==== 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 3LPF . 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) . 45842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 749 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 223 18.5 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 . 8 0.7 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 . 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 . 116 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 0 0 0 1 2 1 0 0 2 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 2 6 6 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 . 12 1 4 8 5 6 2 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 5 4 0 2 0 0 0 0 1 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 0 133 0, 0.0 2,-0.4 0, 0.0 398,-0.0 0.000 360.0 360.0 360.0-150.1 -41.6 7.7 27.7 2 0 A H - 0 0 70 186,-0.0 2,-0.4 2,-0.0 186,-0.1 -0.822 360.0-163.7 -96.9 139.7 -39.6 10.4 29.4 3 1 A X + 0 0 24 -2,-0.4 2,-0.4 396,-0.2 186,-0.3 -0.980 14.9 168.2-132.4 117.6 -35.8 10.2 29.0 4 2 A L - 0 0 19 -2,-0.4 396,-0.1 184,-0.1 -2,-0.0 -0.967 40.5-111.9-119.4 147.7 -33.3 12.1 31.2 5 3 A R - 0 0 61 -2,-0.4 -2,-0.0 395,-0.1 2,-0.0 -0.662 37.4-112.5 -80.5 123.0 -29.6 11.3 31.0 6 4 A P + 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.299 43.2 168.4 -60.5 130.0 -28.3 9.7 34.2 7 5 A V - 0 0 60 5,-0.0 4,-0.1 -2,-0.0 0, 0.0 -0.875 40.6-103.8-135.2 172.8 -25.8 11.8 36.4 8 6 A E S S+ 0 0 33 -2,-0.3 259,-0.1 1,-0.2 5,-0.0 0.263 72.5 110.5 -95.1 14.0 -24.5 11.2 39.9 9 7 A T S S- 0 0 37 1,-0.2 -1,-0.2 257,-0.2 258,-0.1 0.822 108.0 -26.1 -59.8 -63.7 -26.3 13.6 42.4 10 8 A P S S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.308 137.3 87.5-108.1 -29.3 -28.7 11.9 45.0 11 9 A T - 0 0 9 255,-0.4 2,-0.3 -4,-0.1 170,-0.2 -0.233 67.3-167.9 -62.1 148.0 -28.6 9.6 42.0 12 10 A R E -A 180 0A 11 168,-0.8 168,-1.8 -3,-0.1 2,-0.3 -0.972 7.5-159.3-150.6 133.7 -26.0 6.9 41.5 13 11 A E E -A 179 0A 36 -2,-0.3 2,-0.5 166,-0.3 166,-0.2 -0.814 10.9-159.8-102.3 147.3 -24.8 4.6 38.6 14 12 A I E -A 178 0A 14 164,-2.8 164,-1.8 -2,-0.3 604,-0.1 -0.999 25.8-144.1-116.6 124.3 -23.0 1.3 38.6 15 13 A K + 0 0 43 -2,-0.5 161,-0.2 162,-0.2 -1,-0.2 0.955 25.9 174.7 -65.3 -55.5 -21.6 1.2 35.1 16 14 A K + 0 0 0 1,-0.2 -1,-0.1 161,-0.1 161,-0.1 0.533 52.1 111.5 62.1 -2.8 -21.8 -2.5 34.1 17 15 A L + 0 0 24 159,-0.1 -1,-0.2 158,-0.1 2,-0.1 0.256 38.8 132.6 -80.8 4.9 -20.6 -1.3 30.7 18 16 A D - 0 0 66 1,-0.2 158,-0.1 158,-0.1 0, 0.0 -0.546 60.0-145.8 -43.7 126.6 -17.9 -3.3 32.3 19 17 A G + 0 0 1 -2,-0.1 30,-1.7 29,-0.1 2,-1.0 0.442 62.4 107.5-105.4 -1.3 -17.8 -5.0 28.9 20 18 A L E +D 48 0B 79 28,-0.2 2,-0.3 26,-0.1 28,-0.2 -0.704 46.1 154.8 -80.4 107.1 -16.9 -8.6 29.2 21 19 A W E -D 47 0B 7 26,-2.2 26,-2.3 -2,-1.0 2,-0.2 -0.819 45.3-103.0-121.7 166.1 -20.2 -10.4 28.5 22 20 A A E -DE 46 72B 24 50,-3.6 50,-2.3 -2,-0.3 2,-0.3 -0.618 44.0-172.1 -87.7 152.9 -21.1 -13.9 27.2 23 21 A F E +DE 45 71B 5 22,-1.1 22,-2.3 -2,-0.2 2,-0.3 -0.996 17.0 158.1-153.5 139.9 -22.3 -14.2 23.6 24 22 A S E - E 0 70B 14 46,-1.5 46,-2.3 -2,-0.3 20,-0.1 -0.989 30.8-120.2-159.4 159.3 -23.7 -16.5 20.9 25 23 A L E - E 0 69B 30 -2,-0.3 2,-0.4 44,-0.2 44,-0.2 -0.263 15.6-146.5 -82.2 177.7 -25.5 -16.6 17.7 26 24 A D E + E 0 68B 7 42,-0.8 42,-0.6 -2,-0.1 -2,-0.0 -0.919 27.3 165.4-149.6 115.9 -28.8 -18.4 17.2 27 25 A R S S+ 0 0 143 -2,-0.4 -1,-0.1 40,-0.1 39,-0.0 0.661 77.5 42.9-114.1 -33.2 -28.7 -19.8 13.7 28 26 A E S S- 0 0 173 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.481 109.8-120.5 -97.5 0.9 -31.6 -22.2 14.0 29 27 A N + 0 0 78 39,-0.1 4,-0.2 1,-0.1 3,-0.2 0.881 68.0 135.6 66.0 43.8 -33.7 -19.6 15.8 30 28 A C > + 0 0 32 1,-0.1 4,-2.9 2,-0.1 3,-0.2 0.509 36.4 100.9 -89.1 -14.4 -34.3 -21.6 19.0 31 29 A G T 4>S+ 0 0 0 1,-0.3 5,-2.1 2,-0.2 6,-0.2 0.760 86.8 34.0 -57.1 -41.8 -33.6 -18.8 21.5 32 30 A I T >45S+ 0 0 76 3,-0.2 3,-0.6 -3,-0.2 -1,-0.3 0.750 116.7 56.9 -86.2 -29.3 -37.1 -17.7 22.5 33 31 A D T 345S+ 0 0 123 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.1 0.977 112.0 41.0 -59.1 -56.7 -38.5 -21.3 22.2 34 32 A Q T 3<5S- 0 0 93 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.213 107.3-124.8 -84.9 13.8 -35.9 -22.6 24.7 35 33 A R T X 5 - 0 0 119 -3,-0.6 3,-2.0 -5,-0.2 4,-0.4 0.897 34.9-177.4 48.2 57.4 -36.2 -19.6 27.1 36 34 A W G > S+ 0 0 0 117,-3.2 3,-0.8 -2,-0.3 4,-0.3 0.762 83.9 78.7 -84.2 -24.8 -20.5 -7.4 17.5 54 52 A N T 3 S+ 0 0 3 116,-0.6 5,-0.4 1,-0.2 3,-0.3 0.789 98.7 33.7 -58.6 -36.8 -19.6 -8.0 13.8 55 53 A D T > S+ 0 0 22 248,-0.3 3,-0.8 1,-0.2 -1,-0.2 0.536 89.4 87.5-102.9 -5.1 -15.9 -7.2 13.9 56 54 A Q T < S+ 0 0 0 -3,-0.8 866,-0.3 -4,-0.2 -1,-0.2 0.664 95.9 41.4 -70.9 -12.7 -14.5 -8.4 17.2 57 55 A F T 3 S- 0 0 8 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.339 94.6-127.3-119.5 6.0 -13.9 -12.0 16.0 58 56 A A < + 0 0 60 -3,-0.8 2,-0.5 1,-0.2 -3,-0.1 0.791 65.5 133.8 53.6 31.8 -12.4 -11.7 12.5 59 57 A D >> - 0 0 62 -5,-0.4 4,-2.5 1,-0.1 3,-0.8 -0.942 49.1-157.4-120.7 111.7 -15.1 -14.1 11.3 60 58 A A H 3> S+ 0 0 59 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.763 94.0 57.8 -50.6 -31.0 -16.9 -13.4 8.0 61 59 A D H 34 S+ 0 0 103 2,-0.2 -1,-0.2 1,-0.2 -7,-0.0 0.836 110.7 39.9 -80.8 -32.6 -19.8 -15.6 9.1 62 60 A I H X4 S+ 0 0 15 -3,-0.8 3,-1.1 2,-0.2 -2,-0.2 0.832 113.9 56.5 -74.1 -39.3 -20.5 -13.7 12.3 63 61 A R H 3< S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.882 114.7 37.1 -60.5 -38.9 -19.9 -10.4 10.5 64 62 A N T 3< S+ 0 0 83 -4,-1.9 96,-0.3 -5,-0.2 -1,-0.2 0.188 88.0 133.0-103.6 15.9 -22.5 -11.1 7.9 65 63 A Y < - 0 0 18 -3,-1.1 2,-0.4 94,-0.1 -3,-0.1 -0.337 35.9-166.1 -68.6 144.1 -25.0 -12.9 10.2 66 64 A A + 0 0 14 92,-0.2 2,-0.4 2,-0.1 92,-0.2 -1.000 51.8 44.0-131.7 134.2 -28.6 -11.9 10.1 67 65 A G S S- 0 0 4 -2,-0.4 71,-1.4 -42,-0.0 2,-0.3 -0.998 93.1 -17.4 136.7-147.1 -31.0 -13.0 12.8 68 66 A N E -EF 26 137B 18 -42,-0.6 -42,-0.8 -2,-0.4 2,-0.3 -0.813 45.9-179.7-111.4 143.5 -30.8 -13.1 16.6 69 67 A V E -EF 25 136B 3 67,-2.2 67,-2.9 -2,-0.3 2,-0.4 -0.940 16.2-138.1-134.9 160.0 -27.9 -12.9 19.0 70 68 A W E -EF 24 135B 0 -46,-2.3 -46,-1.5 -2,-0.3 2,-0.5 -0.959 9.1-166.6-128.5 134.6 -27.6 -13.1 22.8 71 69 A Y E -EF 23 134B 1 63,-2.4 63,-2.7 -2,-0.4 2,-0.4 -0.967 16.2-176.9-113.6 131.0 -25.6 -11.2 25.4 72 70 A Q E +EF 22 133B 10 -50,-2.3 -50,-3.6 -2,-0.5 2,-0.3 -0.984 9.0 156.8-136.2 147.8 -25.5 -12.5 28.9 73 71 A R E - F 0 132B 44 59,-1.5 59,-2.0 -2,-0.4 2,-0.3 -0.960 29.9-133.4-167.6 134.5 -24.0 -11.3 32.1 74 72 A E E - F 0 131B 131 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.753 29.4-177.6 -91.9 143.3 -24.2 -11.5 35.9 75 73 A V E - F 0 130B 4 55,-2.6 55,-2.7 -2,-0.3 2,-0.5 -0.914 24.6-122.9-138.0 168.3 -24.2 -8.5 38.1 76 74 A F E - F 0 129B 34 -2,-0.3 53,-0.2 53,-0.2 50,-0.1 -0.936 17.8-142.3-110.3 121.8 -24.2 -7.3 41.8 77 75 A I - 0 0 0 51,-2.5 50,-0.7 -2,-0.5 2,-0.0 -0.677 36.9-108.1 -76.7 132.6 -26.8 -4.9 43.0 78 76 A P > - 0 0 4 0, 0.0 3,-1.2 0, 0.0 50,-0.1 -0.397 17.4-135.2 -62.4 139.0 -25.1 -2.6 45.5 79 77 A K T 3 S+ 0 0 101 1,-0.2 47,-0.1 47,-0.2 606,-0.0 0.905 101.6 67.7 -61.5 -38.1 -26.1 -3.4 49.0 80 78 A G T 3 S+ 0 0 26 1,-0.2 2,-2.2 2,-0.1 3,-0.3 0.701 75.3 88.3 -52.9 -24.6 -26.5 0.3 49.6 81 79 A W < + 0 0 5 -3,-1.2 45,-0.2 1,-0.2 -1,-0.2 -0.475 55.5 143.5 -82.4 75.2 -29.5 0.6 47.3 82 80 A A S S+ 0 0 90 -2,-2.2 -1,-0.2 1,-0.2 44,-0.1 0.931 70.7 16.1 -86.0 -53.9 -32.0 -0.2 50.0 83 81 A G S S+ 0 0 54 -3,-0.3 -1,-0.2 2,-0.1 100,-0.1 0.221 105.7 147.1-102.4 14.4 -35.3 1.7 49.6 84 82 A Q - 0 0 38 1,-0.1 2,-0.7 -4,-0.1 42,-0.1 -0.214 59.9-134.0 -85.2 139.2 -34.2 2.4 46.1 85 83 A R E -B 181 0A 19 96,-1.6 96,-1.6 -2,-0.1 2,-0.5 -0.729 35.8-163.5 -62.6 108.9 -35.7 3.0 42.6 86 84 A I E -B 180 0A 4 -2,-0.7 34,-2.7 94,-0.2 35,-0.7 -0.923 6.3-169.7-112.2 121.4 -33.4 0.8 40.6 87 85 A V E -BC 179 119A 0 92,-3.0 92,-2.3 -2,-0.5 2,-0.6 -0.888 15.2-150.9-115.8 136.4 -33.4 1.4 36.8 88 86 A L E -BC 178 118A 3 30,-2.5 30,-2.0 -2,-0.4 2,-0.4 -0.943 26.2-174.8-105.4 121.7 -31.7 -0.7 34.2 89 87 A R E -BC 177 117A 2 88,-3.7 88,-2.4 -2,-0.6 2,-0.5 -0.964 20.5-164.7-126.8 138.1 -30.8 1.4 31.2 90 88 A F E -BC 176 116A 0 26,-2.5 26,-1.9 -2,-0.4 86,-0.2 -0.977 11.6-155.6-115.6 121.6 -29.4 0.8 27.8 91 89 A D S S- 0 0 0 84,-2.7 2,-0.3 -2,-0.5 85,-0.1 0.783 79.4 -20.0 -65.8 -29.3 -28.0 3.7 25.9 92 90 A A - 0 0 0 83,-0.4 82,-0.8 82,-0.2 2,-0.4 -0.888 49.1-166.6-169.5 147.6 -28.6 1.9 22.6 93 91 A V - 0 0 0 21,-0.4 2,-0.5 18,-0.3 18,-0.2 -0.946 43.5-110.6-136.6 119.2 -29.1 -1.7 21.3 94 92 A T B S-I 171 0C 0 77,-2.8 77,-0.7 -2,-0.4 2,-0.3 -0.539 80.6 -25.2 -82.7 124.7 -28.7 -1.8 17.6 95 93 A H S S- 0 0 1 -2,-0.5 -2,-0.3 75,-0.1 16,-0.2 -0.654 127.3 -4.6 49.7-129.8 -31.9 -2.4 15.9 96 94 A Y E -G 137 0B 38 41,-1.1 41,-3.1 -2,-0.3 2,-0.4 -0.522 62.0-175.2 -88.1 144.7 -34.1 -4.3 18.4 97 95 A G E -GH 136 109B 0 12,-2.0 12,-1.8 39,-0.2 2,-0.4 -0.999 9.3-165.4-134.3 137.9 -33.4 -5.6 21.9 98 96 A K E -GH 135 108B 35 37,-2.8 37,-2.7 -2,-0.4 2,-0.4 -0.979 17.4-154.5-119.6 137.9 -35.3 -7.6 24.4 99 97 A V E -GH 134 107B 0 8,-1.8 7,-2.5 -2,-0.4 8,-1.2 -0.927 12.5-173.6-124.4 130.6 -34.2 -7.8 28.0 100 98 A W E -GH 133 105B 9 33,-2.6 33,-1.6 -2,-0.4 2,-0.7 -0.957 13.3-159.0-115.8 138.1 -34.6 -10.3 30.9 101 99 A V E S-G 132 0B 5 3,-2.7 31,-0.2 -2,-0.4 -2,-0.0 -0.947 82.6 -40.6-105.0 103.2 -33.6 -10.0 34.5 102 100 A N S S- 0 0 51 29,-2.9 -64,-0.1 -2,-0.7 -1,-0.1 0.871 126.7 -32.3 49.8 57.3 -33.4 -13.6 35.7 103 101 A N S S+ 0 0 85 -66,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.848 117.2 108.9 68.7 33.1 -36.6 -14.9 33.9 104 102 A Q - 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