==== 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 05-OCT-09 3K4A . COMPND 2 MOLECULE: BETA-GLUCURONIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.D.WALLACE,J.ORANS,M.R.REDINBO . 1192 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 694 58.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 165 13.8 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.8 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 . 128 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 14.2 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 4 0 1 0 1 0 0 0 2 0 2 3 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 6 4 5 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 . 9 6 5 5 3 3 3 1 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 . 4 4 3 0 2 0 0 1 0 0 1 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 0 151 0, 0.0 388,-0.0 0, 0.0 115,-0.0 0.000 360.0 360.0 360.0 106.2 -5.4 -33.0 -24.3 2 0 A H - 0 0 78 1,-0.1 2,-0.0 186,-0.0 387,-0.0 0.802 360.0-178.1 85.7 37.3 -3.6 -29.9 -23.2 3 1 A X - 0 0 27 112,-0.1 2,-0.3 185,-0.1 186,-0.2 -0.287 19.7-160.5-101.6 166.6 -0.1 -30.3 -22.1 4 2 A L - 0 0 14 182,-0.1 389,-0.1 184,-0.1 -1,-0.0 -0.797 38.7 -89.9-121.2 166.8 3.0 -28.3 -20.7 5 3 A R - 0 0 106 -2,-0.3 2,-0.5 388,-0.1 388,-0.0 -0.614 40.8-109.6 -87.4 130.8 6.6 -29.2 -20.6 6 4 A P + 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.477 46.9 171.9 -60.9 111.8 8.0 -31.1 -17.6 7 5 A V - 0 0 40 -2,-0.5 2,-0.4 5,-0.1 4,-0.1 -0.910 35.2-108.7-117.0 150.4 10.2 -28.6 -15.8 8 6 A E + 0 0 34 -2,-0.3 4,-0.2 2,-0.1 259,-0.0 -0.692 65.7 108.1 -92.3 130.3 11.7 -29.3 -12.4 9 7 A T S S- 0 0 11 2,-4.5 258,-0.1 -2,-0.4 4,-0.1 -0.687 99.8 -30.7-158.8-158.0 10.3 -27.6 -9.5 10 8 A P S S+ 0 0 66 0, 0.0 2,-0.4 0, 0.0 257,-0.1 0.616 135.8 77.1 -46.4 -15.7 8.1 -28.7 -6.6 11 9 A T S S- 0 0 5 255,-0.4 -2,-4.5 -4,-0.1 2,-0.3 -0.847 79.7-167.4 -79.6 138.6 7.3 -30.8 -9.6 12 10 A R E -A 180 0A 36 168,-0.9 168,-2.6 -2,-0.4 2,-0.4 -0.954 5.7-157.6-126.1 155.0 10.1 -33.3 -10.1 13 11 A E E -A 179 0A 32 -2,-0.3 2,-0.5 166,-0.2 166,-0.2 -0.995 8.8-150.1-134.5 139.7 10.8 -35.6 -13.0 14 12 A I E -A 178 0A 32 164,-2.6 164,-2.2 -2,-0.4 2,-0.4 -0.938 20.4-135.7-107.5 125.1 12.7 -38.8 -13.5 15 13 A K E -A 177 0A 54 -2,-0.5 162,-0.2 598,-0.2 598,-0.2 -0.627 20.8-177.8 -80.8 130.0 14.3 -39.3 -16.9 16 14 A K + 0 0 0 160,-1.8 3,-0.4 -2,-0.4 161,-0.2 -0.044 49.5 105.2-119.7 28.1 13.7 -42.8 -18.1 17 15 A L + 0 0 39 1,-0.2 32,-0.3 2,-0.1 -1,-0.1 -0.070 20.1 126.0-106.0 33.7 15.7 -42.6 -21.3 18 16 A D - 0 0 46 1,-0.1 -1,-0.2 2,-0.1 31,-0.2 0.743 63.0-147.6 -66.0 -9.5 18.8 -44.6 -20.7 19 17 A G + 0 0 0 -3,-0.4 2,-1.0 1,-0.2 -1,-0.1 0.748 54.8 134.5 56.9 18.5 17.5 -46.2 -23.8 20 18 A L + 0 0 72 28,-0.2 2,-0.3 26,-0.1 -1,-0.2 -0.912 36.4 147.2 -93.2 100.9 18.9 -49.5 -22.8 21 19 A W E -D 47 0B 6 26,-1.9 26,-1.8 -2,-1.0 2,-0.6 -0.910 55.8-101.7-133.9 164.1 15.7 -51.3 -23.7 22 20 A A E -DE 46 72B 19 50,-3.1 50,-1.8 -2,-0.3 2,-0.4 -0.753 39.8-159.7 -93.0 120.0 14.9 -54.7 -25.0 23 21 A F E +DE 45 71B 5 22,-4.2 22,-2.1 -2,-0.6 2,-0.3 -0.826 14.0 173.0-106.4 135.3 14.0 -54.5 -28.6 24 22 A S E - E 0 70B 11 46,-1.3 46,-2.3 -2,-0.4 2,-0.6 -0.998 27.7-133.4-136.6 149.0 12.1 -57.1 -30.6 25 23 A L E - E 0 69B 29 -2,-0.3 2,-2.3 44,-0.2 3,-0.2 -0.880 11.0-150.8 -97.2 120.3 10.6 -57.3 -34.2 26 24 A D + 0 0 2 42,-1.6 42,-0.3 -2,-0.6 43,-0.0 -0.556 29.4 172.1 -89.0 69.5 7.1 -58.5 -34.2 27 25 A R + 0 0 137 -2,-2.3 2,-0.3 40,-0.1 -1,-0.2 0.915 66.7 35.0 -63.4 -49.5 7.8 -60.0 -37.6 28 26 A E S S- 0 0 142 -3,-0.2 2,-1.6 39,-0.0 3,-0.5 -0.691 110.5 -98.9 -90.4 164.0 4.5 -61.8 -37.9 29 27 A N S S+ 0 0 87 -2,-0.3 4,-0.1 1,-0.2 -2,-0.1 -0.494 88.9 104.3 -93.9 72.8 1.7 -59.9 -36.3 30 28 A C > + 0 0 11 -2,-1.6 4,-3.1 2,-0.1 -1,-0.2 0.527 36.1 101.4-132.6 -17.4 1.4 -61.5 -32.9 31 29 A G T 4>S+ 0 0 0 -3,-0.5 5,-3.0 1,-0.2 6,-0.3 0.888 96.8 39.9 -34.8 -52.5 2.9 -59.3 -30.2 32 30 A I T >45S+ 0 0 78 3,-0.2 3,-1.0 1,-0.2 -1,-0.2 0.863 115.8 53.5 -71.3 -37.5 -0.6 -58.2 -29.3 33 31 A D T 345S+ 0 0 122 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.951 111.0 42.5 -56.9 -56.9 -2.0 -61.8 -29.8 34 32 A Q T 3<5S- 0 0 116 -4,-3.1 -1,-0.2 1,-0.0 -2,-0.1 -0.032 113.6-118.9 -87.7 29.2 0.5 -63.5 -27.5 35 33 A R T X 5 + 0 0 129 -3,-1.0 3,-1.3 -5,-0.2 -3,-0.2 0.830 43.9 177.9 35.6 61.7 0.0 -60.7 -25.1 36 34 A W G > < + 0 0 17 -5,-3.0 3,-1.0 1,-0.3 -1,-0.2 0.720 68.7 69.1 -69.2 -20.9 3.7 -59.7 -25.2 37 35 A W G 3 S+ 0 0 21 -6,-0.3 66,-0.8 1,-0.2 -1,-0.3 0.402 94.9 58.5 -75.9 5.3 3.3 -56.7 -22.9 38 36 A E G < S+ 0 0 20 -3,-1.3 2,-0.2 64,-0.1 -1,-0.2 0.215 107.9 29.0-124.3 6.9 2.7 -59.0 -19.9 39 37 A S S < S- 0 0 51 -3,-1.0 2,-0.4 -4,-0.0 64,-0.1 -0.827 102.5 -48.5-150.7-174.2 5.8 -61.1 -19.8 40 38 A A - 0 0 85 -2,-0.2 2,-0.5 1,-0.1 -2,-0.1 -0.576 61.4-114.1 -68.9 125.3 9.6 -61.1 -20.6 41 39 A L > - 0 0 12 -2,-0.4 3,-0.9 -4,-0.1 -1,-0.1 -0.488 36.3-136.8 -64.3 112.7 10.2 -59.8 -24.1 42 40 A Q T 3 S+ 0 0 95 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.231 78.1 8.2 -69.5 161.8 11.5 -62.8 -26.0 43 41 A E T 3 S+ 0 0 176 1,-0.2 2,-0.6 -19,-0.1 -1,-0.2 0.664 90.8 165.2 44.9 23.1 14.5 -62.6 -28.4 44 42 A S < - 0 0 45 -3,-0.9 -20,-0.2 -20,-0.1 -1,-0.2 -0.610 18.1-167.9 -86.6 114.8 14.9 -59.1 -27.1 45 43 A R E -D 23 0B 86 -22,-2.1 -22,-4.2 -2,-0.6 2,-0.4 -0.398 31.2 -88.7 -88.2 172.9 18.2 -57.3 -27.9 46 44 A A E +D 22 0B 31 -24,-0.2 2,-0.3 -2,-0.1 -24,-0.2 -0.670 48.4 171.5 -84.1 131.7 19.6 -54.1 -26.5 47 45 A I E -D 21 0B 1 -26,-1.8 -26,-1.9 -2,-0.4 2,-0.2 -0.982 29.1-111.9-139.4 154.2 18.7 -50.8 -28.2 48 46 A A - 0 0 2 -2,-0.3 -29,-0.2 -28,-0.2 -28,-0.2 -0.566 27.5-139.0 -85.9 141.8 19.2 -47.1 -27.5 49 47 A V S S+ 0 0 2 1,-0.3 2,-0.1 -32,-0.3 124,-0.1 -0.959 86.7 43.0-142.3 135.0 16.4 -44.6 -26.6 50 48 A P S S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 123,-0.2 0.455 104.2 92.7 -71.5 134.1 16.1 -41.8 -27.6 51 49 A G S S- 0 0 0 121,-3.2 121,-0.2 123,-0.2 254,-0.1 -0.785 77.0-100.9 178.7 148.5 17.1 -43.0 -31.0 52 50 A S - 0 0 0 252,-2.3 4,-0.3 -2,-0.2 119,-0.2 -0.332 29.8-145.2 -63.3 162.6 15.7 -44.2 -34.3 53 51 A F S S+ 0 0 0 117,-1.4 4,-0.3 2,-0.1 -1,-0.1 0.417 78.9 81.8-111.1 -2.8 16.0 -48.0 -34.5 54 52 A N S S+ 0 0 2 116,-0.2 5,-0.3 1,-0.2 3,-0.3 0.902 101.2 30.3 -75.9 -36.6 16.6 -48.4 -38.2 55 53 A D S > S+ 0 0 23 248,-0.2 3,-1.6 1,-0.2 -1,-0.2 0.746 93.6 88.4 -96.7 -26.9 20.3 -47.6 -38.3 56 54 A Q T 3 S+ 0 0 0 -4,-0.3 860,-0.2 1,-0.2 -1,-0.2 0.647 93.6 43.3 -43.8 -25.9 21.5 -48.8 -34.8 57 55 A F T 3 S- 0 0 8 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.348 93.8-128.4-116.4 4.0 22.2 -52.5 -36.0 58 56 A A < + 0 0 62 -3,-1.6 2,-0.5 1,-0.2 -2,-0.1 0.825 66.8 136.0 55.2 30.0 23.9 -52.2 -39.3 59 57 A D >> - 0 0 66 -5,-0.3 4,-1.3 1,-0.1 3,-0.7 -0.951 50.1-155.4-119.4 127.9 21.2 -54.6 -40.5 60 58 A A H 3> S+ 0 0 72 -2,-0.5 4,-2.3 1,-0.2 3,-0.3 0.899 93.5 50.9 -66.4 -46.0 19.3 -54.3 -43.8 61 59 A D H 34 S+ 0 0 109 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.584 111.6 50.8 -73.7 -11.8 16.1 -56.2 -42.9 62 60 A I H <4 S+ 0 0 16 -3,-0.7 -1,-0.3 -8,-0.1 -2,-0.2 0.741 109.7 50.6 -87.2 -27.9 15.8 -54.1 -39.7 63 61 A R H < S+ 0 0 63 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.1 0.981 119.4 32.6 -74.6 -58.4 16.2 -50.9 -41.6 64 62 A N S < S+ 0 0 84 -4,-2.3 96,-0.2 -10,-0.1 -1,-0.2 0.209 91.0 127.3 -89.4 19.3 13.6 -51.5 -44.3 65 63 A Y - 0 0 23 -5,-0.2 -3,-0.1 -3,-0.2 94,-0.1 -0.430 38.5-170.1 -64.7 147.9 11.4 -53.5 -42.0 66 64 A V + 0 0 8 92,-0.2 72,-0.6 -2,-0.1 -1,-0.1 0.725 49.4 62.0-123.1 -23.1 7.7 -52.3 -41.9 67 65 A G S S- 0 0 12 1,-0.2 71,-1.4 91,-0.1 72,-0.4 0.970 91.4 -37.0 -68.5 -89.4 5.3 -53.7 -39.2 68 66 A N E - F 0 137B 11 -42,-0.3 -42,-1.6 69,-0.2 2,-0.3 -0.932 41.1-169.2-150.2 153.9 5.8 -53.4 -35.4 69 67 A V E -EF 25 136B 2 67,-1.5 67,-2.4 -2,-0.3 2,-0.3 -0.972 14.7-136.1-153.4 152.9 8.4 -53.4 -32.8 70 68 A W E -EF 24 135B 0 -46,-2.3 -46,-1.3 -2,-0.3 2,-0.5 -0.892 3.7-156.9-121.9 148.9 8.5 -53.6 -29.1 71 69 A Y E -EF 23 134B 0 63,-1.9 63,-1.8 -2,-0.3 2,-0.4 -0.975 14.6-171.7-124.2 117.1 10.4 -51.7 -26.4 72 70 A Q E +EF 22 133B 15 -50,-1.8 -50,-3.1 -2,-0.5 2,-0.3 -0.913 9.3 168.2-114.9 136.2 10.8 -53.4 -23.0 73 71 A R E - F 0 132B 46 59,-1.4 59,-2.5 -2,-0.4 2,-0.5 -0.962 29.7-143.6-154.0 126.7 12.2 -51.7 -19.9 74 72 A E E + F 0 131B 126 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.784 36.7 179.7 -85.3 126.2 12.4 -52.5 -16.2 75 73 A V E - F 0 130B 6 55,-3.2 55,-1.8 -2,-0.5 2,-0.5 -0.917 23.9-129.3-135.8 164.5 12.0 -49.2 -14.2 76 74 A F E - F 0 129B 25 -2,-0.3 53,-0.2 53,-0.3 50,-0.1 -0.900 10.6-146.0-124.3 111.6 11.9 -47.9 -10.6 77 75 A I - 0 0 4 51,-1.9 50,-0.9 -2,-0.5 48,-0.0 -0.559 33.7-109.8 -72.1 125.2 9.3 -45.5 -9.0 78 76 A P > - 0 0 16 0, 0.0 3,-0.6 0, 0.0 49,-0.5 -0.204 12.1-136.9 -51.7 137.6 10.8 -43.2 -6.5 79 77 A K T 3 S+ 0 0 61 47,-0.2 47,-0.1 1,-0.2 599,-0.1 0.920 100.7 62.4 -53.2 -48.5 9.9 -43.7 -2.8 80 78 A G T 3 S+ 0 0 26 598,-0.3 2,-1.8 597,-0.2 3,-0.2 0.648 75.3 91.6 -64.4 -19.7 9.3 -40.0 -2.2 81 79 A W < + 0 0 3 -3,-0.6 45,-0.2 1,-0.2 -1,-0.1 -0.636 56.8 153.6 -76.8 91.1 6.5 -39.8 -4.7 82 80 A A S S- 0 0 84 -2,-1.8 44,-0.3 1,-0.1 -1,-0.2 0.937 72.0 -2.2 -90.2 -75.8 4.1 -40.5 -1.9 83 81 A G S S+ 0 0 46 -3,-0.2 100,-0.4 2,-0.1 2,-0.3 -0.423 103.5 142.7-112.5 50.2 0.7 -39.1 -2.6 84 82 A Q - 0 0 43 98,-0.1 2,-1.0 99,-0.1 37,-0.2 -0.709 62.5-116.9-101.3 144.1 1.9 -37.7 -5.8 85 83 A R E -B 181 0A 25 96,-2.4 96,-3.0 -2,-0.3 2,-0.7 -0.720 39.0-163.1 -69.2 105.1 0.2 -37.4 -9.3 86 84 A I E -B 180 0A 4 -2,-1.0 2,-0.3 94,-0.2 94,-0.2 -0.866 10.3-178.4-102.5 104.1 2.6 -39.6 -11.2 87 85 A V E -B 179 0A 1 92,-2.8 92,-4.0 -2,-0.7 2,-0.6 -0.796 16.3-149.8-103.2 139.5 2.4 -39.1 -15.1 88 86 A L E +B 178 0A 4 -2,-0.3 30,-1.7 90,-0.3 2,-0.3 -0.927 22.5 177.5-109.2 114.7 4.3 -41.0 -17.8 89 87 A R E -BC 177 117A 5 88,-2.2 88,-2.5 -2,-0.6 2,-0.5 -0.864 24.8-155.7-117.1 156.2 5.1 -39.2 -21.1 90 88 A F E -BC 176 116A 0 26,-2.1 26,-2.0 -2,-0.3 86,-0.2 -0.998 14.0-149.6-120.1 122.8 6.9 -39.8 -24.3 91 89 A D S S- 0 0 21 84,-3.2 2,-0.2 -2,-0.5 85,-0.1 0.707 81.5 -15.1 -61.6 -24.1 8.1 -36.6 -26.0 92 90 A A - 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