==== 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 2D3N . 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) . 17335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 67.2 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 . 71 14.8 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 . 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 . 39 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 1 1 0 0 0 1 1 0 1 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 . 4 6 1 2 1 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 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 0 132 0, 0.0 2,-0.3 0, 0.0 389,-0.1 0.000 360.0 360.0 360.0 -44.6 45.7 -35.2 33.9 2 6 A N - 0 0 29 387,-0.3 2,-0.3 388,-0.3 357,-0.0 -0.499 360.0-136.4 -67.0 127.9 43.6 -32.9 36.2 3 7 A G - 0 0 23 -2,-0.3 2,-0.3 32,-0.1 32,-0.1 -0.627 22.7-177.6 -89.5 147.5 42.4 -34.9 39.2 4 8 A T - 0 0 1 -2,-0.3 32,-2.5 30,-0.2 33,-1.4 -0.962 8.4-157.9-144.7 122.5 38.8 -34.6 40.6 5 9 A M E -ab 37 361A 0 355,-2.4 357,-2.3 -2,-0.3 2,-0.4 -0.592 5.4-150.8 -98.7 163.6 37.4 -36.4 43.6 6 10 A M E -ab 38 362A 1 31,-1.6 33,-2.8 355,-0.3 2,-1.0 -0.994 15.5-136.6-136.9 130.0 33.8 -37.2 44.4 7 11 A Q E -ab 39 363A 3 355,-2.3 357,-1.9 -2,-0.4 2,-1.4 -0.761 25.6-154.5 -81.2 106.7 32.0 -37.5 47.7 8 12 A Y + 0 0 6 31,-2.4 2,-0.3 -2,-1.0 -1,-0.1 -0.280 60.7 43.9 -86.3 54.7 29.9 -40.6 46.8 9 13 A F - 0 0 0 -2,-1.4 356,-0.5 31,-0.1 355,-0.4 -0.956 56.8-151.8-177.1 164.7 27.1 -40.1 49.3 10 14 A E > - 0 0 4 -2,-0.3 3,-1.1 354,-0.2 318,-0.1 -0.914 36.7-104.0-141.9 163.4 24.6 -37.6 50.8 11 15 A W T 3 S+ 0 0 69 -2,-0.3 -1,-0.1 1,-0.2 317,-0.1 0.884 111.9 48.7 -61.0 -42.9 22.9 -37.6 54.2 12 16 A Y T 3 S+ 0 0 70 -3,-0.0 -1,-0.2 3,-0.0 360,-0.1 0.104 72.2 141.6 -91.1 23.8 19.4 -38.7 53.2 13 17 A L < - 0 0 11 -3,-1.1 2,-0.1 1,-0.1 357,-0.0 -0.292 63.2 -94.1 -59.2 149.3 20.3 -41.7 51.0 14 18 A P - 0 0 79 0, 0.0 2,-1.8 0, 0.0 3,-0.3 -0.366 27.0-122.1 -67.4 145.4 17.7 -44.5 51.5 15 19 A N S S+ 0 0 59 1,-0.2 60,-0.1 2,-0.1 35,-0.1 -0.506 72.6 123.5 -86.7 69.2 18.6 -47.2 54.0 16 20 A D S S- 0 0 69 -2,-1.8 -1,-0.2 58,-0.2 59,-0.1 0.357 72.7-126.4-110.1 1.7 18.3 -50.0 51.4 17 21 A G S S+ 0 0 6 57,-1.6 60,-0.3 -3,-0.3 58,-0.2 0.792 83.8 104.6 57.2 30.1 21.8 -51.5 51.8 18 22 A N > + 0 0 68 56,-0.3 4,-1.6 -4,-0.3 58,-0.1 0.235 40.5 98.8-124.0 13.6 22.4 -51.1 48.0 19 23 A H H > S+ 0 0 1 56,-0.4 4,-2.6 55,-0.3 5,-0.2 0.902 81.1 53.8 -70.1 -40.7 24.8 -48.1 47.9 20 24 A W H > S+ 0 0 0 55,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.913 110.5 49.5 -59.4 -39.1 27.9 -50.2 47.5 21 25 A N H > S+ 0 0 48 54,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.864 108.4 52.8 -67.4 -35.0 26.2 -51.9 44.5 22 26 A R H X S+ 0 0 60 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.934 111.4 45.5 -64.9 -45.1 25.3 -48.5 43.1 23 27 A L H >X S+ 0 0 1 -4,-2.6 4,-0.7 1,-0.2 3,-0.5 0.899 108.6 59.4 -63.3 -41.2 28.9 -47.3 43.3 24 28 A N H >< S+ 0 0 47 -4,-2.3 3,-0.8 1,-0.2 4,-0.3 0.937 111.7 36.8 -51.6 -56.0 30.1 -50.6 41.8 25 29 A S H 3< S+ 0 0 94 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.565 112.4 59.5 -78.4 -8.6 28.1 -50.2 38.6 26 30 A D H S+ 0 0 68 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.904 113.8 52.1 -62.2 -40.0 33.0 -46.8 34.5 29 33 A N H > S+ 0 0 45 -4,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.932 108.9 50.0 -61.1 -46.6 30.6 -43.9 34.1 30 34 A L H X>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-0.6 0.914 110.7 49.1 -59.4 -44.9 32.4 -41.9 36.8 31 35 A K H ><5S+ 0 0 79 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.904 109.6 52.2 -62.5 -40.8 35.8 -42.5 35.1 32 36 A S H 3<5S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.764 107.3 53.3 -67.0 -25.4 34.4 -41.4 31.7 33 37 A K H 3<5S- 0 0 75 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.526 127.2 -95.0 -87.8 -6.3 33.1 -38.2 33.2 34 38 A G T <<5S+ 0 0 1 -3,-1.1 2,-0.4 -4,-0.6 -30,-0.2 0.441 74.9 143.0 110.0 -0.7 36.5 -37.2 34.7 35 39 A I < + 0 0 2 -5,-2.4 -1,-0.3 -6,-0.2 -30,-0.2 -0.628 16.7 171.5 -76.4 125.8 36.2 -38.5 38.3 36 40 A T + 0 0 29 -32,-2.5 58,-2.4 -2,-0.4 2,-0.3 0.510 62.2 30.7-112.1 -10.1 39.6 -39.9 39.3 37 41 A A E -ac 5 94A 0 -33,-1.4 -31,-1.6 56,-0.2 2,-0.5 -0.991 62.8-153.3-151.2 142.8 39.0 -40.5 43.1 38 42 A V E -ac 6 95A 0 56,-2.7 58,-3.0 -2,-0.3 2,-0.7 -0.970 6.0-153.3-124.4 128.0 36.1 -41.5 45.2 39 43 A W E -ac 7 96A 3 -33,-2.8 -31,-2.4 -2,-0.5 58,-0.2 -0.875 23.5-154.4 -96.3 114.7 35.5 -40.7 48.9 40 44 A I E - c 0 97A 1 56,-2.3 58,-0.6 -2,-0.7 3,-0.1 -0.604 19.3-104.3 -90.3 151.6 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 -0.175 63.8 -58.5 -67.0 167.3 30.9 -43.0 53.2 42 46 A P - 0 0 0 0, 0.0 33,-0.2 0, 0.0 4,-0.1 -0.235 51.7-160.8 -46.4 130.4 31.8 -44.5 56.6 43 47 A A + 0 0 0 55,-0.2 30,-0.1 -3,-0.1 2,-0.1 0.540 57.8 84.4 -96.4 -7.5 32.2 -48.3 55.8 44 48 A W S S- 0 0 3 18,-0.1 2,-0.3 1,-0.1 18,-0.2 -0.324 90.5 -75.9 -93.3 174.0 31.8 -49.6 59.4 45 49 A K E -I 58 0B 0 16,-1.6 12,-2.1 13,-1.2 13,-1.7 -0.510 47.8-160.5 -72.9 126.9 28.9 -50.4 61.7 46 50 A G E -I 56 0B 4 2,-0.5 10,-0.2 -2,-0.3 -1,-0.1 -0.191 43.7 -78.2 -93.7-168.8 27.2 -47.4 63.2 47 51 A A S S+ 0 0 30 8,-0.7 2,-0.3 -2,-0.1 9,-0.1 0.643 115.7 1.7 -66.9 -14.3 24.9 -47.1 66.3 48 52 A S S > S- 0 0 44 7,-0.1 3,-1.2 1,-0.1 -2,-0.5 -0.951 85.8 -93.3-159.9 172.3 22.1 -48.5 64.1 49 53 A Q T 3 S+ 0 0 60 19,-0.4 -32,-0.1 -2,-0.3 -3,-0.1 0.886 122.3 47.2 -63.8 -39.4 21.5 -49.8 60.6 50 54 A N T 3 S+ 0 0 98 23,-0.1 -1,-0.2 24,-0.1 2,-0.2 0.290 81.7 124.4 -88.0 12.5 20.4 -46.4 59.2 51 55 A D < - 0 0 31 -3,-1.2 23,-0.4 1,-0.2 -5,-0.2 -0.502 66.3-133.7 -70.9 138.2 23.2 -44.5 60.8 52 56 A V - 0 0 6 -2,-0.2 -1,-0.2 1,-0.1 23,-0.1 0.762 54.1 -99.7 -64.5 -21.4 25.1 -42.5 58.1 53 57 A G S S+ 0 0 2 -12,-0.1 -9,-0.1 -10,-0.1 4,-0.1 0.140 103.5 98.8 126.0 -19.9 28.3 -43.9 59.8 54 58 A Y + 0 0 22 1,-0.3 2,-1.1 2,-0.1 49,-0.1 0.597 68.5 75.7 -76.4 -10.3 29.5 -41.1 62.0 55 59 A G S S- 0 0 3 -7,-0.1 -8,-0.7 49,-0.1 -1,-0.3 -0.444 87.3-164.2 -93.4 55.7 27.8 -42.6 65.0 56 60 A A E +I 46 0B 1 -2,-1.1 49,-2.2 -10,-0.2 -10,-0.2 -0.253 26.9 161.2 -51.6 110.7 30.8 -45.0 64.8 57 61 A Y E + 0 0 2 -12,-2.1 2,-0.4 1,-0.2 -11,-0.2 0.891 69.0 10.1 -96.5 -57.3 30.3 -48.1 66.8 58 62 A D E > -I 45 0B 1 -13,-1.7 3,-1.6 3,-0.2 -13,-1.2 -0.893 52.3-169.1-134.8 106.1 32.8 -50.7 65.5 59 63 A L T 3 S+ 0 0 11 -2,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.591 91.3 55.2 -66.9 -11.5 35.5 -49.8 63.0 60 64 A Y T 3 S+ 0 0 14 1,-0.1 2,-0.8 -15,-0.1 -1,-0.3 0.367 89.5 82.6-101.6 1.6 36.3 -53.5 62.4 61 65 A D < + 0 0 0 -3,-1.6 -16,-1.6 -16,-0.1 2,-0.4 -0.831 51.0 173.3-109.9 91.6 32.8 -54.3 61.4 62 66 A L S S- 0 0 0 -2,-0.8 19,-0.2 -18,-0.2 11,-0.2 -0.190 80.8 -59.8 -91.6 42.6 32.4 -53.3 57.7 63 67 A G S S+ 0 0 2 -2,-0.4 15,-2.0 9,-0.2 16,-0.3 0.854 117.6 107.3 82.2 39.1 29.0 -54.8 57.4 64 68 A E + 0 0 69 13,-0.2 2,-0.3 14,-0.1 8,-0.1 0.648 62.8 56.7-119.1 -28.3 30.3 -58.3 58.3 65 69 A F S S- 0 0 23 6,-0.4 2,-1.5 5,-0.1 79,-0.1 -0.772 82.6-109.5-114.0 156.4 29.0 -59.1 61.8 66 70 A N + 0 0 113 77,-0.5 2,-0.3 -2,-0.3 5,-0.2 -0.638 64.7 137.5 -81.8 89.2 25.6 -59.2 63.4 67 71 A Q B > +J 70 0C 4 3,-2.0 3,-0.7 -2,-1.5 -9,-0.1 -0.996 57.4 14.7-138.5 144.0 25.8 -56.1 65.6 68 72 A K T 3 S- 0 0 70 -2,-0.3 -19,-0.4 1,-0.2 -1,-0.1 0.804 131.4 -58.2 65.7 31.3 23.3 -53.3 66.5 69 73 A G T 3 S+ 0 0 75 1,-0.1 2,-0.3 -21,-0.1 -1,-0.2 0.664 122.7 71.8 75.6 18.5 20.5 -55.4 65.0 70 74 A T B < -J 67 0C 11 -3,-0.7 -3,-2.0 1,-0.1 -1,-0.1 -0.989 56.9-155.8-161.2 150.5 22.0 -55.7 61.5 71 75 A V S S+ 0 0 65 -2,-0.3 -6,-0.4 -5,-0.2 -1,-0.1 0.881 86.1 57.2 -90.5 -54.2 24.7 -57.5 59.6 72 76 A R S S- 0 0 53 -8,-0.1 5,-0.2 1,-0.1 -9,-0.2 -0.263 82.1-128.1 -73.3 160.2 25.0 -54.9 56.8 73 77 A T B > -K 76 0D 5 3,-2.5 3,-0.5 -11,-0.2 -24,-0.1 -0.299 46.8 -83.2 -91.4-174.1 25.6 -51.2 57.3 74 78 A K T 3 S+ 0 0 11 -23,-0.4 -57,-1.6 1,-0.2 -56,-0.3 0.839 133.0 46.5 -60.6 -30.5 23.3 -48.7 55.7 75 79 A Y T 3 S- 0 0 4 1,-0.3 -55,-2.2 -58,-0.2 -54,-0.4 0.628 120.2 -89.9 -89.3 -16.7 25.3 -49.1 52.5 76 80 A G B < -K 73 0D 0 -3,-0.5 -3,-2.5 -57,-0.2 -1,-0.3 -0.908 55.0 -38.2 139.9-168.0 25.5 -52.8 52.3 77 81 A T > - 0 0 40 -60,-0.3 4,-1.9 -2,-0.3 -13,-0.2 -0.401 53.1-106.8 -90.9 169.0 27.7 -55.8 53.3 78 82 A R H > S+ 0 0 54 -15,-2.0 4,-2.7 1,-0.2 5,-0.2 0.895 120.1 53.0 -62.0 -40.0 31.4 -56.1 53.4 79 83 A S H > S+ 0 0 85 -16,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.877 108.7 49.3 -64.5 -36.9 31.5 -58.3 50.3 80 84 A Q H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.867 111.2 50.6 -68.9 -36.1 29.5 -55.7 48.4 81 85 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.933 110.2 48.5 -65.6 -46.8 31.9 -53.0 49.5 82 86 A Q H X S+ 0 0 56 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.862 110.5 52.4 -62.0 -35.7 34.9 -55.1 48.4 83 87 A A H X S+ 0 0 41 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.873 109.3 49.3 -68.2 -36.6 33.2 -55.7 45.1 84 88 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.907 110.0 51.1 -68.2 -42.0 32.6 -51.9 44.7 85 89 A V H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.934 109.6 49.6 -60.6 -47.6 36.3 -51.2 45.5 86 90 A T H X S+ 0 0 76 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.894 108.8 53.6 -58.7 -41.5 37.5 -53.7 43.0 87 91 A S H X S+ 0 0 18 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.898 110.3 47.0 -60.7 -41.8 35.2 -52.1 40.3 88 92 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.9 1,-0.2 3,-0.8 0.923 112.3 49.3 -66.1 -44.9 36.7 -48.7 41.1 89 93 A K H ><5S+ 0 0 71 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.874 107.6 55.0 -61.4 -39.6 40.3 -50.0 40.9 90 94 A N H 3<5S+ 0 0 125 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.690 108.8 49.0 -68.6 -18.8 39.6 -51.8 37.6 91 95 A N T <<5S- 0 0 49 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.157 121.7-105.6-105.4 16.4 38.4 -48.5 36.2 92 96 A G T < 5S+ 0 0 47 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.779 72.9 141.5 67.3 29.1 41.5 -46.6 37.4 93 97 A I < - 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