==== Secondary Structure Definition by the program DSSP, CMBI version 3.0 ==== DATE=2017-09-12 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 10-MAR-94 1AMY . COMPND MOL_ID: 1; MOLECULE: 1,4-ALPHA-D-GLUCAN GLUCANOHYDROLASE; CHAIN: A; EC . SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: HORDEUM VULGARE; ORGANISM_TAXID: 4513 . AUTHOR A.KADZIOLA,R.HASER . 403 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15064.3 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 9.7 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 . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 27 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 0 3 0 0 0 2 1 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 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 PARALLEL BRIDGES PER LADDER . 4 1 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 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 CHAIN AUTHCHAIN 1 1 A Q 0 0 78 0, 0.0 2,-0.5 0, 0.0 347,-0.1 0.000 360.0 360.0 360.0 102.0 5.4 49.9 17.8 A A 2 2 A V - 0 0 2 31,-0.2 33,-2.3 315,-0.1 34,-1.3 -0.994 360.0-153.5-118.4 123.7 8.1 52.5 17.7 A A 3 3 A L E -ab 319 36A 1 315,-2.8 317,-2.9 -2,-0.5 2,-0.3 -0.687 4.9-154.8 -89.4 158.8 6.5 55.9 18.7 A A 4 4 A F E -ab 320 37A 0 32,-2.3 34,-2.5 315,-0.3 2,-0.7 -0.929 14.6-135.5-130.1 149.2 7.7 59.4 17.6 A A 5 5 A Q E -ab 321 38A 2 315,-1.5 317,-2.0 -2,-0.3 2,-0.4 -0.943 17.2-161.3-105.4 104.6 7.2 62.7 19.5 A A 6 6 A G + 0 0 0 32,-2.3 2,-0.3 -2,-0.7 16,-0.1 0.048 64.6 37.2 -81.6 31.1 6.3 65.1 16.7 A A 7 7 A F - 0 0 1 -2,-0.4 315,-0.3 32,-0.1 2,-0.3 -0.965 57.3-160.3-164.0 168.3 7.0 68.3 18.6 A A 8 8 A N > - 0 0 13 -2,-0.3 3,-1.4 314,-0.1 4,-0.3 -0.877 51.0 -76.2-145.3-172.9 9.3 69.9 21.1 A A 9 9 A W T 3 S+ 0 0 49 -2,-0.3 3,-0.4 1,-0.3 4,-0.1 0.813 127.6 44.8 -64.8 -23.4 9.1 73.0 23.4 A A 10 10 A E T > S+ 0 0 66 1,-0.2 3,-2.2 2,-0.1 4,-0.3 0.569 81.8 101.2 -99.3 -3.6 9.6 75.5 20.6 A A 11 11 A S G X S+ 0 0 2 -3,-1.4 3,-1.3 1,-0.3 -1,-0.2 0.751 71.2 62.7 -58.1 -29.6 7.4 74.0 18.0 A A 12 12 A W G 3 S+ 0 0 54 -3,-0.4 -1,-0.3 -4,-0.3 6,-0.1 0.744 97.4 62.0 -67.0 -20.9 4.5 76.4 18.5 A A 13 13 A K G < S+ 0 0 114 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.605 75.6 132.0 -74.1 -22.7 6.8 79.2 17.4 A A 14 14 A H X - 0 0 65 -3,-1.3 3,-1.7 -4,-0.3 2,-0.2 0.012 65.3-111.8 -45.1 130.3 7.4 77.8 14.0 A A 15 15 A N T 3 S+ 0 0 157 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.452 103.2 8.2 -61.2 124.8 7.1 80.1 11.0 A A 16 16 A G T 3 S- 0 0 53 -2,-0.2 -1,-0.2 -3,-0.1 4,-0.2 0.423 127.6 -64.0 87.5 -2.0 4.1 78.9 9.0 A A 17 17 A G <> - 0 0 12 -3,-1.7 4,-2.2 3,-0.1 5,-0.2 0.407 34.2-114.6 97.8 134.7 2.8 76.4 11.6 A A 18 18 A W H > S+ 0 0 5 45,-0.3 4,-3.3 2,-0.2 5,-0.2 0.901 113.0 52.8 -67.1 -41.9 3.9 73.2 13.1 A A 19 19 A Y H > S+ 0 0 1 45,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.981 113.6 44.9 -61.6 -46.6 1.3 71.0 11.6 A A 20 20 A N H > S+ 0 0 74 44,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.863 113.8 49.7 -59.9 -41.9 2.1 72.3 8.1 A A 21 21 A F H >< S+ 0 0 67 -4,-2.2 3,-1.0 1,-0.2 4,-0.4 0.963 107.7 53.8 -65.1 -43.5 5.7 72.0 8.7 A A 22 22 A L H >X S+ 0 0 1 -4,-3.3 3,-1.6 1,-0.3 4,-0.6 0.788 92.4 72.5 -70.2 -21.8 5.2 68.5 9.9 A A 23 23 A M H >< S+ 0 0 72 -4,-1.7 3,-1.6 1,-0.3 4,-0.4 0.954 94.8 56.4 -51.5 -44.1 3.3 67.6 6.7 A A 24 24 A G T << S+ 0 0 55 -4,-1.0 -1,-0.3 -3,-1.0 4,-0.2 0.726 105.3 49.3 -63.6 -21.5 6.7 67.8 5.0 A A 25 25 A K T <> S+ 0 0 55 -3,-1.6 4,-2.6 -4,-0.4 -1,-0.3 0.417 82.2 97.3 -99.3 3.9 8.3 65.2 7.4 A A 26 26 A V H S+ 0 0 86 -4,-0.4 4,-3.1 -3,-0.2 -1,-0.2 0.919 113.8 46.4 -70.7 -40.7 7.3 60.4 4.5 A A 28 28 A D H > S+ 0 0 61 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 111.7 49.9 -68.9 -43.9 10.4 60.3 6.5 A A 29 29 A I H <>S+ 0 0 1 -4,-2.6 5,-1.2 2,-0.2 3,-0.3 0.954 114.1 46.8 -59.3 -48.2 8.6 59.5 9.7 A A 30 30 A A H ><5S+ 0 0 23 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.935 109.7 53.2 -60.3 -47.6 6.8 56.7 7.8 A A 31 31 A A H 3<5S+ 0 0 83 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.841 97.4 66.6 -54.4 -35.1 10.0 55.3 6.2 A A 32 32 A A T 3<5S- 0 0 4 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.552 117.2-107.5 -71.1 -8.9 11.8 55.1 9.6 A A 33 33 A G T < 5 + 0 0 31 -3,-1.8 2,-0.4 -4,-0.3 -31,-0.2 0.595 63.4 160.1 91.7 19.7 9.5 52.4 10.7 A A 34 34 A I < - 0 0 5 -5,-1.2 -1,-0.3 -4,-0.2 -31,-0.2 -0.586 22.7-172.6 -79.3 122.5 7.6 54.6 13.1 A A 35 35 A T + 0 0 46 -33,-2.3 48,-1.7 -2,-0.4 2,-0.3 0.620 65.1 22.0 -87.6 -23.7 4.2 53.3 14.0 A A 36 36 A H E -bc 3 83A 19 -34,-1.3 -32,-2.3 46,-0.2 2,-0.4 -0.988 58.0-155.9-146.3 142.2 2.8 56.2 16.1 A A 37 37 A V E -bc 4 84A 1 46,-2.7 48,-2.5 -2,-0.3 2,-0.6 -0.991 14.3-140.9-127.2 137.3 3.4 59.9 16.4 A A 38 38 A W E -bc 5 85A 3 -34,-2.5 -32,-2.3 -2,-0.4 48,-0.2 -0.856 20.4-157.8 -94.0 116.1 2.5 61.9 19.5 A A 39 39 A L E - c 0 86A 1 46,-2.9 48,-0.5 -2,-0.6 3,-0.1 -0.615 20.0-107.6 -96.4 153.7 1.1 65.3 18.6 A A 40 40 A P - 0 0 1 0, 0.0 47,-0.5 0, 0.0 2,-0.5 -0.126 59.6 -57.3 -73.8 179.2 1.1 68.4 21.0 A A 41 41 A P - 0 0 4 0, 0.0 23,-0.2 0, 0.0 47,-0.1 -0.450 50.2-160.9 -61.9 117.2 -2.1 69.8 22.7 A A 42 42 A A + 0 0 12 -2,-0.5 20,-0.2 45,-0.3 22,-0.1 0.773 54.9 72.8 -73.3 -33.6 -4.5 70.6 20.0 A A 43 43 A S S S- 0 0 7 1,-0.2 20,-0.2 7,-0.1 16,-0.2 -0.133 91.9 -65.8 -90.5-176.7 -6.9 73.0 21.7 A A 44 44 A Q + 0 0 26 14,-1.0 10,-3.0 11,-0.9 2,-0.4 -0.355 57.5 171.6 -64.8 135.7 -7.0 76.6 22.8 A A 45 45 A S B -I 53 0B 21 16,-0.3 6,-0.1 8,-0.3 18,-0.1 -1.000 42.4-134.1-152.2 142.8 -4.7 77.2 25.7 A A 46 46 A V S S+ 0 0 87 6,-1.7 2,-0.6 -2,-0.4 -1,-0.1 0.915 99.4 63.6 -58.5 -47.4 -3.4 80.2 27.6 A A 47 47 A A S > S- 0 0 19 5,-0.2 3,-2.8 1,-0.1 5,-0.4 -0.755 91.6-131.3 -87.8 121.2 0.1 78.9 27.5 A A 48 48 A E T 3 S+ 0 0 89 -2,-0.6 15,-0.4 1,-0.3 -1,-0.1 0.682 102.3 60.4 -42.4 -34.8 1.1 78.7 23.8 A A 49 49 A Q T 3 S- 0 0 26 14,-0.1 -1,-0.3 13,-0.1 -3,-0.1 0.619 113.7-116.5 -76.1 -15.1 2.5 75.2 23.9 A A 50 50 A G S < S+ 0 0 3 -3,-2.8 -7,-0.1 -10,-0.1 -2,-0.1 0.347 80.1 118.7 108.4 -3.1 -0.9 74.0 24.9 A A 51 51 A Y S S+ 0 0 26 1,-0.2 -3,-0.1 -6,-0.1 -1,-0.0 0.213 72.3 62.0 -87.7 26.7 -0.7 72.5 28.4 A A 52 52 A M S S- 0 0 40 -5,-0.4 -6,-1.7 42,-0.0 -1,-0.2 -0.365 81.9-172.5-139.4 55.0 -3.1 75.1 29.9 A A 53 53 A P B +I 45 0B 4 0, 0.0 41,-3.1 0, 0.0 -8,-0.3 -0.100 21.3 161.4 -69.6 146.3 -6.3 74.4 27.9 A A 54 54 A G S S+ 0 0 5 -10,-3.0 2,-2.3 39,-0.2 -9,-0.1 0.454 71.9 35.2-120.8 -80.2 -9.5 76.4 28.0 A A 55 55 A R S > S- 0 0 57 1,-0.2 3,-2.9 3,-0.1 -11,-0.9 -0.488 70.1-172.0 -86.1 80.0 -11.9 75.9 25.1 A A 56 56 A L T 3 S+ 0 0 4 -2,-2.3 -1,-0.2 1,-0.3 54,-0.2 0.723 81.9 49.6 -38.8 -38.6 -11.2 72.2 24.6 A A 57 57 A Y T 3 S+ 0 0 18 52,-3.0 2,-1.3 58,-0.1 -1,-0.3 0.482 88.6 91.9 -85.1 -5.0 -13.3 72.0 21.4 A A 58 58 A D X + 0 0 33 -3,-2.9 -14,-1.0 51,-0.3 3,-0.6 -0.668 39.3 159.2 -93.8 87.2 -11.6 75.1 19.8 A A 59 59 A L G > + 0 0 2 -2,-1.3 3,-1.7 -16,-0.2 -1,-0.2 0.708 64.6 73.2 -75.4 -16.3 -8.7 73.6 17.8 A A 60 60 A D G 3 S+ 0 0 93 1,-0.3 -1,-0.2 6,-0.2 -2,-0.1 0.750 87.1 58.4 -79.6 -13.2 -8.5 76.7 15.7 A A 61 61 A A G < S+ 0 0 38 -3,-0.6 -16,-0.3 -6,-0.2 -1,-0.3 0.408 79.2 121.7 -90.3 3.4 -7.0 78.8 18.3 A A 62 62 A S X - 0 0 14 -3,-1.7 3,-0.6 3,-0.3 -18,-0.1 -0.384 63.6-140.9 -64.0 143.0 -4.0 76.4 18.6 A A 63 63 A K T 3 S+ 0 0 125 -15,-0.4 -45,-0.3 -20,-0.2 -1,-0.2 0.728 100.7 66.1 -74.0 -16.2 -0.7 78.0 17.9 A A 64 64 A Y T 3 S- 0 0 1 1,-0.3 -45,-2.1 -23,-0.2 -44,-0.4 0.692 122.8 -86.0 -78.5 -17.8 0.3 74.8 16.1 A A 65 65 A G < - 0 0 13 -3,-0.6 -1,-0.3 -6,-0.2 -3,-0.3 -0.862 55.6 -63.4 137.8-168.9 -2.3 75.5 13.5 A A 66 66 A N > - 0 0 48 -2,-0.3 4,-1.9 -3,-0.1 -6,-0.2 -0.516 46.6 -89.2-111.8-173.7 -5.9 74.9 13.1 A A 67 67 A K H > S+ 0 0 69 1,-0.2 4,-2.8 2,-0.2 3,-0.4 0.896 123.1 52.6 -58.0 -45.7 -8.5 72.0 12.8 A A 68 68 A A H > S+ 0 0 60 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.954 111.5 45.8 -52.1 -50.7 -8.2 72.0 9.1 A A 69 69 A Q H > S+ 0 0 49 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.769 110.5 53.5 -65.0 -32.2 -4.5 71.6 9.2 A A 70 70 A L H X S+ 0 0 0 -4,-1.9 4,-3.1 -3,-0.4 5,-0.3 0.942 109.4 47.1 -73.2 -50.5 -4.6 68.9 11.9 A A 71 71 A K H X S+ 0 0 88 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.868 112.0 52.2 -63.5 -33.9 -7.0 66.7 9.9 A A 72 72 A S H X S+ 0 0 68 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.995 114.1 43.2 -59.8 -56.4 -4.7 67.3 6.8 A A 73 73 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.912 115.5 47.0 -52.2 -49.8 -1.7 66.1 9.0 A A 74 74 A I H X S+ 0 0 3 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.874 110.8 54.3 -67.8 -32.0 -3.5 63.2 10.6 A A 75 75 A G H X S+ 0 0 41 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.918 109.0 48.8 -62.1 -42.3 -4.8 62.2 7.1 A A 76 76 A A H X S+ 0 0 26 -4,-2.3 4,-1.2 2,-0.2 6,-0.2 0.929 111.7 47.3 -62.0 -48.3 -1.2 62.2 5.8 A A 77 77 A L H ><>S+ 0 0 1 -4,-2.5 5,-2.8 1,-0.2 3,-1.0 0.963 115.2 46.2 -61.1 -46.1 -0.0 60.1 8.7 A A 78 78 A H H ><5S+ 0 0 74 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.903 106.1 60.7 -66.8 -33.1 -2.9 57.7 8.2 A A 79 79 A G H 3<5S+ 0 0 66 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.787 109.6 42.1 -64.7 -26.7 -2.3 57.7 4.5 A A 80 80 A K T <<5S- 0 0 102 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 -0.174 125.2 -96.1-115.7 39.7 1.2 56.3 5.1 A A 81 81 A G T < 5S+ 0 0 67 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.409 81.1 126.9 74.4 -0.2 0.2 53.8 7.8 A A 82 82 A V < - 0 0 5 -5,-2.8 2,-0.3 -6,-0.2 -46,-0.2 -0.733 50.5-135.5-106.3 146.8 1.0 55.7 10.9 A A 83 83 A K E -c 36 0A 84 -48,-1.7 -46,-2.7 -2,-0.4 2,-0.3 -0.674 13.0-140.5 -89.0 145.2 -1.3 56.4 13.9 A A 84 84 A A E -c 37 0A 0 88,-0.4 90,-2.6 -2,-0.3 91,-0.9 -0.768 16.1-165.9-105.9 141.1 -1.6 59.8 15.5 A A 85 85 A I E -cd 38 175A 0 -48,-2.5 -46,-2.9 -2,-0.3 2,-0.3 -0.994 11.6-133.5-133.2 148.0 -2.0 60.1 19.2 A A 86 86 A A E -cd 39 176A 5 89,-2.4 91,-2.3 -2,-0.4 2,-1.0 -0.701 12.3-124.6-108.5 148.4 -3.0 63.1 21.2 A A 87 87 A D E - d 0 177A 8 -48,-0.5 2,-0.6 -47,-0.5 -45,-0.3 -0.777 30.9-161.0 -91.1 102.0 -1.8 64.9 24.3 A A 88 88 A I E - d 0 178A 2 89,-2.7 91,-2.2 -2,-1.0 2,-0.8 -0.784 8.9-173.4 -91.1 117.6 -4.8 64.9 26.5 A A 89 89 A V + 0 0 4 -2,-0.6 91,-0.1 89,-0.2 89,-0.1 -0.875 30.3 136.1-114.8 94.1 -4.5 67.6 29.2 A A 90 90 A I + 0 0 5 -2,-0.8 59,-0.2 89,-0.4 -1,-0.1 0.259 42.3 87.2-126.7 10.4 -7.4 67.0 31.5 A A 91 91 A N S S+ 0 0 0 88,-0.3 58,-2.2 1,-0.2 2,-0.3 0.861 105.9 12.2 -70.2 -32.1 -6.2 67.3 35.1 A A 92 92 A H B -J 148 0C 4 56,-0.3 2,-0.3 50,-0.1 56,-0.2 -0.900 65.7-168.9-138.5 162.7 -6.7 71.1 35.0 A A 93 93 A R - 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