==== 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 29-SEP-05 2D3L . COMPND 2 MOLECULE: GLUCAN 1,4-ALPHA-MALTOHEXAOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR R.KANAI,K.HAGA,T.AKIBA,K.YAMANE,K.HARATA . 481 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 3 0.6 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 . 43 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 1 0 0 0 1 1 1 0 2 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 2 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 . 3 6 1 2 0 4 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 . 2 0 0 0 1 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 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 5 A T 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.7 47.5 -34.0 36.7 2 6 A N + 0 0 30 354,-0.1 2,-0.2 1,-0.1 357,-0.1 0.934 360.0 177.1 48.0 62.6 44.0 -32.4 37.0 3 7 A G - 0 0 21 33,-0.1 2,-0.4 32,-0.0 -1,-0.1 -0.545 16.3-152.8 -90.5 161.1 42.3 -35.0 39.2 4 8 A T - 0 0 4 -2,-0.2 32,-2.6 30,-0.1 33,-1.3 -0.979 4.5-153.3-139.9 123.3 38.8 -34.7 40.5 5 9 A M E -ab 37 361A 0 355,-2.7 357,-2.5 -2,-0.4 2,-0.4 -0.638 6.1-158.3 -94.2 149.3 37.5 -36.1 43.8 6 10 A M E -ab 38 362A 1 31,-2.0 33,-2.8 355,-0.3 2,-0.9 -0.978 15.6-141.9-134.9 123.6 33.9 -37.1 44.4 7 11 A Q E -ab 39 363A 3 355,-1.6 357,-1.6 -2,-0.4 2,-1.3 -0.727 22.9-152.1 -77.3 110.2 32.1 -37.5 47.8 8 12 A Y + 0 0 5 31,-2.3 2,-0.3 -2,-0.9 -1,-0.1 -0.299 60.2 43.8 -88.8 56.5 30.0 -40.5 47.0 9 13 A F - 0 0 0 -2,-1.3 356,-0.5 31,-0.1 355,-0.4 -0.950 56.0-147.9-179.7 163.1 27.0 -40.0 49.3 10 14 A E > - 0 0 3 -2,-0.3 3,-1.3 354,-0.2 318,-0.1 -0.941 35.9-108.2-138.3 156.8 24.6 -37.6 50.9 11 15 A W T 3 S+ 0 0 70 -2,-0.3 -1,-0.1 1,-0.3 317,-0.0 0.864 112.7 49.1 -57.4 -40.1 23.0 -37.6 54.3 12 16 A Y T 3 S+ 0 0 56 -3,-0.0 -1,-0.3 2,-0.0 360,-0.1 0.049 73.0 139.7 -94.4 28.4 19.5 -38.6 53.3 13 17 A L < - 0 0 13 -3,-1.3 2,-0.1 1,-0.1 357,-0.0 -0.350 64.7 -93.9 -63.6 150.1 20.4 -41.5 51.1 14 18 A P - 0 0 77 0, 0.0 2,-2.2 0, 0.0 3,-0.3 -0.464 25.3-122.9 -72.1 141.7 17.9 -44.4 51.7 15 19 A N S S+ 0 0 51 1,-0.2 60,-0.1 -2,-0.1 35,-0.1 -0.485 73.5 121.4 -80.4 69.3 18.7 -47.0 54.2 16 20 A D S S- 0 0 70 -2,-2.2 -1,-0.2 58,-0.2 59,-0.1 0.289 72.7-128.4-114.1 5.9 18.3 -49.8 51.6 17 21 A G S S+ 0 0 3 57,-1.7 60,-0.3 -3,-0.3 58,-0.2 0.723 81.8 106.0 53.5 26.1 21.8 -51.3 51.9 18 22 A N > + 0 0 69 -4,-0.3 4,-1.6 56,-0.3 58,-0.2 0.136 40.9 101.8-119.8 21.1 22.4 -51.1 48.2 19 23 A H H > S+ 0 0 1 56,-0.6 4,-2.6 55,-0.3 5,-0.2 0.887 77.1 55.4 -72.5 -40.5 24.8 -48.1 48.0 20 24 A W H > S+ 0 0 0 55,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.880 109.6 50.1 -60.2 -35.0 27.9 -50.1 47.5 21 25 A N H > S+ 0 0 42 54,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.893 107.2 52.2 -70.9 -38.5 26.2 -51.7 44.5 22 26 A R H X S+ 0 0 64 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.944 113.1 45.2 -60.8 -45.5 25.2 -48.3 43.1 23 27 A L H >X S+ 0 0 1 -4,-2.6 4,-0.7 1,-0.2 3,-0.7 0.898 109.8 57.3 -62.7 -41.2 28.9 -47.2 43.4 24 28 A N H >< S+ 0 0 50 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.948 112.7 38.0 -53.6 -55.8 30.0 -50.6 41.9 25 29 A S H 3< S+ 0 0 101 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.486 111.8 58.7 -79.8 -3.0 27.9 -50.1 38.7 26 30 A D H S+ 0 0 79 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.917 114.2 49.4 -57.4 -45.5 32.7 -46.8 34.5 29 33 A N H > S+ 0 0 42 -4,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.926 111.0 48.4 -60.1 -49.4 30.4 -43.8 34.1 30 34 A L H X>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 4,-0.5 0.900 109.5 51.1 -60.4 -45.7 32.3 -41.7 36.7 31 35 A K H ><5S+ 0 0 82 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.858 110.1 50.4 -62.6 -34.9 35.8 -42.4 35.3 32 36 A S H 3<5S+ 0 0 73 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.830 106.4 56.5 -72.6 -29.3 34.5 -41.4 31.8 33 37 A K H 3<5S- 0 0 59 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.533 127.8 -95.2 -77.9 -8.1 33.1 -38.2 33.3 34 38 A G T <<5S+ 0 0 6 -3,-0.8 2,-0.5 -4,-0.5 -3,-0.2 0.589 76.6 141.6 105.4 11.1 36.4 -37.1 34.7 35 39 A I < + 0 0 2 -5,-2.5 -1,-0.3 -6,-0.1 -30,-0.2 -0.767 18.2 172.0 -88.0 127.6 36.2 -38.4 38.3 36 40 A T + 0 0 39 -32,-2.6 58,-2.2 -2,-0.5 2,-0.3 0.468 63.0 32.1-114.0 -4.7 39.6 -39.9 39.4 37 41 A A E -ac 5 94A 0 -33,-1.3 -31,-2.0 56,-0.2 2,-0.5 -0.970 60.6-155.1-156.0 136.8 38.9 -40.5 43.1 38 42 A V E -ac 6 95A 0 56,-2.3 58,-3.1 -2,-0.3 2,-0.8 -0.957 6.4-154.4-116.9 129.0 35.9 -41.5 45.2 39 43 A W E -ac 7 96A 3 -33,-2.8 -31,-2.3 -2,-0.5 58,-0.2 -0.904 24.0-151.9-100.2 109.4 35.6 -40.7 48.9 40 44 A I E - c 0 97A 1 56,-2.1 58,-0.5 -2,-0.8 3,-0.1 -0.449 16.2-105.7 -83.1 155.5 33.2 -43.4 50.2 41 45 A P - 0 0 0 0, 0.0 57,-0.3 0, 0.0 -1,-0.1 -0.225 65.6 -54.8 -71.4 168.3 30.9 -42.9 53.3 42 46 A P - 0 0 1 0, 0.0 33,-0.2 0, 0.0 4,-0.1 -0.193 51.2-162.2 -45.9 126.1 31.8 -44.6 56.6 43 47 A A + 0 0 0 55,-0.2 2,-0.1 -3,-0.1 30,-0.1 0.577 59.9 83.5 -90.4 -9.6 32.2 -48.2 55.7 44 48 A W S S- 0 0 2 18,-0.2 2,-0.3 9,-0.1 18,-0.3 -0.379 90.7 -78.9 -94.8 170.2 31.9 -49.5 59.4 45 49 A K E -I 58 0B 0 16,-2.2 13,-1.9 13,-1.0 12,-1.9 -0.495 46.6-160.8 -71.7 123.7 29.0 -50.3 61.7 46 50 A G E -I 56 0B 4 2,-0.5 10,-0.2 -2,-0.3 -1,-0.1 -0.115 44.3 -77.2 -90.6-167.1 27.3 -47.2 63.3 47 51 A A S S+ 0 0 31 8,-0.8 2,-0.3 10,-0.1 9,-0.1 0.648 115.8 0.1 -68.3 -13.8 25.1 -47.0 66.3 48 52 A S S > S- 0 0 42 7,-0.1 3,-1.0 1,-0.1 -2,-0.5 -0.952 84.6 -92.3-160.9 173.8 22.3 -48.4 64.2 49 53 A Q T 3 S+ 0 0 60 19,-0.4 -32,-0.1 -2,-0.3 -3,-0.1 0.836 121.8 45.4 -65.6 -37.2 21.6 -49.6 60.6 50 54 A N T 3 S+ 0 0 102 23,-0.1 2,-0.2 24,-0.1 -1,-0.2 0.269 82.9 123.7 -93.6 14.9 20.4 -46.2 59.3 51 55 A D < - 0 0 30 -3,-1.0 23,-0.5 1,-0.1 -5,-0.2 -0.560 67.2-133.3 -73.3 135.4 23.3 -44.3 60.8 52 56 A V - 0 0 5 -2,-0.2 -1,-0.1 1,-0.1 23,-0.1 0.737 53.4 -99.3 -61.2 -21.9 25.2 -42.4 58.2 53 57 A G S S+ 0 0 3 -12,-0.1 -9,-0.1 -5,-0.1 4,-0.1 0.129 104.0 98.5 125.3 -20.2 28.3 -43.8 59.8 54 58 A Y + 0 0 17 1,-0.3 2,-1.5 2,-0.1 49,-0.1 0.628 67.7 76.6 -75.3 -13.0 29.5 -40.9 62.0 55 59 A G S S- 0 0 3 -7,-0.1 -8,-0.8 49,-0.1 -1,-0.3 -0.464 87.0-163.3 -90.4 59.2 27.9 -42.5 65.0 56 60 A A E +I 46 0B 0 -2,-1.5 49,-2.4 -10,-0.2 -10,-0.2 -0.277 27.1 161.2 -53.3 111.5 30.9 -44.8 64.8 57 61 A Y E + 0 0 2 -12,-1.9 2,-0.4 1,-0.2 -11,-0.2 0.874 69.0 6.8 -97.5 -55.7 30.3 -47.9 66.9 58 62 A D E > -I 45 0B 1 -13,-1.9 3,-1.4 3,-0.2 -13,-1.0 -0.913 51.8-166.9-139.0 110.6 32.8 -50.5 65.6 59 63 A L T 3 S+ 0 0 10 -2,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.518 91.3 56.9 -72.5 -5.5 35.6 -49.7 63.0 60 64 A Y T 3 S+ 0 0 13 1,-0.1 2,-0.8 -15,-0.1 -1,-0.3 0.355 88.4 81.6-105.1 1.7 36.3 -53.4 62.4 61 65 A D < + 0 0 0 -3,-1.4 -16,-2.2 -16,-0.1 2,-0.5 -0.853 50.9 172.5-112.1 93.4 32.7 -54.2 61.4 62 66 A L S S- 0 0 0 -2,-0.8 19,-0.2 -18,-0.3 -18,-0.2 -0.310 81.6 -59.6 -94.4 46.2 32.4 -53.2 57.7 63 67 A G S S+ 0 0 2 -2,-0.5 15,-1.7 9,-0.2 16,-0.3 0.804 118.5 107.0 79.5 32.0 29.0 -54.7 57.3 64 68 A E + 0 0 70 13,-0.2 2,-0.3 14,-0.1 8,-0.1 0.623 63.1 60.7-114.0 -22.4 30.3 -58.2 58.2 65 69 A F S S- 0 0 22 6,-0.4 2,-1.2 5,-0.1 5,-0.1 -0.863 80.8-114.0-118.2 148.4 29.0 -58.8 61.8 66 70 A N + 0 0 113 77,-0.4 2,-0.3 -2,-0.3 5,-0.3 -0.624 64.5 134.8 -74.7 98.8 25.5 -59.1 63.3 67 71 A Q B > +J 70 0C 6 3,-2.6 3,-0.7 -2,-1.2 -2,-0.1 -0.981 55.3 17.1-153.4 139.5 25.6 -56.0 65.6 68 72 A K T 3 S- 0 0 69 -2,-0.3 -19,-0.4 1,-0.2 3,-0.1 0.683 132.2 -57.0 73.3 20.7 23.2 -53.2 66.5 69 73 A G T 3 S+ 0 0 77 1,-0.2 2,-0.3 -21,-0.1 -1,-0.2 0.544 123.7 64.0 89.6 9.0 20.4 -55.2 65.0 70 74 A T B < -J 67 0C 15 -3,-0.7 -3,-2.6 -5,-0.1 -1,-0.2 -0.990 59.6-148.6-157.9 160.2 21.9 -55.7 61.5 71 75 A V S S+ 0 0 61 -2,-0.3 -6,-0.4 -5,-0.3 -8,-0.1 0.854 85.3 57.4 -96.0 -53.9 24.8 -57.2 59.6 72 76 A R S S- 0 0 52 -8,-0.1 5,-0.2 1,-0.1 -9,-0.2 -0.137 82.8-123.5 -70.8 169.4 25.1 -54.7 56.8 73 77 A T - 0 0 4 3,-3.0 3,-0.4 -11,-0.2 -24,-0.1 -0.330 46.7 -82.5 -97.7-172.6 25.7 -51.0 57.3 74 78 A K S S+ 0 0 12 -23,-0.5 -57,-1.7 1,-0.2 -56,-0.3 0.885 134.6 44.8 -60.2 -33.9 23.3 -48.4 55.8 75 79 A Y S S- 0 0 3 -33,-0.2 -55,-2.1 1,-0.2 -56,-0.6 0.598 120.6 -89.2 -87.4 -15.8 25.3 -48.9 52.6 76 80 A G - 0 0 0 -3,-0.4 -3,-3.0 -57,-0.2 -1,-0.2 -0.933 54.5 -37.2 142.4-166.5 25.5 -52.7 52.4 77 81 A T > - 0 0 41 -2,-0.3 4,-2.0 -60,-0.3 -13,-0.2 -0.459 54.8-105.9 -92.0 168.2 27.6 -55.7 53.4 78 82 A R H > S+ 0 0 51 -15,-1.7 4,-2.4 1,-0.2 5,-0.2 0.862 119.5 52.1 -61.7 -37.5 31.4 -56.0 53.5 79 83 A S H > S+ 0 0 83 -16,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.860 108.5 50.0 -68.7 -36.2 31.5 -58.1 50.3 80 84 A Q H > S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.915 111.0 50.8 -67.1 -40.7 29.4 -55.6 48.3 81 85 A L H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.936 111.9 45.5 -60.2 -50.3 31.8 -52.9 49.5 82 86 A Q H X S+ 0 0 60 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.807 109.9 54.3 -67.0 -27.9 34.8 -54.8 48.4 83 87 A A H X S+ 0 0 41 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.834 109.1 51.1 -72.1 -30.3 33.2 -55.6 45.1 84 88 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.954 108.4 48.8 -69.2 -50.9 32.7 -51.8 44.8 85 89 A V H X S+ 0 0 10 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.920 110.2 52.5 -54.5 -46.8 36.3 -51.0 45.5 86 90 A T H X S+ 0 0 75 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.929 107.9 51.4 -55.0 -48.1 37.4 -53.6 42.9 87 91 A S H X S+ 0 0 18 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.895 112.3 45.7 -57.9 -41.5 35.1 -52.0 40.3 88 92 A L H <>S+ 0 0 0 -4,-2.2 5,-3.2 2,-0.2 -1,-0.2 0.900 112.3 51.3 -69.4 -39.7 36.7 -48.6 41.0 89 93 A K H ><5S+ 0 0 73 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.900 108.0 52.3 -63.5 -40.8 40.2 -50.0 41.0 90 94 A N H 3<5S+ 0 0 128 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.809 108.3 50.8 -66.2 -30.0 39.6 -51.6 37.6 91 95 A N T 3<5S- 0 0 49 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.169 122.4-108.1 -92.2 16.4 38.4 -48.4 36.2 92 96 A G T < 5S+ 0 0 48 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.789 71.7 142.5 63.9 31.8 41.5 -46.7 37.5 93 97 A I < - 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