==== 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 29-OCT-01 1K9F . COMPND 2 MOLECULE: ALPHA-D-GLUCURONIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR G.GOLAN,D.SHALLOM,A.TEPLITSKY,G.ZAIDE,S.SHULAMI,T.BAASOV,V.S . 671 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 47 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 3 1 0 0 2 1 0 0 3 2 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 3 5 2 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 PARALLEL BRIDGES PER LADDER . 4 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 4 A G 0 0 110 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.6 51.4 32.8 140.8 2 5 A Y - 0 0 68 442,-0.1 442,-0.2 443,-0.0 440,-0.0 -0.974 360.0 -92.6-147.7 160.0 48.0 31.8 139.5 3 6 A E - 0 0 30 440,-2.8 3,-0.1 -2,-0.3 5,-0.0 -0.316 20.9-133.6 -74.3 154.3 46.4 29.8 136.7 4 7 A P > - 0 0 72 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.430 37.7-160.0 -84.5 0.3 45.2 31.4 133.3 5 8 A C T 3 - 0 0 4 1,-0.3 3,-0.2 2,-0.1 440,-0.0 -0.334 66.8 -11.7 55.3-123.4 42.0 29.5 133.7 6 9 A W T 3 S+ 0 0 2 1,-0.2 2,-0.7 -3,-0.1 3,-0.3 0.519 123.5 78.6 -86.4 -4.2 40.2 29.2 130.3 7 10 A L < + 0 0 8 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.1 -0.425 53.5 134.0 -98.8 57.7 42.5 31.7 128.6 8 11 A R - 0 0 47 -2,-0.7 -1,-0.2 471,-0.4 3,-0.1 0.863 43.1-161.4 -73.6 -38.1 45.4 29.3 128.2 9 12 A Y - 0 0 2 -3,-0.3 3,-0.1 1,-0.1 -2,-0.1 0.934 20.8-157.7 51.7 49.5 46.1 30.1 124.5 10 13 A E - 0 0 114 469,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.305 24.0 -96.1 -59.9 138.3 48.0 26.8 124.3 11 14 A R - 0 0 115 -3,-0.1 35,-0.2 1,-0.1 36,-0.2 -0.340 41.9-134.4 -59.3 129.5 50.5 26.6 121.5 12 15 A K - 0 0 41 34,-2.7 -1,-0.1 1,-0.1 5,-0.1 -0.423 18.8-107.8 -82.8 159.1 49.1 24.9 118.4 13 16 A D > - 0 0 90 -2,-0.1 3,-1.5 1,-0.1 -1,-0.1 -0.240 43.6 -90.9 -76.8 176.6 50.8 22.2 116.4 14 17 A Q T 3 S+ 0 0 133 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.604 123.9 56.4 -65.8 -11.2 52.2 23.0 112.9 15 18 A Y T 3 S+ 0 0 211 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.340 101.1 55.3-104.2 7.3 49.0 22.0 111.2 16 19 A S S < S+ 0 0 60 -3,-1.5 2,-0.2 2,-0.1 -1,-0.2 -0.106 81.5 116.2-131.3 37.3 46.6 24.4 113.1 17 20 A R - 0 0 69 -3,-0.3 2,-0.3 -5,-0.1 30,-0.1 -0.618 50.3-136.0-109.5 168.3 48.1 27.8 112.6 18 21 A L - 0 0 42 -2,-0.2 2,-0.7 25,-0.1 -2,-0.1 -0.894 11.4-134.5-120.8 150.0 47.1 31.0 110.9 19 22 A R + 0 0 187 -2,-0.3 2,-0.4 44,-0.0 80,-0.2 -0.905 38.5 150.9-109.3 109.1 49.0 33.4 108.6 20 23 A F - 0 0 10 -2,-0.7 43,-0.2 1,-0.1 30,-0.1 -0.999 23.0-178.6-137.0 133.6 48.5 37.1 109.6 21 24 A E + 0 0 69 41,-2.4 31,-2.4 -2,-0.4 2,-0.3 0.709 68.9 27.4-102.4 -26.5 51.0 40.0 109.0 22 25 A E E -ab 52 63A 29 40,-1.8 42,-1.6 29,-0.3 2,-0.5 -0.975 52.3-149.2-142.8 154.5 49.1 42.8 110.5 23 26 A I E -ab 53 64A 0 29,-2.6 31,-2.9 -2,-0.3 2,-0.9 -0.986 22.9-150.2-116.4 117.5 46.5 43.9 113.1 24 27 A V E -ab 54 65A 0 40,-2.9 42,-3.4 -2,-0.5 2,-0.8 -0.799 13.9-174.5 -95.7 101.2 44.6 46.9 111.9 25 28 A A E - b 0 66A 8 29,-2.8 42,-0.2 -2,-0.9 40,-0.1 -0.844 6.5-172.2 -97.3 105.5 43.5 48.9 115.0 26 29 A K + 0 0 50 40,-2.5 2,-0.3 -2,-0.8 -1,-0.1 0.616 67.4 46.2 -73.3 -12.9 41.3 51.8 113.8 27 30 A R - 0 0 79 39,-0.2 39,-0.0 2,-0.1 44,-0.0 -0.883 58.5-154.8-130.3 162.0 41.1 53.4 117.2 28 31 A T + 0 0 116 -2,-0.3 5,-0.1 4,-0.1 -1,-0.0 0.141 46.9 133.9-121.1 18.8 43.4 54.3 120.1 29 32 A S S > S- 0 0 22 1,-0.1 4,-2.2 3,-0.0 5,-0.2 -0.201 71.8-103.6 -67.2 161.3 41.1 54.3 123.1 30 33 A P H > S+ 0 0 90 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.865 124.3 50.7 -53.4 -39.0 42.1 52.6 126.4 31 34 A I H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.935 108.4 51.1 -66.5 -44.3 39.7 49.7 125.5 32 35 A F H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.868 106.7 55.4 -60.8 -34.9 41.2 49.3 122.1 33 36 A Q H X S+ 0 0 62 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.915 110.6 44.1 -63.2 -42.6 44.7 49.2 123.7 34 37 A A H X S+ 0 0 6 -4,-1.7 4,-2.0 190,-0.2 -2,-0.2 0.868 112.4 53.7 -68.9 -37.6 43.6 46.3 125.9 35 38 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.945 111.0 44.7 -61.7 -50.7 41.9 44.6 122.9 36 39 A V H X S+ 0 0 13 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.928 112.0 51.9 -60.9 -47.1 45.0 44.8 120.7 37 40 A E H X S+ 0 0 86 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.876 110.3 49.8 -57.8 -38.2 47.3 43.6 123.6 38 41 A E H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.891 110.9 48.4 -68.9 -40.1 44.9 40.6 124.1 39 42 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.913 112.5 48.9 -66.3 -41.5 44.9 39.7 120.4 40 43 A Q H X S+ 0 0 61 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.910 111.8 49.8 -62.7 -42.6 48.7 39.9 120.4 41 44 A K H X S+ 0 0 88 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.933 113.7 44.9 -61.8 -48.2 48.9 37.8 123.5 42 45 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.924 115.6 45.1 -64.1 -46.3 46.6 35.1 122.0 43 46 A L H X>S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 6,-1.2 0.872 114.3 49.3 -66.8 -37.5 48.2 35.0 118.6 44 47 A R H X5S+ 0 0 100 -4,-2.3 4,-1.0 -5,-0.3 -2,-0.2 0.949 117.1 40.4 -66.3 -49.0 51.8 34.9 120.0 45 48 A S H <5S+ 0 0 45 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.920 128.4 29.4 -67.2 -46.6 51.0 32.1 122.5 46 49 A M H <5S+ 0 0 1 -4,-2.8 -34,-2.7 -5,-0.2 -3,-0.2 0.911 135.7 22.9 -81.7 -45.3 48.8 30.0 120.2 47 50 A M H <5S- 0 0 3 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.1 0.538 89.7-130.4-100.8 -11.8 50.2 30.7 116.7 48 51 A E << + 0 0 113 -4,-1.0 2,-0.3 -5,-0.8 -4,-0.2 0.878 66.5 126.6 61.1 36.8 53.7 31.9 117.4 49 52 A I - 0 0 35 -6,-1.2 -1,-0.2 -9,-0.1 -2,-0.2 -0.931 47.7-161.3-124.7 151.2 53.2 35.0 115.2 50 53 A E - 0 0 144 -2,-0.3 -10,-0.1 -30,-0.1 -9,-0.0 -0.642 15.0-166.5-132.5 75.9 53.6 38.7 116.0 51 54 A P - 0 0 8 0, 0.0 -29,-0.3 0, 0.0 2,-0.2 -0.279 29.0-108.3 -60.4 146.1 51.7 40.7 113.4 52 55 A Q E -a 22 0A 137 -31,-2.4 -29,-2.6 1,-0.1 2,-0.6 -0.572 27.6-124.6 -79.2 140.6 52.5 44.4 113.4 53 56 A V E +a 23 0A 58 -2,-0.2 2,-0.2 -31,-0.2 -29,-0.2 -0.778 41.7 165.1 -88.3 121.5 49.8 46.8 114.8 54 57 A V E -a 24 0A 29 -31,-2.9 -29,-2.8 -2,-0.6 3,-0.1 -0.773 40.3-136.9-129.3 174.0 48.9 49.4 112.3 55 58 A Q S S+ 0 0 131 -2,-0.2 2,-0.4 -31,-0.2 -31,-0.1 0.419 85.8 48.0-114.0 -1.5 46.0 51.9 111.8 56 59 A E S S- 0 0 125 9,-0.0 -1,-0.2 0, 0.0 -31,-0.1 -0.999 89.4-102.7-141.4 139.9 45.3 51.5 108.1 57 60 A V - 0 0 44 -2,-0.4 2,-0.7 -33,-0.1 -2,-0.0 -0.320 22.3-138.8 -64.9 139.4 44.8 48.4 106.0 58 61 A N > - 0 0 56 1,-0.1 3,-2.2 3,-0.1 -1,-0.1 -0.906 13.6-143.4 -99.1 111.3 47.6 47.1 103.8 59 62 A E T 3 S+ 0 0 137 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.695 96.9 39.2 -48.2 -26.5 45.9 46.0 100.6 60 63 A T T 3 S+ 0 0 116 37,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.306 97.4 94.0-111.8 10.2 48.3 43.1 100.2 61 64 A A S < S- 0 0 6 -3,-2.2 2,-0.5 37,-0.1 -3,-0.1 -0.769 77.0-117.2-106.4 148.3 48.7 41.8 103.8 62 65 A N + 0 0 24 -2,-0.3 -41,-2.4 36,-0.1 -40,-1.8 -0.708 54.8 173.9 -77.1 125.6 46.8 39.1 105.6 63 66 A S E -bc 22 100A 3 36,-2.1 38,-2.2 -2,-0.5 2,-0.5 -0.918 44.2-139.1-140.5 164.1 45.1 41.1 108.4 64 67 A I E -bc 23 101A 0 -42,-1.6 -40,-2.9 -2,-0.3 2,-0.5 -0.994 31.2-151.4-118.9 117.7 42.7 41.2 111.3 65 68 A W E -bc 24 102A 22 36,-3.5 38,-3.1 -2,-0.5 2,-0.5 -0.823 10.9-169.6 -97.9 127.7 40.7 44.5 111.2 66 69 A L E +bc 25 103A 0 -42,-3.4 -40,-2.5 -2,-0.5 2,-0.3 -0.971 31.5 104.7-119.6 122.8 39.4 46.0 114.4 67 70 A G E - c 0 104A 0 36,-1.9 38,-2.1 -2,-0.5 2,-0.2 -0.991 55.4 -99.5-176.9 176.4 36.9 48.9 114.4 68 71 A T E >> - c 0 105A 10 -2,-0.3 3,-1.0 36,-0.2 4,-0.7 -0.506 51.2 -88.0-105.3 177.3 33.4 50.2 114.8 69 72 A L G >4 S+ 0 0 25 36,-0.9 3,-0.9 1,-0.3 37,-0.1 0.852 126.4 54.2 -54.7 -38.8 30.8 51.1 112.2 70 73 A E G 34 S+ 0 0 155 1,-0.2 -1,-0.3 36,-0.2 36,-0.0 0.770 103.1 57.3 -69.4 -24.0 32.1 54.6 111.8 71 74 A D G <4 S+ 0 0 31 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.635 86.0 108.9 -80.4 -13.4 35.6 53.3 111.0 72 75 A E << - 0 0 29 -3,-0.9 2,-0.1 -4,-0.7 -3,-0.0 -0.313 63.5-146.5 -67.4 145.6 34.2 51.2 108.2 73 76 A E S S- 0 0 109 -2,-0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.330 92.0 -9.4-106.0 47.4 35.0 52.1 104.6 74 77 A F S S- 0 0 95 -2,-0.1 -2,-0.1 2,-0.1 0, 0.0 -0.344 85.6-133.1 164.5 -68.3 31.7 50.9 103.2 75 78 A E - 0 0 107 -4,-0.0 -6,-0.0 4,-0.0 -5,-0.0 0.798 16.9-133.1 84.8 104.9 29.7 49.0 105.8 76 79 A R > - 0 0 31 1,-0.1 4,-0.9 4,-0.0 -2,-0.1 -0.326 25.4-102.9 -80.9 166.1 28.1 45.6 104.8 77 80 A P H > S+ 0 0 113 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.888 112.5 59.7 -55.0 -48.3 24.5 44.6 105.5 78 81 A L H >4 S+ 0 0 48 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.945 109.1 40.0 -49.1 -63.4 25.2 42.2 108.4 79 82 A E H >4 S+ 0 0 1 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.717 105.3 71.9 -61.5 -18.8 26.9 44.8 110.7 80 83 A G H 3< S+ 0 0 38 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.736 90.8 57.3 -68.7 -21.9 24.2 47.2 109.6 81 84 A T T << S+ 0 0 89 -3,-2.0 -1,-0.2 -4,-0.7 2,-0.2 0.528 79.1 116.3 -85.7 -7.2 21.6 45.2 111.6 82 85 A L < + 0 0 5 -3,-1.2 54,-0.0 -4,-0.3 7,-0.0 -0.449 25.1 155.3 -65.1 129.2 23.6 45.7 114.8 83 86 A V + 0 0 112 -2,-0.2 -1,-0.2 1,-0.0 53,-0.0 0.580 44.9 89.3-125.6 -28.7 21.6 47.8 117.3 84 87 A H S > S- 0 0 41 1,-0.1 3,-1.8 4,-0.0 22,-0.3 -0.576 73.5-135.3 -77.9 133.4 23.1 46.8 120.7 85 88 A P T 3 S+ 0 0 73 0, 0.0 22,-0.6 0, 0.0 25,-0.6 0.807 106.2 45.1 -55.5 -34.0 26.0 48.9 121.8 86 89 A E T 3 S+ 0 0 23 20,-0.2 27,-0.1 23,-0.1 2,-0.1 0.344 93.5 110.2 -94.6 5.9 28.0 45.8 122.9 87 90 A G < + 0 0 0 -3,-1.8 19,-2.5 49,-0.1 20,-0.5 -0.326 42.6 177.8 -79.8 163.5 27.2 43.8 119.8 88 91 A Y E -DE 105 135A 3 47,-2.3 47,-2.6 17,-0.3 2,-0.4 -0.975 22.1-137.6-157.7 167.9 29.6 42.9 117.0 89 92 A V E -DE 104 134A 0 15,-2.3 15,-2.7 -2,-0.3 2,-0.4 -0.974 10.2-164.1-131.7 143.1 30.1 41.1 113.7 90 93 A I E +DE 103 133A 0 43,-2.4 43,-3.6 -2,-0.4 2,-0.3 -0.995 21.2 161.5-128.7 123.6 32.9 38.9 112.7 91 94 A R E -DE 102 132A 51 11,-1.9 11,-2.7 -2,-0.4 2,-0.3 -0.996 34.4-131.1-148.2 141.5 33.4 38.0 109.0 92 95 A S E -D 101 0A 5 39,-2.1 9,-0.2 -2,-0.3 2,-0.2 -0.695 41.9-101.8 -86.7 139.0 36.1 36.8 106.7 93 96 A D - 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