==== 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 10-MAR-06 2DGA . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR M.SUE,K.YAMAZAKI,T.MIYAMOTO,S.YAJIMA . 491 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 11.2 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 . 36 7.3 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 . 149 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.9 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 0 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 3 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 0 102 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 80.9 -53.3 -24.6 -11.0 2 13 A P - 0 0 70 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.401 360.0-120.6 -70.2 134.9 -53.5 -22.6 -9.0 3 14 A V - 0 0 118 -2,-0.1 2,-0.4 1,-0.1 0, 0.0 -0.202 36.5-179.2 -47.2 120.2 -56.1 -25.0 -7.6 4 15 A F - 0 0 21 358,-0.1 2,-0.2 360,-0.0 -1,-0.1 -0.757 7.4-165.2-131.5 88.1 -59.3 -22.9 -7.4 5 16 A T - 0 0 97 -2,-0.4 2,-0.2 1,-0.1 -2,-0.0 -0.502 12.2-145.6 -73.2 134.8 -62.2 -24.9 -5.9 6 17 A K - 0 0 116 -2,-0.2 -1,-0.1 1,-0.1 410,-0.0 -0.587 25.5 -86.4-100.7 163.7 -65.7 -23.4 -6.5 7 18 A L - 0 0 26 -2,-0.2 -1,-0.1 1,-0.1 5,-0.1 -0.255 48.4-107.1 -61.2 152.6 -68.8 -23.5 -4.3 8 19 A K > - 0 0 112 1,-0.1 3,-2.4 3,-0.0 4,-0.3 -0.508 35.9-103.7 -78.3 154.7 -71.1 -26.5 -4.7 9 20 A P G > S+ 0 0 98 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.807 120.4 52.5 -49.2 -37.4 -74.4 -25.7 -6.6 10 21 A W G 3 S+ 0 0 183 1,-0.2 -3,-0.0 0, 0.0 -2,-0.0 0.425 102.8 61.1 -82.4 2.8 -76.5 -25.7 -3.4 11 22 A Q G < S+ 0 0 81 -3,-2.4 -1,-0.2 2,-0.1 415,-0.1 0.351 74.4 114.5-108.0 3.5 -74.2 -23.2 -1.8 12 23 A I S < S- 0 0 58 -3,-1.0 411,-0.1 -4,-0.3 407,-0.0 -0.613 72.3-111.0 -79.2 129.0 -74.7 -20.4 -4.3 13 24 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.171 27.2-158.3 -58.5 149.4 -76.4 -17.3 -2.8 14 25 A K > - 0 0 130 1,-0.1 3,-2.1 472,-0.0 4,-0.3 -0.913 30.0-117.1-124.5 151.2 -79.9 -16.3 -3.8 15 26 A R G > S+ 0 0 53 470,-0.5 3,-2.0 -2,-0.3 -1,-0.1 0.849 113.1 68.3 -56.7 -33.6 -81.3 -12.8 -3.4 16 27 A D G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.0 4,-0.1 0.550 78.3 79.3 -61.9 -12.8 -83.9 -14.3 -1.0 17 28 A W G < S+ 0 0 78 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.732 96.5 51.8 -68.1 -21.2 -81.0 -14.9 1.5 18 29 A F S < S- 0 0 12 -3,-2.0 411,-0.0 -4,-0.3 0, 0.0 -0.841 94.7-104.2-116.6 153.4 -81.3 -11.3 2.3 19 30 A D > - 0 0 104 -2,-0.3 3,-1.4 1,-0.1 -1,-0.1 -0.144 39.8 -95.5 -71.8 171.0 -84.4 -9.2 3.3 20 31 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.0 0.737 122.0 54.3 -57.4 -26.5 -86.2 -6.8 1.0 21 32 A D T 3 S+ 0 0 132 2,-0.1 -1,-0.3 419,-0.0 -2,-0.0 0.644 80.6 109.4 -85.4 -15.6 -84.3 -3.8 2.4 22 33 A F < - 0 0 7 -3,-1.4 2,-0.5 1,-0.1 418,-0.2 -0.312 61.2-141.7 -61.1 144.6 -80.8 -5.2 1.7 23 34 A L E -a 440 0A 36 416,-2.0 418,-2.1 63,-0.0 2,-0.4 -0.941 14.8-167.1-121.8 122.9 -79.0 -3.4 -1.1 24 35 A F E +a 441 0A 3 -2,-0.5 63,-2.4 416,-0.2 64,-1.3 -0.845 29.7 138.9-101.2 136.7 -76.7 -4.9 -3.8 25 36 A G E -ab 442 88A 1 416,-2.4 418,-2.4 -2,-0.4 2,-0.3 -0.832 40.6-116.3-155.4-166.6 -74.7 -2.5 -5.8 26 37 A A E -ab 443 89A 0 62,-1.3 64,-2.6 416,-0.3 2,-0.3 -0.956 23.5-141.3-143.0 159.1 -71.3 -1.7 -7.5 27 38 A S E +ab 444 90A 0 416,-2.4 418,-1.7 -2,-0.3 419,-1.6 -0.884 20.8 162.2-130.1 158.4 -68.7 0.9 -7.0 28 39 A T - 0 0 1 62,-1.9 2,-0.3 -2,-0.3 3,-0.1 -0.874 25.2-132.6-153.3 175.7 -66.2 3.2 -8.8 29 40 A S > - 0 0 0 -2,-0.3 4,-1.1 62,-0.2 5,-0.3 -0.979 25.2-112.6-139.4 151.4 -64.3 6.4 -8.0 30 41 A A H >> S+ 0 0 2 -2,-0.3 4,-2.4 1,-0.2 3,-0.8 0.887 111.9 42.6 -50.4 -56.3 -63.9 9.6 -10.1 31 42 A Y H 34 S+ 0 0 14 103,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.837 111.6 57.6 -65.5 -29.3 -60.2 9.5 -11.1 32 43 A Q H 34 S+ 0 0 2 -3,-0.2 418,-2.1 1,-0.1 -1,-0.2 0.714 126.3 9.3 -75.3 -19.3 -60.5 5.8 -11.8 33 44 A I H << S+ 0 0 6 -4,-1.1 37,-2.6 -3,-0.8 35,-0.6 0.641 107.1 76.7-132.0 -25.6 -63.2 6.0 -14.5 34 45 A E < + 0 0 6 -4,-2.4 37,-2.3 -5,-0.3 38,-0.4 0.889 55.3 179.2 -62.2 -49.4 -64.1 9.6 -15.5 35 46 A G + 0 0 4 29,-0.4 31,-0.3 -5,-0.4 -1,-0.1 -0.491 46.5 104.4 74.7-151.8 -61.4 10.7 -17.9 36 47 A A > + 0 0 8 29,-0.4 3,-1.3 1,-0.1 6,-0.2 0.875 46.7 170.0 41.4 46.1 -61.9 14.3 -19.2 37 48 A W T 3 S+ 0 0 67 28,-1.3 -1,-0.1 1,-0.3 8,-0.1 0.705 75.6 23.4 -60.1 -24.9 -59.1 15.3 -16.7 38 49 A N T 3 S+ 0 0 101 27,-0.2 3,-0.4 6,-0.1 -1,-0.3 0.048 99.2 122.3-129.6 22.0 -58.8 18.8 -18.2 39 50 A E S X S+ 0 0 60 -3,-1.3 3,-1.9 1,-0.2 -4,-0.0 -0.593 71.1 1.9 -94.2 151.9 -62.2 19.2 -19.8 40 51 A D T 3 S- 0 0 86 1,-0.3 -1,-0.2 -2,-0.2 69,-0.2 0.829 132.0 -48.2 44.9 46.9 -64.9 21.8 -19.2 41 52 A G T 3 S+ 0 0 52 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.436 89.8 155.2 82.2 -0.5 -62.9 23.8 -16.7 42 53 A K < - 0 0 19 -3,-1.9 55,-0.2 -6,-0.2 -1,-0.2 -0.367 34.1-139.6 -63.4 137.0 -61.8 21.0 -14.4 43 54 A G - 0 0 8 53,-2.7 2,-0.1 1,-0.1 58,-0.1 -0.505 28.9 -87.4 -91.7 165.4 -58.6 21.7 -12.5 44 55 A P - 0 0 62 0, 0.0 95,-2.3 0, 0.0 96,-0.6 -0.456 38.1-149.9 -75.4 143.7 -55.8 19.2 -11.9 45 56 A S B > -J 138 0B 0 93,-0.3 4,-2.5 94,-0.2 5,-0.2 -0.522 34.4 -98.0-102.4 174.4 -55.9 16.8 -9.0 46 57 A T H > S+ 0 0 4 91,-3.0 4,-2.4 1,-0.2 5,-0.1 0.798 126.5 51.5 -62.7 -28.2 -52.9 15.3 -7.1 47 58 A W H > S+ 0 0 0 90,-0.2 4,-2.4 2,-0.2 5,-0.2 0.852 106.6 51.6 -79.1 -33.4 -53.3 12.2 -9.2 48 59 A D H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.966 116.1 43.2 -61.8 -49.8 -53.3 14.1 -12.5 49 60 A H H X S+ 0 0 73 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.909 112.5 51.5 -61.3 -46.7 -50.1 15.8 -11.3 50 61 A F H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 7,-0.2 0.939 114.5 42.7 -57.8 -50.4 -48.5 12.6 -9.9 51 62 A C H < S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.884 116.5 47.4 -64.8 -39.7 -49.1 10.7 -13.2 52 63 A H H < S+ 0 0 74 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.740 120.7 36.9 -75.4 -23.7 -48.0 13.6 -15.4 53 64 A T H < S+ 0 0 54 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.789 132.2 24.0 -97.8 -34.1 -44.9 14.3 -13.4 54 65 A Y >< + 0 0 68 -4,-2.7 3,-2.3 -5,-0.3 -1,-0.2 -0.486 67.2 158.6-130.1 61.4 -43.8 10.8 -12.5 55 66 A P G > + 0 0 53 0, 0.0 3,-1.8 0, 0.0 6,-0.3 0.801 69.4 69.7 -55.4 -29.2 -45.3 8.5 -15.1 56 67 A E G 3 S+ 0 0 110 1,-0.3 5,-0.1 -3,-0.1 -5,-0.1 0.639 83.1 73.2 -64.6 -14.8 -42.8 5.8 -14.4 57 68 A R G < S+ 0 0 80 -3,-2.3 2,-0.6 -7,-0.2 -1,-0.3 0.452 82.2 79.3 -80.8 -0.6 -44.5 5.3 -11.0 58 69 A I S X S- 0 0 2 -3,-1.8 3,-2.2 1,-0.1 396,-0.2 -0.953 85.1-132.3-109.0 123.0 -47.4 3.6 -12.8 59 70 A S T 3 S+ 0 0 85 394,-3.2 395,-0.1 -2,-0.6 -1,-0.1 0.789 102.8 30.2 -39.4 -50.0 -46.6 -0.0 -13.7 60 71 A D T 3 S- 0 0 56 393,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.141 110.5-111.3-103.5 18.3 -47.9 0.1 -17.3 61 72 A M S < S+ 0 0 128 -3,-2.2 2,-0.2 -6,-0.3 -2,-0.1 0.823 76.5 127.1 57.8 35.1 -47.1 3.8 -17.9 62 73 A T - 0 0 40 -7,-0.1 2,-0.3 391,-0.1 -1,-0.2 -0.586 35.6-173.0-112.5 177.0 -50.8 4.7 -18.1 63 74 A N > - 0 0 41 -2,-0.2 4,-0.5 -3,-0.1 3,-0.4 -0.912 39.6 -91.5-156.6-178.1 -52.9 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 0.101 77.8 117.4 -93.8 23.4 -56.5 8.5 -15.8 65 76 A D T 4 S- 0 0 49 1,-0.1 -28,-1.3 -29,-0.1 -29,-0.4 0.896 104.0 -3.5 -53.9 -43.5 -56.5 11.1 -18.6 66 77 A V T >4 S+ 0 0 61 -3,-0.4 3,-2.9 -31,-0.3 4,-0.2 0.689 85.3 162.1-117.5 -41.6 -59.3 9.1 -20.3 67 78 A A T 3< S- 0 0 1 -4,-0.5 -34,-0.2 1,-0.3 -33,-0.1 -0.293 83.5 -23.2 53.7-128.3 -59.9 6.0 -18.1 68 79 A A T 3 S- 0 0 2 -35,-0.6 -1,-0.3 -36,-0.1 -34,-0.1 0.329 87.3-124.4 -93.3 6.9 -63.3 4.6 -19.0 69 80 A N X> + 0 0 38 -3,-2.9 4,-2.7 1,-0.1 3,-1.1 0.845 53.5 158.7 53.4 39.8 -64.3 8.0 -20.2 70 81 A S H 3> + 0 0 0 -37,-2.6 4,-1.0 1,-0.3 -36,-0.2 0.643 60.7 74.4 -68.0 -14.1 -67.3 8.0 -17.9 71 82 A Y H 34 S+ 0 0 18 -37,-2.3 -1,-0.3 -38,-0.2 -36,-0.1 0.905 116.5 21.3 -63.0 -37.8 -67.5 11.8 -18.0 72 83 A H H <4 S+ 0 0 92 -3,-1.1 3,-0.3 -38,-0.4 -2,-0.2 0.774 131.9 43.5 -97.7 -32.5 -68.9 11.2 -21.5 73 84 A L H >X + 0 0 48 -4,-2.7 3,-1.9 -39,-0.2 4,-0.9 0.103 68.4 122.1-104.7 23.1 -70.2 7.6 -21.2 74 85 A Y H 3X + 0 0 36 -4,-1.0 4,-2.2 1,-0.3 3,-0.5 0.788 68.8 65.7 -55.6 -29.4 -71.8 7.6 -17.8 75 86 A E H 3> S+ 0 0 80 -3,-0.3 4,-2.0 1,-0.3 -1,-0.3 0.809 98.3 54.0 -64.2 -26.8 -75.1 6.5 -19.4 76 87 A E H <> S+ 0 0 85 -3,-1.9 4,-1.8 2,-0.2 -1,-0.3 0.780 106.0 52.5 -76.0 -27.0 -73.5 3.3 -20.3 77 88 A D H X S+ 0 0 1 -4,-0.9 4,-2.0 -3,-0.5 -2,-0.2 0.910 110.0 47.9 -72.3 -41.7 -72.5 2.8 -16.6 78 89 A V H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.910 110.6 52.4 -63.1 -41.7 -76.1 3.4 -15.6 79 90 A K H X S+ 0 0 109 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.895 107.5 51.4 -61.6 -41.0 -77.2 0.9 -18.3 80 91 A A H X S+ 0 0 3 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.907 110.5 48.6 -63.1 -41.9 -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,-0.9 0.930 113.9 46.9 -62.9 -45.2 -76.1 -1.3 -13.4 82 93 A K H ><5S+ 0 0 110 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.917 109.1 53.6 -63.0 -45.4 -79.7 -1.6 -14.7 83 94 A D H 3<5S+ 0 0 51 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.802 112.6 44.7 -61.2 -29.3 -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 0.585 111.6-122.2 -89.2 -12.8 -77.4 -6.4 -13.7 85 96 A G T <<5 + 0 0 9 -4,-0.9 -3,-0.2 -3,-0.8 -61,-0.2 0.698 49.1 168.6 79.8 18.5 -80.4 -5.3 -11.6 86 97 A M < - 0 0 3 -5,-2.2 -1,-0.2 -6,-0.2 -61,-0.2 -0.382 26.7-160.1 -65.8 143.3 -78.2 -3.4 -9.1 87 98 A K S S+ 0 0 94 -63,-2.4 40,-3.1 1,-0.1 2,-0.3 0.586 71.7 43.7 -99.5 -14.1 -80.1 -1.2 -6.7 88 99 A V E -bc 25 127A 0 -64,-1.3 -62,-1.3 38,-0.2 2,-0.5 -0.982 55.8-165.2-136.0 145.6 -77.2 1.0 -5.6 89 100 A Y E -bc 26 128A 2 38,-2.1 40,-2.5 -2,-0.3 2,-0.7 -0.985 9.6-162.4-128.6 116.7 -74.3 2.8 -7.4 90 101 A R E +bc 27 129A 0 -64,-2.6 -62,-1.9 -2,-0.5 2,-0.3 -0.911 27.2 152.3-100.9 116.1 -71.5 4.0 -5.2 91 102 A F E - c 0 130A 4 38,-1.5 40,-2.8 -2,-0.7 2,-0.3 -0.848 34.2-121.6-134.7 170.9 -69.4 6.6 -7.0 92 103 A S E - c 0 131A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.823 14.5-124.0-119.5 159.8 -67.3 9.6 -6.0 93 104 A I - 0 0 1 38,-2.0 2,-0.7 -2,-0.3 41,-0.3 -0.857 25.7-124.7-101.7 132.1 -67.3 13.3 -6.8 94 105 A S >> - 0 0 3 -2,-0.5 4,-1.4 1,-0.2 3,-0.8 -0.671 15.0-160.7 -80.3 111.6 -64.2 14.9 -8.2 95 106 A W H 3> S+ 0 0 0 -2,-0.7 4,-3.1 41,-0.3 3,-0.5 0.917 92.2 50.4 -56.0 -47.1 -63.1 17.8 -6.0 96 107 A S H 34 S+ 0 0 0 40,-0.6 -53,-2.7 1,-0.2 -1,-0.3 0.687 107.4 54.0 -68.8 -17.8 -61.0 19.3 -8.8 97 108 A R H <4 S+ 0 0 1 -3,-0.8 13,-0.3 -55,-0.2 -1,-0.2 0.764 117.3 36.5 -85.1 -26.2 -63.9 19.1 -11.3 98 109 A I H < S+ 0 0 0 -4,-1.4 9,-2.9 -3,-0.5 -2,-0.2 0.815 134.9 22.0 -92.1 -36.6 -66.2 21.0 -8.9 99 110 A L >< - 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