2,-0.0 -0.847 39.4-111.8-104.4 153.7 -33.3 -24.5 31.1 5 3 A R - 0 0 60 -2,-0.3 2,-0.1 389,-0.1 -2,-0.0 -0.774 36.6-109.0 -88.7 121.2 -29.6 -25.1 30.9 6 4 A P + 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.276 46.9 168.3 -53.5 114.9 -28.2 -27.0 33.9 7 5 A V - 0 0 54 -2,-0.1 2,-0.3 5,-0.0 4,-0.1 -0.921 29.0-115.7-121.2 157.2 -26.1 -24.8 36.1 8 6 A E + 0 0 32 -2,-0.3 4,-0.2 1,-0.1 171,-0.0 -0.666 65.4 87.9 -97.6 145.1 -24.8 -25.5 39.5 9 7 A T S S- 0 0 32 2,-2.8 -1,-0.1 -2,-0.3 258,-0.1 -0.695 111.3 -2.2-179.4-100.9 -25.4 -23.8 42.8 10 8 A P S S+ 0 0 27 0, 0.0 2,-0.3 0, 0.0 667,-0.1 0.892 135.8 67.6 -64.6 -39.8 -28.4 -25.1 44.9 11 9 A T S S- 0 0 9 255,-0.4 -2,-2.8 -4,-0.1 2,-0.3 -0.605 78.3-161.8 -79.6 135.1 -28.7 -27.3 41.8 12 10 A R - 0 0 7 -2,-0.3 168,-1.8 -4,-0.2 2,-0.4 -0.958 9.4-147.8-130.3 148.3 -26.1 -30.0 41.1 13 11 A E E -A 179 0A 39 -2,-0.3 2,-0.5 166,-0.2 166,-0.2 -0.893 5.9-162.1-109.7 134.1 -24.7 -32.2 38.2 14 12 A I E -A 178 0A 14 164,-3.0 164,-2.2 -2,-0.4 598,-0.1 -0.947 24.5-142.7-101.2 136.0 -23.2 -35.6 38.1 15 13 A K + 0 0 31 -2,-0.5 -1,-0.2 162,-0.2 161,-0.2 0.985 28.9 170.9 -68.7 -62.2 -21.5 -35.8 34.7 16 14 A K + 0 0 0 1,-0.2 160,-0.2 161,-0.1 -1,-0.1 0.871 57.1 106.0 45.3 35.3 -22.1 -39.4 33.5 17 15 A L + 0 0 27 158,-0.1 -1,-0.2 33,-0.0 32,-0.1 0.022 43.0 129.8-122.5 5.0 -20.6 -37.9 30.4 18 16 A D - 0 0 46 1,-0.1 158,-0.1 158,-0.1 0, 0.0 -0.453 65.2-134.3 -44.7 137.9 -17.8 -40.1 31.8 19 17 A G S S+ 0 0 4 29,-0.1 2,-0.8 -2,-0.1 30,-0.3 0.804 70.5 95.6 -91.9 -30.5 -17.3 -41.7 28.5 20 18 A L + 0 0 74 28,-0.2 2,-0.3 26,-0.1 28,-0.2 -0.517 46.2 155.6 -78.8 108.6 -17.0 -45.4 28.8 21 19 A W E -D 47 0B 5 26,-2.5 26,-1.9 -2,-0.8 2,-0.2 -0.888 46.7-102.4-121.8 156.2 -20.4 -47.2 28.1 22 20 A A E -DE 46 72B 24 50,-3.7 50,-2.7 -2,-0.3 2,-0.4 -0.573 44.9-172.9 -75.1 143.3 -21.3 -50.6 27.0 23 21 A F E +DE 45 71B 5 22,-1.4 22,-2.7 48,-0.2 2,-0.3 -0.998 15.5 160.6-146.1 135.2 -22.3 -50.7 23.3 24 22 A S E - E 0 70B 10 46,-1.5 46,-2.9 -2,-0.4 2,-0.2 -0.991 34.1-116.9-148.7 155.1 -23.7 -53.2 20.8 25 23 A L E - E 0 69B 25 -2,-0.3 2,-0.3 44,-0.2 44,-0.2 -0.495 14.6-144.9 -81.6 159.5 -25.5 -53.2 17.5 26 24 A D E > + E 0 68B 1 42,-1.9 3,-0.7 -2,-0.2 42,-0.5 -0.645 33.5 160.7-123.0 69.9 -29.0 -54.6 17.3 27 25 A R T 3 S+ 0 0 150 -2,-0.3 -1,-0.1 1,-0.3 39,-0.0 0.822 76.7 42.2 -66.4 -33.1 -28.7 -56.1 13.8 28 26 A E T 3 S- 0 0 154 -3,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.589 104.9-125.7 -87.5 -11.2 -31.6 -58.4 14.3 29 27 A N < + 0 0 71 -3,-0.7 4,-0.3 39,-0.2 3,-0.1 0.910 70.0 133.1 60.4 42.2 -33.8 -55.8 16.0 30 28 A C > + 0 0 29 1,-0.1 4,-2.7 2,-0.1 5,-0.3 0.677 41.7 93.7 -82.2 -26.9 -34.2 -58.3 18.9 31 29 A G T 4>S+ 0 0 0 1,-0.2 5,-2.1 2,-0.2 6,-0.3 0.699 86.5 37.9 -48.8 -42.0 -33.4 -55.6 21.4 32 30 A I T >45S+ 0 0 68 3,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.912 116.7 52.0 -78.0 -43.8 -36.9 -54.3 22.3 33 31 A D T 345S+ 0 0 119 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.909 116.5 40.0 -54.1 -45.8 -38.5 -57.8 22.2 34 32 A Q T 3<5S- 0 0 102 -4,-2.7 -1,-0.2 3,-0.0 -2,-0.2 0.452 106.1-129.7 -90.3 -0.3 -35.9 -59.2 24.5 35 33 A R T X 5 - 0 0 124 -3,-0.8 3,-3.4 -5,-0.3 4,-0.3 0.905 29.1-175.4 54.7 50.8 -35.9 -56.1 26.7 36 34 A W G > - 0 0 12 1,-0.1 3,-0.5 -4,-0.1 2,-0.3 -0.373 41.7-135.4 -59.0 133.1 -25.9 -55.7 27.5 42 40 A Q T 3 S+ 0 0 103 1,-0.2 -1,-0.1 -3,-0.1 -6,-0.0 -0.748 80.7 12.9 -99.4 144.2 -24.6 -58.9 25.9 43 41 A E T 3 S+ 0 0 179 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.881 93.6 165.2 60.0 43.9 -21.7 -59.0 23.4 44 42 A S < - 0 0 53 -3,-0.5 2,-0.3 -20,-0.1 -20,-0.2 -0.765 25.2-160.9-103.1 131.3 -21.0 -55.4 24.4 45 43 A R E -D 23 0B 81 -22,-2.7 -22,-1.4 -2,-0.4 2,-0.1 -0.730 32.2 -92.9-104.2 155.8 -17.8 -53.4 23.6 46 44 A A E +D 22 0B 21 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.395 45.4 178.9 -63.7 137.5 -16.5 -50.2 25.2 47 45 A I E -D 21 0B 0 -26,-1.9 -26,-2.5 -28,-0.1 2,-0.4 -0.971 24.8-119.3-139.8 152.6 -17.5 -46.9 23.6 48 46 A A - 0 0 1 -2,-0.3 -28,-0.2 -28,-0.2 -29,-0.1 -0.770 29.2-131.4 -94.5 135.4 -16.8 -43.3 24.4 49 47 A V S S+ 0 0 0 -2,-0.4 2,-0.2 -30,-0.3 127,-0.2 -0.934 85.9 42.4-135.1 104.6 -19.5 -40.8 25.2 50 48 A P S S+ 0 0 23 0, 0.0 123,-0.3 0, 0.0 2,-0.2 0.166 102.1 91.7-111.4 151.1 -20.1 -38.0 24.1 51 49 A G S S- 0 0 0 121,-2.6 121,-0.3 -2,-0.2 123,-0.1 -0.754 78.5 -90.4 166.9 151.7 -19.2 -39.1 20.6 52 50 A S - 0 0 0 -2,-0.2 119,-0.2 121,-0.2 4,-0.2 -0.460 31.9-144.3 -64.5 152.1 -20.6 -40.5 17.3 53 51 A F S S+ 0 0 1 117,-2.7 3,-0.5 -2,-0.1 4,-0.4 0.675 82.5 79.3 -88.9 -19.1 -20.5 -44.2 17.3 54 52 A N S S+ 0 0 2 116,-0.6 5,-0.5 1,-0.2 3,-0.4 0.881 100.3 28.6 -64.8 -46.0 -19.6 -44.6 13.7 55 53 A D S > S+ 0 0 21 1,-0.2 3,-1.2 248,-0.2 -1,-0.2 0.504 92.9 92.7 -94.3 -5.7 -15.9 -43.9 13.6 56 54 A Q T 3 S+ 0 0 0 -3,-0.5 860,-0.3 1,-0.2 -1,-0.2 0.742 94.1 36.8 -63.6 -23.9 -14.8 -45.0 17.1 57 55 A F T 3 S- 0 0 8 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.234 98.0-125.5-117.0 11.4 -13.9 -48.6 16.0 58 56 A A < + 0 0 55 -3,-1.2 2,-0.4 1,-0.2 -3,-0.1 0.868 66.3 135.7 42.1 47.0 -12.4 -48.1 12.5 59 57 A D >> - 0 0 59 -5,-0.5 4,-2.2 1,-0.1 3,-0.6 -0.958 51.1-152.3-130.2 114.9 -14.9 -50.6 11.2 60 58 A A H 3> S+ 0 0 57 -2,-0.4 4,-2.5 1,-0.2 -1,-0.1 0.804 95.0 53.5 -51.5 -38.1 -16.8 -50.0 7.9 61 59 A D H 34 S+ 0 0 101 2,-0.2 -1,-0.2 1,-0.2 -7,-0.0 0.847 110.0 44.7 -76.8 -34.8 -19.8 -52.1 9.0 62 60 A I H X4 S+ 0 0 11 -3,-0.6 3,-0.8 2,-0.2 -1,-0.2 0.855 114.8 52.6 -67.4 -36.9 -20.4 -50.3 12.3 63 61 A R H 3< S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.914 113.8 40.4 -64.5 -44.4 -19.9 -47.0 10.4 64 62 A N T 3< S+ 0 0 80 -4,-2.5 96,-0.3 -5,-0.2 -1,-0.2 0.271 88.8 135.6 -91.6 11.7 -22.5 -47.8 7.7 65 63 A Y < - 0 0 23 -3,-0.8 2,-0.4 -5,-0.1 94,-0.1 -0.339 35.6-165.9 -65.2 137.7 -24.9 -49.4 10.2 66 64 A A + 0 0 12 92,-0.2 2,-0.4 -2,-0.1 92,-0.2 -0.992 51.2 27.1-124.0 129.6 -28.6 -48.5 9.9 67 65 A G S S- 0 0 0 -2,-0.4 71,-1.3 -42,-0.0 2,-0.3 -0.938 96.1 -2.7 125.8-149.7 -31.1 -49.2 12.7 68 66 A N E +EF 26 137B 14 -42,-0.5 -42,-1.9 -2,-0.4 2,-0.3 -0.642 47.3 178.0 -94.6 137.2 -30.8 -49.7 16.5 69 67 A V E -EF 25 136B 1 67,-2.1 67,-2.8 -2,-0.3 2,-0.5 -0.934 18.9-136.0-128.8 156.7 -27.8 -49.5 18.7 70 68 A W E -EF 24 135B 0 -46,-2.9 -46,-1.5 -2,-0.3 2,-0.4 -0.944 11.9-169.3-122.8 132.5 -27.6 -49.9 22.5 71 69 A Y E -EF 23 134B 0 63,-2.6 63,-2.7 -2,-0.5 2,-0.4 -0.957 13.7-175.6-110.1 134.6 -25.6 -47.9 25.1 72 70 A Q E +EF 22 133B 13 -50,-2.7 -50,-3.7 -2,-0.4 2,-0.3 -0.995 9.7 159.8-138.7 147.5 -25.5 -49.2 28.6 73 71 A R E - F 0 132B 38 59,-1.6 59,-3.4 -2,-0.4 2,-0.4 -0.987 27.4-140.9-160.5 137.1 -24.0 -47.8 31.8 74 72 A E E - F 0 131B 114 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.923 29.9-179.4-105.3 139.4 -24.3 -48.3 35.6 75 73 A V E - F 0 130B 2 55,-2.6 55,-3.1 -2,-0.4 2,-0.6 -0.955 25.6-119.9-140.8 159.7 -24.1 -45.2 37.8 76 74 A F E - F 0 129B 45 -2,-0.3 53,-0.2 53,-0.3 50,-0.1 -0.859 18.3-140.0-104.3 120.5 -24.2 -44.0 41.4 77 75 A I - 0 0 2 51,-2.2 50,-1.7 -2,-0.6 48,-0.0 -0.626 37.8-106.2 -71.8 126.1 -26.8 -41.6 42.7 78 76 A P > - 0 0 2 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.327 21.6-133.7 -52.2 133.1 -25.1 -39.2 45.1 79 77 A K G > S+ 0 0 86 1,-0.3 3,-1.3 47,-0.2 47,-0.1 0.908 104.4 60.4 -56.1 -43.8 -26.1 -40.1 48.7 80 78 A G G 3 S+ 0 0 24 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.492 77.8 91.9 -64.4 -3.7 -26.7 -36.5 49.5 81 79 A W G X + 0 0 2 -3,-1.7 3,-2.4 1,-0.2 -1,-0.2 0.751 55.6 150.7 -71.1 -28.0 -29.4 -36.3 46.8 82 80 A A T < S- 0 0 81 -3,-1.3 44,-0.3 1,-0.3 -1,-0.2 0.009 72.7 -14.9 54.5-117.1 -32.1 -37.2 49.4 83 81 A G T 3 S+ 0 0 52 -3,-0.2 -1,-0.3 2,-0.1 100,-0.1 0.126 99.3 124.8-110.8 19.2 -35.4 -35.7 48.5 84 82 A Q S < S- 0 0 43 -3,-2.4 2,-0.7 1,-0.1 -3,-0.0 -0.320 76.2 -89.7 -67.5 156.6 -34.3 -33.2 45.9 85 83 A R E -B 181 0A 24 96,-3.1 96,-2.0 99,-0.1 2,-0.5 -0.640 47.1-159.7 -65.4 112.0 -35.8 -33.2 42.3 86 84 A I E -B 180 0A 4 -2,-0.7 34,-2.7 94,-0.2 35,-1.2 -0.871 10.0-173.2-100.3 128.8 -33.5 -35.6 40.4 87 85 A V E -BC 179 119A 0 92,-3.8 92,-3.3 -2,-0.5 2,-0.6 -0.963 17.8-149.2-126.8 134.0 -33.5 -35.2 36.6 88 86 A L E -BC 178 118A 1 30,-2.6 30,-2.1 -2,-0.4 2,-0.4 -0.917 27.1-175.6-102.9 123.6 -31.8 -37.3 33.9 89 87 A R E -BC 177 117A 2 88,-3.2 88,-3.2 -2,-0.6 2,-0.5 -0.934 22.6-163.6-127.6 142.6 -30.8 -35.2 30.9 90 88 A F E -BC 176 116A 0 26,-2.8 26,-2.1 -2,-0.4 86,-0.2 -0.990 9.2-159.3-121.0 119.8 -29.3 -35.8 27.4 91 89 A D S S- 0 0 0 84,-3.4 2,-0.3 -2,-0.5 85,-0.1 0.809 81.1 -14.8 -67.6 -30.1 -28.0 -32.8 25.6 92 90 A A - 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