==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-MAY-10 3AIR . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR M.SUE,C.NAKAMURA,T.MIYAMOTO,S.YAJIMA . 491 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 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 . 32 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.6 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 3 1 3 0 0 1 0 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 2 2 0 0 0 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 . 3 1 0 2 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 . 1 1 0 0 0 0 0 0 1 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 12 A G 0 0 117 0, 0.0 2,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 165.2 -52.9 -25.0 -11.4 2 13 A P - 0 0 95 0, 0.0 405,-0.0 0, 0.0 0, 0.0 0.547 360.0-109.8 -85.7 137.8 -53.1 -23.2 -9.2 3 14 A V + 0 0 123 1,-0.1 2,-0.3 -2,-0.0 0, 0.0 0.124 40.3 176.6 -30.3 112.3 -56.0 -25.1 -7.4 4 15 A F - 0 0 28 358,-0.1 2,-0.3 -3,-0.0 -1,-0.1 -0.701 8.0-169.0-124.7 89.3 -59.2 -23.1 -7.6 5 16 A T - 0 0 97 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.520 11.1-146.4 -76.9 129.7 -62.2 -25.0 -6.1 6 17 A K - 0 0 120 -2,-0.3 -1,-0.1 1,-0.1 410,-0.1 -0.537 26.6 -90.0 -92.2 159.0 -65.6 -23.4 -6.7 7 18 A L - 0 0 25 -2,-0.2 -1,-0.1 1,-0.1 5,-0.1 -0.286 46.4-105.0 -55.6 146.6 -68.7 -23.5 -4.4 8 19 A K > - 0 0 116 1,-0.1 3,-2.5 3,-0.0 4,-0.3 -0.518 37.8-108.9 -68.6 148.6 -71.0 -26.4 -4.8 9 20 A P G > S+ 0 0 98 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.809 118.7 55.3 -57.5 -31.4 -74.2 -25.2 -6.6 10 21 A W G 3 S+ 0 0 191 1,-0.2 -2,-0.0 0, 0.0 -3,-0.0 0.494 102.0 60.1 -76.8 -5.3 -76.4 -25.5 -3.5 11 22 A Q G < S+ 0 0 85 -3,-2.5 -1,-0.2 2,-0.1 415,-0.1 0.394 78.1 110.4-100.0 2.8 -73.9 -23.2 -1.7 12 23 A I S < S- 0 0 33 -3,-1.2 411,-0.1 -4,-0.3 407,-0.0 -0.621 75.3-111.7 -81.4 129.0 -74.4 -20.3 -4.1 13 24 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.155 26.2-153.4 -58.5 152.7 -76.3 -17.3 -2.5 14 25 A K > - 0 0 142 1,-0.1 3,-2.0 472,-0.0 4,-0.3 -0.898 27.4-114.9-120.9 155.5 -79.8 -16.4 -3.7 15 26 A R G > S+ 0 0 50 470,-0.4 3,-2.1 -2,-0.3 -1,-0.1 0.888 113.7 62.3 -58.9 -38.6 -81.2 -12.9 -3.4 16 27 A D G 3 S+ 0 0 152 1,-0.3 -1,-0.3 -3,-0.0 4,-0.1 0.456 80.2 81.4 -71.5 -0.1 -83.8 -14.0 -0.9 17 28 A W G < S+ 0 0 78 -3,-2.0 2,-0.3 2,-0.1 -1,-0.3 0.724 96.1 56.1 -64.0 -20.3 -81.1 -15.0 1.6 18 29 A F S < S- 0 0 10 -3,-2.1 411,-0.0 -4,-0.3 0, 0.0 -0.804 98.7-103.2-115.7 151.1 -81.2 -11.3 2.3 19 30 A D > - 0 0 113 -2,-0.3 3,-1.1 1,-0.1 -1,-0.1 -0.089 38.5 -98.8 -72.8 174.5 -84.2 -9.2 3.4 20 31 A K T 3 S+ 0 0 180 1,-0.2 -1,-0.1 -4,-0.1 -2,-0.0 0.795 121.3 51.7 -67.1 -25.6 -86.1 -6.9 1.0 21 32 A D T 3 S+ 0 0 112 2,-0.1 -1,-0.2 419,-0.0 2,-0.0 0.548 81.0 112.0 -87.0 -11.4 -84.3 -3.8 2.2 22 33 A F < - 0 0 7 -3,-1.1 2,-0.5 1,-0.1 418,-0.2 -0.380 62.5-137.1 -64.5 143.4 -80.7 -5.2 1.8 23 34 A L E -a 440 0A 39 416,-1.9 418,-2.4 -2,-0.0 2,-0.4 -0.922 16.8-166.4-118.8 121.0 -78.9 -3.4 -1.1 24 35 A F E +a 441 0A 2 -2,-0.5 63,-2.5 416,-0.2 64,-1.3 -0.843 31.6 135.3 -97.3 136.2 -76.7 -4.9 -3.8 25 36 A G E -ab 442 88A 1 416,-2.4 418,-2.3 -2,-0.4 2,-0.3 -0.811 42.1-118.1-155.9-165.4 -74.6 -2.4 -5.8 26 37 A A E -ab 443 89A 0 62,-1.0 64,-2.5 416,-0.3 2,-0.3 -0.953 21.5-140.4-150.1 158.2 -71.2 -1.7 -7.3 27 38 A S E +ab 444 90A 0 416,-2.3 419,-1.9 -2,-0.3 418,-0.6 -0.900 19.4 166.3-125.4 154.4 -68.6 1.1 -6.7 28 39 A T - 0 0 1 62,-2.1 2,-0.3 -2,-0.3 421,-0.0 -0.854 23.5-132.9-143.7 177.7 -66.2 3.3 -8.7 29 40 A S > - 0 0 0 -2,-0.3 4,-1.2 62,-0.1 5,-0.3 -0.984 22.9-115.8-135.9 159.8 -64.2 6.4 -8.1 30 41 A A H >> S+ 0 0 2 -2,-0.3 4,-2.6 1,-0.2 3,-0.8 0.910 111.4 43.5 -59.7 -52.7 -63.8 9.6 -10.1 31 42 A Y H 34 S+ 0 0 15 103,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.845 112.7 56.1 -63.2 -31.2 -60.1 9.4 -11.0 32 43 A Q H 34 S+ 0 0 2 1,-0.1 418,-2.2 -3,-0.1 -1,-0.2 0.747 126.5 9.2 -76.2 -21.2 -60.4 5.8 -11.8 33 44 A I H << S+ 0 0 6 -4,-1.2 37,-2.6 -3,-0.8 35,-0.7 0.644 108.0 73.8-128.4 -26.8 -63.2 6.0 -14.4 34 45 A E < + 0 0 6 -4,-2.6 37,-2.4 -5,-0.3 38,-0.4 0.863 55.7 177.6 -71.3 -41.3 -64.0 9.6 -15.5 35 46 A G + 0 0 4 -5,-0.4 31,-0.3 29,-0.4 -1,-0.2 -0.441 44.3 109.2 60.2-141.7 -61.2 10.7 -17.8 36 47 A A > + 0 0 6 29,-0.3 3,-1.6 1,-0.1 6,-0.2 0.881 47.1 172.6 41.2 45.5 -61.8 14.2 -19.2 37 48 A W T 3 S+ 0 0 65 28,-1.4 -1,-0.1 1,-0.3 8,-0.1 0.661 74.2 19.2 -63.2 -20.8 -59.0 15.2 -16.8 38 49 A N T 3 S+ 0 0 97 27,-0.2 3,-0.5 6,-0.1 -1,-0.3 0.008 97.7 127.6-135.3 21.2 -58.7 18.8 -18.1 39 50 A E S X S+ 0 0 60 -3,-1.6 3,-2.0 1,-0.2 -4,-0.0 -0.588 70.3 1.0 -90.8 149.2 -62.0 19.2 -19.8 40 51 A D T 3 S- 0 0 88 1,-0.3 69,-0.2 -2,-0.2 -1,-0.2 0.820 133.3 -47.3 48.3 42.2 -64.6 22.0 -19.3 41 52 A G T 3 S+ 0 0 53 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.367 90.3 154.8 89.8 -6.3 -62.5 23.9 -16.8 42 53 A K < - 0 0 17 -3,-2.0 -1,-0.3 -6,-0.2 55,-0.2 -0.310 34.0-140.8 -55.9 136.1 -61.5 21.0 -14.5 43 54 A G - 0 0 8 53,-2.5 2,-0.1 1,-0.1 58,-0.1 -0.520 28.3 -85.6 -95.8 165.5 -58.3 21.6 -12.6 44 55 A P - 0 0 60 0, 0.0 95,-2.5 0, 0.0 96,-0.6 -0.424 37.1-149.0 -74.8 144.6 -55.6 19.1 -12.0 45 56 A S B > -J 138 0B 0 93,-0.3 4,-2.3 94,-0.2 5,-0.2 -0.518 35.3 -99.5 -98.1 172.7 -55.7 16.6 -9.0 46 57 A T H > S+ 0 0 3 91,-2.7 4,-2.2 1,-0.2 5,-0.1 0.761 127.4 53.3 -59.6 -28.4 -52.7 15.2 -7.1 47 58 A W H > S+ 0 0 0 90,-0.2 4,-2.3 2,-0.2 5,-0.3 0.902 106.2 50.6 -77.0 -40.7 -53.2 12.1 -9.2 48 59 A D H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.967 116.7 43.1 -50.0 -53.1 -53.1 14.0 -12.6 49 60 A H H X S+ 0 0 73 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.884 111.9 52.0 -64.4 -46.9 -49.9 15.6 -11.4 50 61 A F H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 7,-0.2 0.939 115.0 41.8 -55.8 -52.0 -48.3 12.5 -10.0 51 62 A C H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.881 117.1 47.5 -63.7 -39.6 -48.9 10.5 -13.2 52 63 A H H < S+ 0 0 74 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.769 121.5 35.7 -77.8 -25.3 -47.8 13.5 -15.5 53 64 A T H < S+ 0 0 59 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.818 131.9 25.4 -97.6 -28.7 -44.7 14.2 -13.5 54 65 A Y >< + 0 0 65 -4,-2.7 3,-2.3 -5,-0.3 -1,-0.2 -0.497 68.5 159.0-129.6 62.1 -43.6 10.7 -12.5 55 66 A P G > + 0 0 49 0, 0.0 3,-1.7 0, 0.0 6,-0.2 0.780 69.7 66.7 -60.0 -27.9 -45.1 8.4 -15.2 56 67 A E G 3 S+ 0 0 111 1,-0.3 5,-0.1 -3,-0.1 -5,-0.1 0.644 83.9 74.3 -68.5 -13.3 -42.7 5.6 -14.5 57 68 A R G < S+ 0 0 77 -3,-2.3 2,-0.5 -7,-0.2 -1,-0.3 0.505 83.6 80.5 -79.5 -5.7 -44.4 5.2 -11.0 58 69 A I S X S- 0 0 2 -3,-1.7 3,-2.2 -4,-0.2 396,-0.2 -0.947 85.8-132.7-102.6 124.5 -47.3 3.6 -12.9 59 70 A S T 3 S+ 0 0 82 394,-3.1 395,-0.1 -2,-0.5 -1,-0.1 0.744 102.6 25.2 -36.1 -54.9 -46.7 -0.1 -13.8 60 71 A D T 3 S- 0 0 59 393,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.066 112.1-110.8-107.2 18.1 -47.7 -0.1 -17.4 61 72 A M S < S+ 0 0 123 -3,-2.2 2,-0.2 -6,-0.2 -2,-0.1 0.831 75.4 127.3 46.2 45.3 -47.1 3.6 -17.9 62 73 A T - 0 0 40 -7,-0.1 2,-0.3 -6,-0.0 -1,-0.2 -0.548 36.0-168.9-111.8-179.8 -50.7 4.6 -18.2 63 74 A N > - 0 0 41 -2,-0.2 4,-0.5 -3,-0.1 3,-0.4 -0.900 38.5 -92.6-156.0-175.4 -52.8 7.3 -16.3 64 75 A G T 4 S+ 0 0 2 -2,-0.3 -29,-0.4 1,-0.2 -27,-0.1 0.052 77.6 119.2 -99.6 25.9 -56.3 8.4 -15.8 65 76 A D T 4 S- 0 0 42 1,-0.1 -28,-1.4 -29,-0.1 -29,-0.3 0.912 104.0 -3.0 -53.0 -46.2 -56.4 11.1 -18.6 66 77 A V T >4 S+ 0 0 81 -3,-0.4 3,-2.7 -31,-0.3 4,-0.2 0.715 84.9 163.2-114.8 -36.1 -59.2 9.1 -20.2 67 78 A A T 3< S- 0 0 2 -4,-0.5 -34,-0.2 1,-0.3 -33,-0.1 -0.332 83.3 -22.7 53.9-125.8 -59.7 6.0 -18.0 68 79 A A T 3 S- 0 0 0 -35,-0.7 -1,-0.3 -36,-0.1 -34,-0.1 0.297 86.9-123.2 -95.3 5.8 -63.2 4.5 -19.0 69 80 A N X> + 0 0 38 -3,-2.7 4,-2.8 1,-0.1 3,-1.2 0.826 54.7 157.9 55.9 36.9 -64.3 7.9 -20.2 70 81 A S H 3> + 0 0 0 -37,-2.6 4,-1.1 1,-0.3 -36,-0.2 0.660 61.6 74.4 -70.6 -14.7 -67.2 8.0 -17.8 71 82 A Y H 34 S+ 0 0 20 -37,-2.4 -1,-0.3 -38,-0.3 -36,-0.1 0.916 116.7 19.4 -56.1 -43.2 -67.3 11.7 -18.1 72 83 A H H <4 S+ 0 0 88 -3,-1.2 3,-0.3 -38,-0.4 -2,-0.2 0.782 132.6 45.7 -93.2 -32.1 -68.8 11.2 -21.6 73 84 A L H >X + 0 0 48 -4,-2.8 3,-2.1 -39,-0.2 4,-0.9 0.174 66.9 120.8-103.4 17.5 -70.0 7.6 -21.2 74 85 A Y H 3X + 0 0 32 -4,-1.1 4,-2.4 1,-0.3 3,-0.4 0.783 69.5 66.4 -55.6 -30.5 -71.8 7.6 -17.8 75 86 A E H 3> S+ 0 0 89 -3,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.834 99.2 52.0 -59.8 -30.9 -75.1 6.6 -19.4 76 87 A E H <> S+ 0 0 89 -3,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.782 107.0 52.5 -73.9 -29.1 -73.4 3.2 -20.3 77 88 A D H X S+ 0 0 1 -4,-0.9 4,-2.0 -3,-0.4 -2,-0.2 0.937 110.9 47.4 -67.5 -47.7 -72.4 2.9 -16.6 78 89 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.914 110.9 51.9 -55.9 -47.4 -76.0 3.4 -15.6 79 90 A K H X S+ 0 0 108 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.895 107.4 51.9 -57.8 -42.9 -77.1 0.9 -18.2 80 91 A A H X S+ 0 0 3 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.904 110.2 49.2 -61.6 -42.2 -74.7 -1.7 -16.9 81 92 A L H X>S+ 0 0 0 -4,-2.0 5,-2.2 2,-0.2 4,-0.7 0.930 114.1 45.7 -59.5 -48.3 -76.1 -1.2 -13.3 82 93 A K H ><5S+ 0 0 113 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.917 109.5 54.0 -61.9 -46.9 -79.6 -1.6 -14.6 83 94 A D H 3<5S+ 0 0 46 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.786 113.0 44.1 -60.1 -32.1 -78.8 -4.7 -16.8 84 95 A M H 3<5S- 0 0 0 -4,-1.5 402,-0.3 -5,-0.2 -1,-0.3 0.537 112.4-122.1 -86.7 -13.5 -77.4 -6.4 -13.6 85 96 A G T <<5 + 0 0 11 -3,-0.9 -3,-0.2 -4,-0.7 -61,-0.2 0.693 49.1 168.9 78.2 20.6 -80.3 -5.2 -11.5 86 97 A M < - 0 0 2 -5,-2.2 -1,-0.2 -6,-0.2 -61,-0.2 -0.380 26.0-160.0 -64.5 142.7 -78.2 -3.4 -9.0 87 98 A K S S+ 0 0 108 -63,-2.5 40,-3.0 1,-0.1 2,-0.3 0.626 71.6 40.5 -97.5 -17.7 -80.1 -1.1 -6.6 88 99 A V E -bc 25 127A 0 -64,-1.3 -62,-1.0 38,-0.2 2,-0.4 -0.978 56.9-165.3-133.3 144.3 -77.2 1.2 -5.5 89 100 A Y E -bc 26 128A 2 38,-2.1 40,-2.6 -2,-0.3 2,-0.6 -0.990 8.3-161.2-126.3 121.6 -74.3 2.8 -7.3 90 101 A R E +bc 27 129A 0 -64,-2.5 -62,-2.1 -2,-0.4 2,-0.3 -0.919 25.4 157.3-100.6 116.7 -71.5 4.2 -5.1 91 102 A F E - c 0 130A 4 38,-1.8 40,-2.7 -2,-0.6 2,-0.3 -0.806 32.2-121.8-129.5 167.7 -69.4 6.8 -7.1 92 103 A S E - c 0 131A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.830 13.9-125.5-115.7 155.1 -67.1 9.7 -6.1 93 104 A I - 0 0 0 38,-2.1 2,-0.8 -2,-0.3 41,-0.2 -0.863 24.9-126.5 -96.8 128.5 -67.2 13.4 -6.8 94 105 A S >> - 0 0 3 -2,-0.5 4,-1.5 1,-0.2 3,-0.8 -0.661 14.5-160.0 -75.6 109.0 -64.0 14.9 -8.2 95 106 A W H 3> S+ 0 0 0 -2,-0.8 4,-3.2 41,-0.3 3,-0.5 0.918 92.5 51.9 -52.7 -48.5 -63.0 17.8 -6.0 96 107 A S H 34 S+ 0 0 0 40,-0.6 -53,-2.5 1,-0.2 -1,-0.2 0.714 107.3 53.3 -67.0 -20.2 -60.8 19.3 -8.8 97 108 A R H <4 S+ 0 0 1 -3,-0.8 13,-0.4 -55,-0.2 -1,-0.2 0.800 116.6 38.6 -77.5 -31.7 -63.7 19.1 -11.3 98 109 A I H < S+ 0 0 0 -4,-1.5 9,-2.8 -3,-0.5 -2,-0.2 0.859 134.4 19.9 -85.3 -43.4 -66.0 21.0 -8.8 99 110 A L >< - 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