==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JAN-01 1HXJ . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR J.VEVODOVA,X.-D.SU,J.MAREK,B.BRZOBOHATY . 982 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 677 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 51 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.4 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 2 0 6 2 4 2 0 0 2 4 0 2 2 2 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 7 3 4 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 PARALLEL BRIDGES PER LADDER . 6 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 0 2 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 6 A Q 0 0 182 0, 0.0 418,-0.0 0, 0.0 421,-0.0 0.000 360.0 360.0 360.0 115.7 99.4 5.5 -0.9 2 7 A M - 0 0 65 417,-0.1 2,-0.2 1,-0.1 420,-0.0 0.931 360.0-170.9 57.5 95.6 98.4 5.7 -4.6 3 8 A L - 0 0 91 1,-0.2 4,-0.2 419,-0.1 5,-0.1 -0.585 26.2 -3.6-119.2 179.3 97.1 2.2 -5.3 4 9 A S >> - 0 0 40 -2,-0.2 3,-2.3 1,-0.1 4,-0.6 0.629 49.5-136.7 5.5 118.6 95.9 -0.3 -7.9 5 10 A P T 34 S+ 0 0 109 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.738 105.7 65.0 -62.4 -20.3 95.6 1.0 -11.5 6 11 A S T 34 S+ 0 0 96 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.597 99.6 52.9 -77.8 -9.2 92.3 -0.8 -11.7 7 12 A E T <4 S+ 0 0 105 -3,-2.3 -1,-0.2 -4,-0.2 -3,-0.1 0.588 79.4 113.6 -98.1 -15.8 91.0 1.6 -9.1 8 13 A I S < S- 0 0 47 -4,-0.6 418,-0.1 -3,-0.4 -4,-0.0 -0.413 76.7-110.9 -61.5 122.2 92.0 4.8 -11.0 9 14 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.206 30.4-156.3 -56.3 141.1 88.9 6.6 -12.0 10 15 A Q > - 0 0 93 1,-0.1 3,-1.8 -3,-0.1 4,-0.3 -0.901 23.6-124.7-118.2 149.0 88.0 6.7 -15.7 11 16 A R G > S+ 0 0 47 477,-0.4 3,-1.9 -2,-0.3 -1,-0.1 0.849 111.4 61.8 -62.3 -33.0 85.8 9.4 -17.4 12 17 A D G 3 S+ 0 0 131 1,-0.3 -1,-0.3 -3,-0.0 4,-0.1 0.460 83.7 79.6 -74.1 2.9 83.5 6.7 -18.7 13 18 A W G < S+ 0 0 72 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.702 96.2 54.3 -76.5 -20.4 82.8 5.8 -15.1 14 19 A F S < S- 0 0 9 -3,-1.9 418,-0.0 -4,-0.3 0, 0.0 -0.802 100.0 -90.1-115.7 156.7 80.5 8.8 -15.2 15 20 A P > - 0 0 66 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.190 38.5-110.9 -61.3 153.6 77.6 9.7 -17.5 16 21 A S T 3 S+ 0 0 119 1,-0.3 -2,-0.0 -4,-0.1 -4,-0.0 0.818 117.9 54.0 -53.6 -34.7 78.3 11.8 -20.6 17 22 A D T 3 S+ 0 0 112 2,-0.1 -1,-0.3 0, 0.0 425,-0.0 0.517 80.9 118.8 -81.2 -6.4 76.5 14.8 -19.0 18 23 A F < - 0 0 4 -3,-1.9 2,-0.5 1,-0.1 425,-0.2 -0.177 60.0-130.6 -58.0 156.7 78.5 14.8 -15.8 19 24 A T E -a 443 0A 18 423,-1.9 425,-2.4 63,-0.0 2,-0.4 -0.954 23.4-179.2-120.6 128.3 80.5 17.9 -15.2 20 25 A F E +a 444 0A 2 -2,-0.5 63,-3.0 423,-0.2 64,-1.1 -0.988 23.6 133.6-123.8 128.4 84.2 18.2 -14.2 21 26 A G E -ab 445 84A 1 423,-2.5 425,-2.3 -2,-0.4 2,-0.3 -0.835 44.1-109.9-153.6-169.2 85.9 21.5 -13.6 22 27 A A E -ab 446 85A 0 62,-0.9 64,-2.5 423,-0.3 2,-0.3 -0.858 28.9-142.6-129.2 165.3 88.2 23.6 -11.3 23 28 A A E +ab 447 86A 0 423,-1.9 425,-1.7 -2,-0.3 426,-1.2 -0.948 20.8 162.8-137.6 155.5 87.4 26.5 -9.0 24 29 A T - 0 0 0 62,-2.1 2,-0.3 -2,-0.3 -2,-0.0 -0.895 24.7-129.8-152.6 175.9 88.7 29.8 -7.7 25 30 A S > - 0 0 1 -2,-0.3 4,-1.6 62,-0.2 5,-0.3 -0.968 24.8-114.7-136.2 152.6 87.5 33.0 -6.0 26 31 A A H >> S+ 0 0 2 -2,-0.3 4,-2.6 1,-0.2 3,-0.5 0.922 110.1 42.0 -51.9 -61.8 88.0 36.7 -6.8 27 32 A Y H 34 S+ 0 0 14 105,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.845 113.0 56.7 -59.7 -34.1 90.1 38.0 -3.9 28 33 A Q H 34 S+ 0 0 1 1,-0.1 425,-1.8 2,-0.1 -1,-0.2 0.823 125.5 12.1 -68.7 -33.7 92.3 34.9 -4.0 29 34 A I H << S+ 0 0 7 -4,-1.6 37,-2.3 -3,-0.5 35,-1.6 0.711 107.9 75.8-118.0 -25.9 93.4 35.1 -7.7 30 35 A E < + 0 0 6 -4,-2.6 37,-2.0 -5,-0.3 38,-0.4 0.910 55.4 176.9 -58.7 -55.8 92.5 38.5 -9.2 31 36 A G + 0 0 4 29,-0.4 31,-0.3 -5,-0.3 4,-0.1 -0.525 45.7 105.3 78.1-152.9 95.0 41.0 -7.9 32 37 A A > + 0 0 11 29,-0.5 3,-1.5 -2,-0.2 6,-0.2 0.887 49.9 174.7 42.6 44.3 94.6 44.5 -9.4 33 38 A W T 3 S+ 0 0 62 28,-1.3 -1,-0.1 1,-0.3 8,-0.1 0.684 74.7 18.9 -55.8 -25.3 93.1 45.3 -6.0 34 39 A N T 3 S+ 0 0 97 27,-0.2 3,-0.4 6,-0.1 -1,-0.3 -0.011 97.0 125.0-137.1 31.5 92.7 49.0 -6.7 35 40 A E S X S+ 0 0 62 -3,-1.5 3,-1.8 1,-0.2 -4,-0.0 -0.654 72.2 6.5 -95.1 150.2 92.9 49.1 -10.5 36 41 A D T 3 S- 0 0 65 1,-0.3 71,-0.3 -2,-0.3 -1,-0.2 0.824 133.5 -52.8 50.2 40.4 90.3 50.6 -12.9 37 42 A G T 3 S+ 0 0 54 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.519 85.3 164.8 79.4 5.9 88.2 52.0 -10.1 38 43 A K < - 0 0 18 -3,-1.8 55,-0.2 -6,-0.2 -1,-0.2 -0.304 33.5-126.0 -57.9 137.1 87.8 48.9 -8.0 39 44 A G - 0 0 10 53,-2.0 2,-0.2 1,-0.1 58,-0.1 -0.383 26.1 -93.5 -82.9 163.0 86.6 49.6 -4.5 40 45 A E - 0 0 70 56,-0.2 97,-3.0 -2,-0.1 98,-0.6 -0.501 41.6-151.7 -74.8 143.0 88.3 48.5 -1.3 41 46 A S B > -J 136 0B 1 95,-0.3 4,-2.7 -2,-0.2 5,-0.2 -0.687 30.5-103.4-111.8 168.3 87.0 45.2 0.2 42 47 A N H > S+ 0 0 2 93,-2.6 4,-2.5 -2,-0.2 5,-0.1 0.856 124.4 47.8 -55.7 -36.8 86.8 43.9 3.8 43 48 A W H > S+ 0 0 0 2,-0.2 4,-2.8 92,-0.2 5,-0.3 0.873 107.2 52.5 -76.0 -37.1 89.8 41.7 3.0 44 49 A D H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.970 115.7 44.9 -57.7 -49.8 91.9 44.5 1.3 45 50 A H H X S+ 0 0 46 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.908 114.5 47.0 -58.2 -49.2 91.3 46.4 4.5 46 51 A F H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 7,-0.2 0.938 114.2 44.9 -62.0 -51.7 92.0 43.4 6.9 47 52 A C H < S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.838 117.1 46.6 -64.0 -33.9 95.2 42.3 5.2 48 53 A H H < S+ 0 0 65 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.906 121.8 33.7 -75.4 -44.0 96.5 45.9 5.0 49 54 A N H < S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.691 128.7 35.6 -86.4 -20.5 95.7 46.9 8.5 50 55 A H >< + 0 0 29 -4,-2.6 3,-1.9 -5,-0.3 -1,-0.2 -0.435 57.5 152.9-134.3 65.1 96.3 43.6 10.2 51 56 A P G > S+ 0 0 53 0, 0.0 3,-1.3 0, 0.0 6,-0.4 0.734 74.2 66.8 -63.0 -20.8 99.2 41.8 8.6 52 57 A E G 3 S+ 0 0 113 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.595 90.8 62.7 -77.4 -9.0 99.8 40.0 11.9 53 58 A R G < S+ 0 0 78 -3,-1.9 2,-0.5 -7,-0.2 -1,-0.3 0.345 93.7 75.7 -94.0 5.1 96.5 38.2 11.5 54 59 A I S X S- 0 0 4 -3,-1.3 3,-2.6 1,-0.1 403,-0.2 -0.980 87.8-127.4-118.7 125.1 97.9 36.5 8.3 55 60 A L T 3 S+ 0 0 122 401,-3.3 402,-0.1 -2,-0.5 -1,-0.1 0.801 109.2 22.2 -36.9 -51.5 100.4 33.7 8.8 56 61 A D T 3 S- 0 0 46 400,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.151 108.6-114.7-107.0 16.7 103.1 35.2 6.5 57 62 A G S < S+ 0 0 34 -3,-2.6 -2,-0.1 -6,-0.4 -5,-0.1 0.658 71.5 139.3 60.0 17.2 101.8 38.8 6.8 58 63 A S - 0 0 21 -7,-0.1 2,-0.3 398,-0.1 -1,-0.1 -0.108 35.8-161.0 -83.8-177.5 100.9 38.7 3.1 59 64 A N - 0 0 52 -3,-0.1 4,-0.3 4,-0.0 3,-0.3 -0.917 29.6-110.9-152.8 172.7 97.9 40.1 1.2 60 65 A S + 0 0 2 -2,-0.3 -29,-0.4 1,-0.2 4,-0.1 -0.215 65.0 129.9-109.3 44.9 96.3 39.5 -2.2 61 66 A D S S+ 0 0 41 1,-0.1 -28,-1.3 2,-0.1 -29,-0.5 0.861 97.7 11.5 -60.9 -33.9 97.1 42.8 -3.9 62 67 A I S > S+ 0 0 106 -3,-0.3 3,-2.8 -31,-0.3 4,-0.3 0.745 84.4 163.7-111.2 -41.2 98.5 40.7 -6.8 63 68 A G T 3 S- 0 0 1 -4,-0.3 -34,-0.2 1,-0.3 -33,-0.2 -0.381 82.7 -27.6 57.9-118.5 97.3 37.2 -6.0 64 69 A A T 3 S- 0 0 0 -35,-1.6 -1,-0.3 -2,-0.2 -34,-0.2 0.280 83.0-122.3-109.0 6.8 97.6 35.2 -9.3 65 70 A N X> + 0 0 37 -3,-2.8 4,-2.3 -36,-0.2 3,-1.1 0.841 59.5 152.1 54.6 36.4 97.2 38.4 -11.3 66 71 A S H 3> + 0 0 0 -37,-2.3 4,-1.0 1,-0.3 -36,-0.2 0.620 57.6 74.7 -71.6 -13.3 94.2 36.8 -13.1 67 72 A Y H 34 S+ 0 0 18 -37,-2.0 -1,-0.3 -38,-0.3 -36,-0.1 0.857 116.2 22.3 -65.5 -30.4 92.6 40.2 -13.7 68 73 A H H <4 S+ 0 0 94 -3,-1.1 3,-0.3 -38,-0.4 -2,-0.2 0.709 129.2 46.3-104.8 -28.1 95.3 40.4 -16.4 69 74 A M H >X S+ 0 0 37 -4,-2.3 4,-1.5 -39,-0.2 3,-1.4 0.216 70.0 116.3-103.0 16.0 96.1 36.8 -17.0 70 75 A Y H 3X S+ 0 0 34 -4,-1.0 4,-2.3 1,-0.3 5,-0.2 0.763 70.4 64.8 -55.1 -27.4 92.6 35.4 -17.3 71 76 A K H 3> S+ 0 0 104 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.884 103.2 46.6 -64.8 -36.2 93.3 34.4 -20.9 72 77 A T H <> S+ 0 0 36 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.879 108.3 56.3 -71.8 -37.7 96.0 32.0 -19.8 73 78 A D H X S+ 0 0 2 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.934 109.1 46.3 -58.4 -46.7 93.6 30.6 -17.1 74 79 A V H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.901 108.9 56.7 -61.9 -41.5 91.0 29.8 -19.8 75 80 A R H X S+ 0 0 128 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.943 108.6 45.8 -54.2 -53.4 93.8 28.3 -22.0 76 81 A L H X S+ 0 0 17 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.907 111.1 52.0 -58.0 -46.8 94.7 25.8 -19.2 77 82 A L H <>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 4,-0.4 0.907 111.3 49.0 -57.7 -41.7 91.1 24.9 -18.5 78 83 A K H ><5S+ 0 0 105 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.930 109.9 50.4 -63.2 -47.6 90.7 24.3 -22.2 79 84 A E H 3<5S+ 0 0 86 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.863 108.2 52.7 -60.6 -37.1 93.8 22.1 -22.4 80 85 A M T 3<5S- 0 0 0 -4,-2.5 409,-0.4 -5,-0.2 -1,-0.3 0.538 110.8-122.5 -77.4 -5.2 92.6 20.0 -19.4 81 86 A G T < 5 + 0 0 27 -3,-1.4 -3,-0.2 -4,-0.4 -61,-0.1 0.758 46.2 175.7 70.8 23.3 89.3 19.4 -21.1 82 87 A M < - 0 0 9 -5,-2.1 -61,-0.2 -6,-0.2 -1,-0.2 -0.358 28.1-151.9 -62.4 141.4 87.4 20.9 -18.2 83 88 A D S S+ 0 0 55 -63,-3.0 42,-2.9 1,-0.2 2,-0.3 0.686 75.4 8.4 -86.0 -21.8 83.6 21.1 -18.8 84 89 A A E -bc 21 125A 0 -64,-1.1 -62,-0.9 40,-0.3 2,-0.4 -0.976 57.3-143.4-155.1 166.2 83.3 24.1 -16.5 85 90 A Y E -bc 22 126A 4 40,-2.1 42,-2.4 -2,-0.3 2,-0.6 -0.977 12.9-154.0-138.8 120.9 85.0 26.7 -14.4 86 91 A R E +bc 23 127A 0 -64,-2.5 -62,-2.1 -2,-0.4 2,-0.3 -0.861 30.5 149.7 -98.9 121.8 83.8 28.0 -11.1 87 92 A F E - c 0 128A 6 40,-1.6 42,-2.8 -2,-0.6 2,-0.3 -0.881 33.9-123.2-140.5 169.4 84.9 31.6 -10.2 88 93 A S E - c 0 129A 2 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.808 14.9-120.2-120.3 163.4 83.4 34.4 -8.2 89 94 A I - 0 0 0 40,-2.0 2,-0.9 -2,-0.3 43,-0.4 -0.827 24.8-126.0-101.1 136.4 82.6 38.1 -8.9 90 95 A S >> - 0 0 3 -2,-0.4 4,-1.7 1,-0.2 3,-0.5 -0.740 14.5-155.9 -85.1 109.1 84.2 40.8 -6.8 91 96 A W H >> S+ 0 0 0 -2,-0.9 4,-3.1 43,-0.5 3,-0.6 0.928 94.1 44.4 -47.9 -55.2 81.4 42.9 -5.3 92 97 A P H 34 S+ 0 0 0 0, 0.0 -53,-2.0 0, 0.0 -1,-0.3 0.752 106.5 59.5 -65.8 -25.2 83.6 46.0 -5.0 93 98 A R H <4 S+ 0 0 1 -3,-0.5 15,-0.3 -55,-0.2 -2,-0.2 0.853 116.5 35.0 -71.0 -30.4 85.1 45.6 -8.5 94 99 A I H << S+ 0 0 0 -4,-1.7 11,-3.3 -3,-0.6 15,-0.2 0.883 135.2 23.1 -85.7 -46.1 81.6 45.9 -9.9 95 100 A L S >< S- 0 0 0 -4,-3.1 3,-3.0 -5,-0.2 -1,-0.3 -0.844 70.0-166.0-125.5 90.7 80.2 48.4 -7.4 96 101 A P T 3 S+ 0 0 31 0, 0.0 42,-0.3 0, 0.0 -56,-0.2 0.798 94.3 36.1 -45.8 -37.1 83.1 50.4 -5.8 97 102 A K T 3 S- 0 0 127 6,-0.4 4,-0.1 2,-0.3 5,-0.1 0.158 108.1-123.5-105.4 18.3 80.8 51.7 -3.1 98 103 A G S < S+ 0 0 0 -3,-3.0 2,-0.3 -7,-0.2 63,-0.2 0.481 79.9 95.9 56.1 4.1 78.8 48.5 -2.8 99 104 A T S S- 0 0 28 4,-0.1 4,-0.5 1,-0.1 -2,-0.3 -0.839 80.9-121.1-125.1 161.9 75.6 50.5 -3.5 100 105 A K S > S+ 0 0 139 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.913 114.7 50.2 -63.7 -45.7 73.4 51.4 -6.4 101 106 A E T 3 S+ 0 0 197 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.703 100.4 67.4 -67.8 -18.1 73.8 55.1 -6.0 102 107 A G T 3 S- 0 0 28 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.2 0.714 107.8-129.8 -73.5 -20.3 77.6 54.5 -5.9 103 108 A G < - 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