==== 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 11-APR-01 1IEV . COMPND 2 MOLECULE: BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR M.HRMOVA,R.DEGORI,G.B.FINCHER,J.N.VARGHESE . 602 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 41 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.0 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 1 3 3 5 1 1 1 1 0 1 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 4 2 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 PARALLEL BRIDGES PER LADDER . 2 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 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 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 D 0 0 193 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.5 29.9 4.2 -2.0 2 2 A Y - 0 0 120 1,-0.1 2,-0.8 2,-0.0 5,-0.0 -0.229 360.0-151.9 -59.8 130.0 27.4 3.5 0.8 3 3 A V > - 0 0 34 1,-0.2 3,-1.5 -2,-0.0 4,-0.4 -0.843 4.6-166.0-107.9 96.0 27.7 5.4 4.0 4 4 A L G > S+ 0 0 31 -2,-0.8 3,-1.3 1,-0.3 6,-0.2 0.805 84.0 60.5 -50.3 -36.1 26.2 3.2 6.8 5 5 A Y G 3 S+ 0 0 5 1,-0.3 -1,-0.3 10,-0.1 10,-0.1 0.775 102.0 52.6 -69.9 -21.4 26.1 6.1 9.3 6 6 A K G < S+ 0 0 120 -3,-1.5 2,-0.8 1,-0.0 -1,-0.3 0.540 86.2 100.5 -87.5 -7.9 23.8 8.1 7.2 7 7 A D X - 0 0 36 -3,-1.3 3,-1.6 -4,-0.4 8,-0.1 -0.727 57.7-162.6 -82.7 108.5 21.4 5.2 6.9 8 8 A A T 3 S+ 0 0 57 -2,-0.8 -1,-0.2 1,-0.3 352,-0.1 0.693 84.7 65.3 -65.6 -14.5 18.5 5.8 9.3 9 9 A T T 3 S+ 0 0 117 2,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.592 84.9 94.8 -84.3 -8.3 17.5 2.1 9.1 10 10 A K S < S- 0 0 68 -3,-1.6 5,-0.1 -6,-0.2 2,-0.0 -0.432 86.5 -90.0 -82.2 154.2 20.7 0.8 10.8 11 11 A P >> - 0 0 73 0, 0.0 4,-1.7 0, 0.0 3,-0.6 -0.341 34.8-122.0 -54.7 138.7 21.4 -0.0 14.4 12 12 A V H 3> S+ 0 0 41 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.692 111.9 55.1 -57.2 -26.0 22.7 2.9 16.4 13 13 A E H 3> S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.865 108.0 48.9 -80.1 -28.9 25.8 1.0 17.4 14 14 A D H <> S+ 0 0 75 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.818 112.4 47.0 -70.9 -38.8 26.6 0.3 13.8 15 15 A R H X S+ 0 0 7 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.840 112.9 49.8 -70.5 -37.9 26.2 3.9 12.7 16 16 A V H X S+ 0 0 3 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.918 112.9 46.5 -68.0 -46.1 28.3 5.1 15.7 17 17 A A H X S+ 0 0 62 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.896 113.2 49.9 -64.2 -38.9 31.0 2.7 14.8 18 18 A D H < S+ 0 0 41 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.939 115.5 40.9 -64.9 -49.9 30.8 3.7 11.2 19 19 A L H >X S+ 0 0 0 -4,-2.6 3,-2.4 1,-0.2 4,-0.6 0.944 111.3 55.4 -63.3 -54.0 31.0 7.4 11.7 20 20 A L H >< S+ 0 0 26 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.904 102.3 59.9 -47.2 -43.8 33.6 7.2 14.5 21 21 A G T 3< S+ 0 0 68 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.693 106.2 46.4 -62.1 -17.8 35.8 5.3 12.0 22 22 A R T <4 S+ 0 0 84 -3,-2.4 2,-0.4 -4,-0.5 -1,-0.3 0.416 87.2 112.5-102.7 -1.8 35.8 8.2 9.6 23 23 A M << - 0 0 15 -3,-1.7 -3,-0.0 -4,-0.6 2,-0.0 -0.583 55.8-145.5 -83.4 129.0 36.5 11.0 12.0 24 24 A T > - 0 0 65 -2,-0.4 4,-1.7 1,-0.1 -2,-0.1 -0.244 37.0 -99.6 -70.4 177.6 39.8 12.9 12.0 25 25 A L H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.844 123.4 54.4 -70.7 -32.2 41.1 14.1 15.5 26 26 A A H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.853 108.0 49.9 -68.8 -36.5 39.8 17.6 15.0 27 27 A E H > S+ 0 0 7 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.863 110.7 50.3 -69.6 -37.7 36.4 16.2 14.4 28 28 A K H X S+ 0 0 19 -4,-1.7 4,-1.4 1,-0.2 3,-0.3 0.945 113.7 42.3 -66.3 -52.6 36.6 14.0 17.5 29 29 A I H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.859 109.6 61.5 -61.9 -31.8 37.7 16.8 19.9 30 30 A G H >< S+ 0 0 0 -4,-1.7 21,-2.4 -5,-0.2 3,-1.1 0.864 102.0 50.7 -63.1 -35.6 35.1 19.1 18.2 31 31 A Q H 3< S+ 0 0 6 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.843 106.2 55.5 -65.9 -41.9 32.3 16.7 19.2 32 32 A M T 3< S+ 0 0 0 -4,-1.4 283,-2.5 -5,-0.1 2,-0.5 0.246 93.6 92.1 -77.1 14.3 33.6 16.8 22.8 33 33 A T E < -a 315 0A 0 -3,-1.1 19,-1.1 16,-0.2 18,-1.0 -0.956 51.7-175.2-118.7 121.1 33.3 20.6 22.8 34 34 A Q E -ab 316 52A 0 281,-2.8 283,-1.8 -2,-0.5 2,-0.3 -0.973 12.5-176.4-115.4 124.5 30.3 22.5 24.0 35 35 A I E - b 0 53A 0 17,-1.7 19,-1.5 -2,-0.5 284,-0.2 -0.843 29.5-100.2-123.3 155.7 30.3 26.3 23.6 36 36 A E E >> - b 0 54A 4 282,-2.9 3,-2.6 -2,-0.3 4,-0.6 -0.455 27.5-124.8 -75.1 135.6 28.0 29.2 24.5 37 37 A R G >4 S+ 0 0 44 17,-2.4 3,-2.4 1,-0.3 -1,-0.1 0.925 108.9 69.5 -44.6 -41.8 25.8 30.6 21.7 38 38 A L G 34 S+ 0 0 116 1,-0.3 -1,-0.3 3,-0.0 281,-0.1 0.618 106.0 35.5 -52.1 -24.3 27.4 34.0 22.6 39 39 A V G <4 S+ 0 0 41 -3,-2.6 -1,-0.3 279,-0.2 2,-0.2 0.304 98.5 113.6-109.9 3.7 30.8 33.0 21.2 40 40 A A << + 0 0 13 -3,-2.4 3,-0.1 -4,-0.6 13,-0.0 -0.554 35.4 170.0 -81.3 145.4 29.3 30.9 18.3 41 41 A T > - 0 0 58 -2,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.933 46.8-112.0-148.8 153.8 29.6 31.7 14.6 42 42 A P H > S+ 0 0 66 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.892 123.1 42.5 -58.1 -37.1 28.7 29.7 11.5 43 43 A D H > S+ 0 0 84 2,-0.2 4,-4.2 3,-0.2 5,-0.5 0.900 112.1 50.7 -69.6 -49.9 32.5 29.5 10.8 44 44 A V H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 6,-0.3 0.942 116.9 43.4 -52.8 -44.7 33.6 28.8 14.4 45 45 A L H <>S+ 0 0 0 -4,-2.9 5,-1.7 2,-0.2 4,-0.4 0.909 120.3 41.4 -70.4 -37.9 31.0 26.0 14.4 46 46 A R H ><5S+ 0 0 86 -4,-2.0 3,-1.5 -5,-0.3 -2,-0.2 0.988 119.0 41.7 -75.8 -52.6 32.0 24.8 11.0 47 47 A D H 3<5S+ 0 0 104 -4,-4.2 -3,-0.2 1,-0.3 -2,-0.2 0.860 118.7 44.9 -64.1 -39.7 35.7 25.2 11.3 48 48 A N T 3<5S- 0 0 45 -4,-2.3 -1,-0.3 -5,-0.5 -2,-0.2 0.486 101.5-130.0 -85.2 2.9 36.0 23.8 14.7 49 49 A F T < 5 - 0 0 59 -3,-1.5 -16,-0.2 -4,-0.4 -3,-0.2 0.916 36.3-160.3 49.7 42.9 33.6 20.9 14.0 50 50 A I < - 0 0 3 -5,-1.7 -19,-0.2 -6,-0.3 -1,-0.2 -0.393 13.8-161.0 -60.2 136.1 31.8 22.0 17.2 51 51 A G + 0 0 0 -21,-2.4 40,-1.0 -18,-1.0 2,-0.3 0.519 62.1 9.6 -98.6 -16.7 29.6 19.3 18.7 52 52 A S E -bc 34 91A 0 -19,-1.1 -17,-1.7 -22,-0.3 2,-0.3 -0.981 54.2-159.2-159.4 157.7 27.1 21.1 21.0 53 53 A L E -bc 35 92A 0 38,-2.0 40,-3.0 -2,-0.3 2,-0.3 -0.956 11.3-165.9-134.7 156.5 25.9 24.6 22.0 54 54 A L E -bc 36 93A 0 -19,-1.5 -17,-2.4 -2,-0.3 2,-0.5 -0.971 21.0-135.4-142.1 158.3 24.2 25.9 25.1 55 55 A S - 0 0 0 38,-1.8 40,-0.5 -2,-0.3 2,-0.2 -0.949 26.9-148.4-105.1 122.9 22.3 28.9 26.3 56 56 A G > - 0 0 6 -2,-0.5 3,-3.3 1,-0.2 378,-0.0 -0.594 48.7 -62.5 -82.3 170.3 23.4 29.9 29.8 57 57 A G T 3 S+ 0 0 25 1,-0.3 377,-0.4 -2,-0.2 -1,-0.2 -0.156 129.8 9.4 -53.0 131.0 20.8 31.4 32.0 58 58 A G T 3 S+ 0 0 23 375,-0.3 2,-1.3 1,-0.2 -1,-0.3 0.342 92.6 130.4 83.1 -9.7 19.6 34.6 30.5 59 59 A S < + 0 0 9 -3,-3.3 -1,-0.2 374,-0.0 -22,-0.1 -0.643 35.5 144.3 -81.0 91.5 21.6 33.9 27.3 60 60 A V - 0 0 25 -2,-1.3 3,-0.1 -3,-0.1 43,-0.0 -0.858 61.8-111.9-131.6 164.5 18.8 34.5 24.8 61 61 A P S S- 0 0 39 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.887 93.6 -25.0 -59.3 -51.5 18.4 36.0 21.2 62 62 A R S > S- 0 0 147 4,-0.1 3,-1.3 -3,-0.0 2,-0.2 -0.937 79.1 -87.0-153.1 163.1 16.4 39.1 22.3 63 63 A K T 3 S+ 0 0 122 -2,-0.3 40,-0.1 1,-0.3 369,-0.0 -0.541 117.7 14.9 -71.6 149.5 14.2 40.0 25.3 64 64 A G T 3 S+ 0 0 36 1,-0.2 -1,-0.3 -2,-0.2 39,-0.1 0.704 89.4 168.9 58.1 23.5 10.7 38.9 24.6 65 65 A A < - 0 0 2 -3,-1.3 39,-0.2 1,-0.1 -1,-0.2 -0.334 29.7-125.0 -64.1 145.3 11.8 36.7 21.6 66 66 A T > - 0 0 76 1,-0.1 4,-1.6 37,-0.1 3,-0.1 -0.228 26.9 -96.9 -83.4-178.0 9.1 34.4 20.2 67 67 A A H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.850 123.8 52.2 -72.3 -27.4 9.3 30.7 19.8 68 68 A K H > S+ 0 0 129 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.830 104.2 57.9 -78.9 -20.8 10.3 31.0 16.1 69 69 A E H > S+ 0 0 46 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.905 109.7 45.1 -69.8 -42.2 13.1 33.4 17.0 70 70 A W H >X S+ 0 0 3 -4,-1.6 4,-2.1 2,-0.2 3,-0.5 0.961 114.6 47.1 -65.2 -50.8 14.5 30.7 19.2 71 71 A Q H 3X S+ 0 0 7 -4,-2.3 4,-3.3 66,-0.3 293,-0.3 0.907 112.1 52.4 -54.4 -43.7 13.9 28.0 16.4 72 72 A D H 3X S+ 0 0 107 -4,-3.4 4,-1.3 1,-0.2 -1,-0.2 0.773 110.0 47.2 -61.2 -36.7 15.5 30.4 13.9 73 73 A M H X S+ 0 0 27 -4,-1.7 4,-1.5 1,-0.2 3,-0.6 0.896 111.5 57.8 -67.2 -42.4 23.7 27.3 14.1 78 78 A Q H 3X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.768 100.4 57.6 -56.0 -41.2 22.6 23.8 13.0 79 79 A K H 3X S+ 0 0 134 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.822 103.1 52.3 -57.3 -42.1 23.1 24.7 9.4 80 80 A A H X< S+ 0 0 3 -4,-1.0 3,-1.0 -3,-0.6 -2,-0.2 0.983 115.1 42.4 -59.1 -52.7 26.8 25.6 10.0 81 81 A C H >< S+ 0 0 1 -4,-1.5 3,-1.9 1,-0.3 7,-0.4 0.915 108.8 55.7 -59.9 -51.3 27.4 22.1 11.7 82 82 A M H 3< S+ 0 0 56 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.721 101.7 64.8 -59.5 -14.6 25.4 20.2 9.1 83 83 A S T << S+ 0 0 53 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.052 78.2 106.4 -95.6 23.1 27.8 21.8 6.7 84 84 A T S < S- 0 0 25 -3,-1.9 -37,-0.1 4,-0.1 -38,-0.1 -0.444 92.0 -94.3 -90.0 173.7 30.9 20.1 7.9 85 85 A R S S+ 0 0 153 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.757 130.4 30.9 -57.4 -33.2 32.5 17.3 6.0 86 86 A L S S- 0 0 11 -5,-0.1 -1,-0.2 2,-0.1 -4,-0.1 0.531 98.6-139.9-101.3 -10.5 30.6 14.7 8.0 87 87 A G + 0 0 11 -6,-0.2 -5,-0.2 1,-0.2 -6,-0.1 0.954 32.1 176.8 48.2 53.0 27.6 17.0 8.6 88 88 A I - 0 0 10 -7,-0.4 -1,-0.2 1,-0.0 -5,-0.1 -0.817 28.8-125.3 -89.6 118.6 27.3 15.8 12.2 89 89 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 -10,-0.1 -0.350 19.1-125.2 -67.3 146.7 24.4 17.8 13.7 90 90 A M - 0 0 0 -12,-0.2 2,-0.4 272,-0.1 -38,-0.2 -0.479 15.4-131.8 -86.3 160.4 25.1 19.7 16.9 91 91 A I E -c 52 0A 0 -40,-1.0 -38,-2.0 -2,-0.1 2,-0.6 -0.953 16.8-145.2-113.2 130.8 22.9 19.2 20.1 92 92 A Y E -c 53 0A 0 -2,-0.4 50,-0.9 -40,-0.2 49,-0.8 -0.908 16.7-165.7-106.6 118.4 21.6 22.4 21.8 93 93 A G E +cd 54 142A 0 -40,-3.0 -38,-1.8 -2,-0.6 2,-0.3 -0.650 12.8 164.1-101.2 158.2 21.4 22.4 25.6 94 94 A I E - d 0 143A 0 48,-1.1 50,-2.2 -2,-0.2 2,-1.5 -0.978 46.3-100.1-167.5 148.6 19.6 24.7 28.0 95 95 A D + 0 0 16 -40,-0.5 2,-1.2 -2,-0.3 3,-0.2 -0.684 42.6 166.0 -75.3 80.6 18.5 24.8 31.7 96 96 A A + 0 0 3 -2,-1.5 4,-0.2 1,-0.2 -2,-0.1 -0.871 21.6 147.2 -94.7 81.4 14.8 24.1 31.2 97 97 A V S S+ 0 0 24 -2,-1.2 15,-0.2 333,-0.1 -1,-0.2 0.579 72.6 13.5 -97.6 -25.1 14.6 23.4 35.0 98 98 A H S S- 0 0 7 1,-0.9 11,-2.1 -3,-0.2 2,-0.2 -0.270 140.5 -42.1-142.8 54.3 11.1 24.6 36.0 99 99 A G S S- 0 0 1 9,-0.2 2,-2.0 -3,-0.1 -1,-0.9 -0.652 102.3 -45.3 112.2-174.4 9.7 24.8 32.5 100 100 A Q S > S+ 0 0 0 7,-0.4 3,-1.3 -2,-0.2 6,-0.2 -0.548 80.5 175.3 -82.5 64.6 11.5 26.3 29.4 101 101 A N T 3 + 0 0 0 -2,-2.0 331,-3.4 1,-0.2 -1,-0.2 0.532 60.1 58.1 -55.3 -18.2 12.4 29.1 31.9 102 102 A N T 3 S+ 0 0 6 329,-0.2 2,-0.4 -7,-0.2 -1,-0.2 0.747 91.8 91.1 -86.2 -17.9 14.7 31.4 29.9 103 103 A V S X S- 0 0 0 -3,-1.3 3,-2.5 1,-0.1 -3,-0.1 -0.594 82.4-119.4 -87.2 125.9 12.0 31.9 27.3 104 104 A Y T 3 S+ 0 0 110 -2,-0.4 338,-0.1 1,-0.3 3,-0.1 -0.303 101.2 16.7 -61.1 135.5 9.5 34.7 27.5 105 105 A G T 3 S+ 0 0 10 1,-0.3 -1,-0.3 -4,-0.1 337,-0.1 0.426 90.9 140.0 81.0 -8.5 6.0 33.3 27.7 106 106 A A < - 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