==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUN-98 1BG9 . COMPND 2 MOLECULE: 1,4-ALPHA-D-GLUCAN GLUCANOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR A.KADZIOLA,R.HASER . 403 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 9.9 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 . 30 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 23.3 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 2 1 0 0 2 1 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 3 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 1 1 A Q 0 0 80 0, 0.0 2,-0.5 0, 0.0 347,-0.1 0.000 360.0 360.0 360.0 109.8 5.4 49.8 18.1 2 2 A V - 0 0 2 31,-0.2 33,-3.0 315,-0.1 34,-1.3 -0.983 360.0-152.4-121.7 128.1 8.0 52.5 18.0 3 3 A L E -ab 36 319A 0 315,-3.1 317,-3.1 -2,-0.5 2,-0.3 -0.716 6.2-158.8 -90.5 157.1 6.6 55.9 18.9 4 4 A F E -ab 37 320A 0 32,-2.1 34,-2.2 -2,-0.3 2,-0.7 -0.939 16.6-135.6-129.8 149.1 7.9 59.3 17.8 5 5 A Q E -ab 38 321A 1 315,-1.7 317,-1.4 -2,-0.3 2,-1.2 -0.932 18.1-157.6-106.3 106.3 7.2 62.6 19.7 6 6 A G + 0 0 0 32,-2.0 2,-0.3 -2,-0.7 16,-0.1 -0.147 63.6 30.4 -86.2 44.9 6.3 64.9 16.9 7 7 A F - 0 0 1 -2,-1.2 315,-0.4 32,-0.1 2,-0.3 -0.967 58.1-155.6-175.8 169.7 7.1 68.3 18.6 8 8 A N > - 0 0 13 -2,-0.3 3,-1.4 314,-0.1 4,-0.3 -0.847 49.2 -74.4-146.5-167.3 9.3 69.9 21.2 9 9 A W T 3 S+ 0 0 46 1,-0.3 3,-0.2 -2,-0.3 4,-0.1 0.748 127.8 45.6 -71.6 -18.0 9.0 73.0 23.5 10 10 A E T > S+ 0 0 60 1,-0.2 3,-1.9 2,-0.1 4,-0.3 0.585 82.0 100.8 -99.8 -5.9 9.7 75.5 20.7 11 11 A S G X S+ 0 0 3 -3,-1.4 3,-1.8 1,-0.3 7,-0.2 0.783 72.5 61.5 -58.5 -32.5 7.4 74.0 18.1 12 12 A W G 3 S+ 0 0 54 -4,-0.3 -1,-0.3 1,-0.3 6,-0.2 0.825 99.1 60.3 -61.9 -29.8 4.5 76.4 18.6 13 13 A K G < S+ 0 0 118 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.582 76.8 131.5 -70.0 -17.4 6.9 79.2 17.5 14 14 A H X - 0 0 69 -3,-1.8 3,-2.1 -4,-0.3 2,-0.2 -0.059 65.7-109.1 -51.7 133.6 7.6 77.7 14.1 15 15 A N T 3 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.420 103.4 7.0 -61.8 121.2 7.3 80.0 11.1 16 16 A G T 3 S- 0 0 53 -2,-0.2 -1,-0.3 -3,-0.1 4,-0.2 0.410 128.9 -62.4 89.5 -0.4 4.2 79.0 9.1 17 17 A G <> - 0 0 13 -3,-2.1 4,-2.1 3,-0.1 47,-0.1 0.480 37.5-116.1 92.5 126.7 2.9 76.5 11.7 18 18 A W H > S+ 0 0 8 45,-0.3 4,-3.2 -7,-0.2 5,-0.2 0.874 111.3 53.2 -61.2 -44.2 4.1 73.3 13.1 19 19 A Y H > S+ 0 0 2 45,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.979 113.0 47.1 -64.3 -41.6 1.4 70.9 11.8 20 20 A N H > S+ 0 0 73 44,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.883 113.1 48.7 -57.6 -42.6 2.1 72.3 8.3 21 21 A F H >< S+ 0 0 61 -4,-2.1 3,-1.2 1,-0.2 4,-0.4 0.967 107.9 53.9 -61.9 -48.6 5.8 71.9 8.9 22 22 A L H >X S+ 0 0 2 -4,-3.2 3,-1.3 1,-0.3 4,-0.8 0.752 91.3 74.3 -63.3 -26.6 5.2 68.4 10.1 23 23 A M H >< S+ 0 0 75 -4,-1.8 3,-1.3 1,-0.3 4,-0.4 0.946 94.6 55.3 -46.7 -46.0 3.3 67.5 6.9 24 24 A G T << S+ 0 0 52 -3,-1.2 4,-0.3 -4,-0.8 3,-0.3 0.772 105.6 49.8 -62.6 -26.0 6.8 67.6 5.2 25 25 A K T <> S+ 0 0 58 -3,-1.3 4,-2.5 -4,-0.4 -1,-0.2 0.511 80.6 96.9 -96.8 -0.0 8.3 65.0 7.7 26 26 A V H S+ 0 0 89 -4,-0.4 4,-3.2 -3,-0.3 -1,-0.2 0.948 112.6 47.8 -68.4 -45.0 7.3 60.2 4.8 28 28 A D H > S+ 0 0 53 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.894 114.2 47.7 -59.5 -43.5 10.6 60.2 6.7 29 29 A I H X>S+ 0 0 3 -4,-2.5 5,-1.4 2,-0.2 4,-0.5 0.920 112.4 47.7 -65.6 -43.1 8.8 59.3 9.8 30 30 A A H ><5S+ 0 0 22 -4,-2.7 3,-1.5 -5,-0.2 -2,-0.2 0.955 111.6 52.8 -64.1 -43.4 6.8 56.6 8.2 31 31 A A H 3<5S+ 0 0 78 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.811 95.8 65.4 -61.6 -39.5 10.0 55.3 6.6 32 32 A A H 3<5S- 0 0 5 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.666 120.2-103.9 -59.8 -17.3 12.0 55.0 10.0 33 33 A G T <<5 + 0 0 28 -3,-1.5 2,-0.3 -4,-0.5 -31,-0.2 0.597 66.5 159.9 99.3 20.6 9.5 52.3 11.0 34 34 A I < - 0 0 6 -5,-1.4 -1,-0.3 -4,-0.2 -31,-0.2 -0.566 21.0-176.3 -82.0 134.5 7.6 54.6 13.4 35 35 A T + 0 0 43 -33,-3.0 48,-2.4 1,-0.3 2,-0.3 0.572 65.5 25.4-106.5 -24.1 4.1 53.4 14.2 36 36 A H E -ac 3 83A 17 -34,-1.3 -32,-2.1 46,-0.2 2,-0.4 -0.991 58.7-159.5-142.0 140.8 2.7 56.3 16.3 37 37 A V E -ac 4 84A 1 46,-2.4 48,-3.0 -2,-0.3 2,-0.6 -0.990 16.1-139.8-123.0 137.8 3.5 60.0 16.6 38 38 A W E -ac 5 85A 1 -34,-2.2 -32,-2.0 -2,-0.4 48,-0.2 -0.878 20.6-157.4 -96.9 117.0 2.5 62.0 19.7 39 39 A L E - c 0 86A 0 46,-2.6 48,-0.6 -2,-0.6 3,-0.1 -0.575 20.8-105.1 -95.5 154.0 1.2 65.3 18.7 40 40 A P - 0 0 3 0, 0.0 47,-0.2 0, 0.0 -1,-0.1 -0.290 59.3 -60.0 -75.3 167.8 1.2 68.4 21.1 41 41 A P - 0 0 5 0, 0.0 23,-0.2 0, 0.0 47,-0.1 -0.224 48.4-159.6 -52.1 121.1 -2.0 69.7 22.8 42 42 A A + 0 0 11 45,-0.4 20,-0.3 -3,-0.1 22,-0.2 0.806 54.7 79.4 -76.3 -35.4 -4.5 70.7 20.1 43 43 A S S S- 0 0 10 1,-0.2 16,-0.2 7,-0.1 20,-0.2 -0.155 92.6 -70.2 -74.8 173.4 -7.0 73.1 21.9 44 44 A Q - 0 0 26 14,-1.3 10,-2.9 11,-0.9 2,-0.3 -0.375 57.5-178.2 -60.0 129.1 -6.9 76.7 22.8 45 45 A S B -I 53 0B 23 16,-0.3 6,-0.1 8,-0.3 -1,-0.0 -0.943 36.8-138.5-136.4 150.2 -4.5 77.2 25.6 46 46 A V S S+ 0 0 89 6,-2.0 2,-0.5 -2,-0.3 -1,-0.1 0.872 99.2 60.9 -74.9 -35.3 -3.5 80.2 27.6 47 47 A A S > S- 0 0 26 5,-0.2 3,-2.1 1,-0.1 5,-0.5 -0.832 92.2-130.3 -97.2 131.3 0.1 79.0 27.4 48 48 A E T 3 S+ 0 0 88 -2,-0.5 15,-0.4 1,-0.3 -1,-0.1 0.705 100.5 62.2 -56.0 -29.5 1.3 78.8 23.8 49 49 A Q T 3 S- 0 0 29 1,-0.1 -1,-0.3 13,-0.1 -38,-0.0 0.639 112.9-111.4 -77.5 -16.0 2.6 75.3 24.0 50 50 A G S < S+ 0 0 3 -3,-2.1 -7,-0.1 -10,-0.1 -2,-0.1 0.089 83.9 113.1 118.8 -18.7 -0.7 73.9 24.9 51 51 A Y S S+ 0 0 26 1,-0.3 -3,-0.1 -6,-0.1 -6,-0.0 0.281 71.4 61.3 -84.8 21.7 -0.6 72.7 28.5 52 52 A M S S- 0 0 35 -5,-0.5 -6,-2.0 42,-0.0 -1,-0.3 -0.419 81.0-170.6-137.1 57.1 -2.9 75.2 29.9 53 53 A P B +I 45 0B 6 0, 0.0 41,-3.5 0, 0.0 -8,-0.3 -0.111 21.9 157.7 -67.7 149.9 -6.2 74.4 28.0 54 54 A G + 0 0 3 -10,-2.9 2,-2.2 39,-0.2 -9,-0.1 0.404 69.0 37.1-126.7 -83.8 -9.4 76.4 27.9 55 55 A R > - 0 0 57 1,-0.2 3,-1.8 3,-0.1 -11,-0.9 -0.506 68.6-172.0 -84.1 84.2 -11.8 76.0 25.1 56 56 A L T 3 S+ 0 0 4 -2,-2.2 -1,-0.2 1,-0.3 54,-0.2 0.786 81.0 46.1 -46.6 -37.8 -11.3 72.3 24.6 57 57 A Y T 3 S+ 0 0 17 52,-2.8 2,-1.6 1,-0.1 -1,-0.3 0.591 90.7 90.2 -85.9 -8.8 -13.3 72.1 21.4 58 58 A D < + 0 0 33 -3,-1.8 -14,-1.3 51,-0.4 3,-0.4 -0.637 41.9 159.4 -88.2 82.8 -11.7 75.1 19.9 59 59 A L > + 0 0 3 -2,-1.6 3,-1.5 -16,-0.2 -1,-0.2 0.678 62.5 76.5 -74.3 -15.1 -8.8 73.6 18.0 60 60 A D T 3 S+ 0 0 96 1,-0.3 -1,-0.2 6,-0.2 5,-0.1 0.839 84.1 58.4 -68.5 -32.8 -8.5 76.7 15.9 61 61 A A T 3 S+ 0 0 42 -3,-0.4 -16,-0.3 -6,-0.2 -1,-0.3 0.423 78.4 123.7 -74.7 2.9 -6.8 79.0 18.4 62 62 A S < - 0 0 13 -3,-1.5 3,-0.4 3,-0.3 -18,-0.1 -0.401 62.9-141.5 -64.0 141.8 -3.9 76.5 18.7 63 63 A K S S+ 0 0 123 -15,-0.4 -45,-0.3 -20,-0.2 -1,-0.2 0.560 99.4 63.8 -76.6 -8.8 -0.6 78.1 18.0 64 64 A Y S S- 0 0 2 1,-0.4 -45,-2.2 -23,-0.2 -44,-0.5 0.743 123.3 -71.2 -85.6 -25.5 0.4 74.9 16.2 65 65 A G - 0 0 10 -3,-0.4 -1,-0.4 -6,-0.2 -3,-0.3 -0.904 55.9 -73.6 155.8-178.1 -2.2 75.3 13.6 66 66 A N >> - 0 0 52 -2,-0.3 4,-2.0 -3,-0.1 3,-0.7 -0.651 49.4 -91.9-104.4 172.1 -6.0 75.1 13.2 67 67 A K H 3> S+ 0 0 65 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.852 124.3 56.3 -47.7 -45.6 -8.5 72.1 13.1 68 68 A A H 3> S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.931 109.9 44.5 -55.9 -44.8 -8.2 72.0 9.3 69 69 A Q H <> S+ 0 0 54 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.888 110.3 55.2 -69.6 -37.5 -4.4 71.6 9.4 70 70 A L H X S+ 0 0 1 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.970 108.6 47.7 -58.9 -50.2 -4.6 69.0 12.2 71 71 A K H X S+ 0 0 77 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.857 110.2 51.9 -65.0 -34.2 -6.9 66.8 10.2 72 72 A S H X S+ 0 0 67 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.980 112.6 45.9 -65.2 -49.1 -4.7 67.0 7.2 73 73 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.920 114.9 45.7 -58.5 -46.8 -1.6 66.0 9.3 74 74 A I H X S+ 0 0 2 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.888 112.2 54.3 -68.6 -29.7 -3.5 63.1 10.9 75 75 A G H X S+ 0 0 39 -4,-2.4 4,-3.1 -5,-0.3 -2,-0.2 0.927 110.0 45.9 -63.8 -43.7 -4.8 62.2 7.4 76 76 A A H X S+ 0 0 29 -4,-2.8 4,-1.5 2,-0.2 6,-0.2 0.943 112.1 49.6 -66.8 -45.9 -1.3 62.1 6.1 77 77 A L H ><>S+ 0 0 2 -4,-2.8 5,-2.0 1,-0.2 3,-0.8 0.966 114.6 46.3 -60.9 -43.3 0.0 60.0 9.0 78 78 A H H ><5S+ 0 0 74 -4,-2.7 3,-2.4 1,-0.3 -2,-0.2 0.918 106.8 56.4 -67.8 -38.8 -2.8 57.7 8.6 79 79 A G H 3<5S+ 0 0 70 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.770 109.6 49.0 -62.9 -23.5 -2.3 57.5 4.8 80 80 A K T <<5S- 0 0 90 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.263 124.6 -99.4 -99.3 10.1 1.2 56.4 5.5 81 81 A G T < 5S+ 0 0 67 -3,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.240 82.4 121.7 97.7 -14.4 0.4 53.7 8.1 82 82 A V < - 0 0 2 -5,-2.0 -1,-0.3 -6,-0.2 2,-0.2 -0.556 52.6-135.4 -99.4 149.9 1.1 55.6 11.3 83 83 A K E -c 36 0A 77 -48,-2.4 -46,-2.4 -2,-0.2 2,-0.5 -0.576 12.4-138.5 -88.6 162.4 -1.2 56.4 14.1 84 84 A A E -c 37 0A 0 88,-0.3 90,-2.7 -48,-0.2 91,-0.9 -0.963 14.7-163.3-124.5 127.7 -1.5 59.8 15.8 85 85 A I E -cd 38 175A 0 -48,-3.0 -46,-2.6 -2,-0.5 2,-0.3 -0.942 13.2-136.7-118.7 147.6 -1.8 60.0 19.6 86 86 A A E -cd 39 176A 5 89,-2.4 91,-3.0 -2,-0.4 2,-0.8 -0.764 12.4-122.9-108.9 144.2 -3.0 63.1 21.4 87 87 A D E - d 0 177A 8 -48,-0.6 2,-0.8 -2,-0.3 -45,-0.4 -0.736 29.6-162.1 -85.7 108.5 -1.8 65.0 24.5 88 88 A I E - d 0 178A 1 89,-3.0 91,-2.3 -2,-0.8 2,-0.9 -0.879 8.7-174.7 -95.6 109.1 -4.9 65.0 26.7 89 89 A V + 0 0 6 -2,-0.8 91,-0.1 89,-0.2 89,-0.1 -0.914 30.0 137.8-105.5 100.0 -4.4 67.7 29.3 90 90 A I + 0 0 6 -2,-0.9 59,-0.2 89,-0.4 -1,-0.1 0.256 42.1 87.9-128.6 10.7 -7.5 67.2 31.5 91 91 A N S S+ 0 0 0 88,-0.2 58,-1.8 1,-0.2 2,-0.3 0.888 105.0 9.6 -70.5 -34.3 -6.2 67.5 35.0 92 92 A H B -J 148 0C 2 56,-0.3 2,-0.3 50,-0.1 56,-0.2 -0.889 65.4-169.1-141.6 160.7 -6.7 71.2 34.9 93 93 A R - 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