==== 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 31-AUG-04 1WP6 . 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) . 17244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 66.3 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 . 67 13.9 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 . 1 0.2 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 . 42 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 19.8 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 . 2 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 0 140 0, 0.0 393,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.3 47.6 -33.5 37.1 2 6 A N + 0 0 25 354,-0.2 2,-0.1 1,-0.1 391,-0.1 0.835 360.0 169.6 55.4 40.3 44.0 -32.3 37.2 3 7 A G - 0 0 20 33,-0.1 2,-0.4 32,-0.1 -1,-0.1 -0.389 18.9-152.0 -75.2 159.8 42.7 -35.1 39.3 4 8 A T - 0 0 3 30,-0.2 32,-2.6 355,-0.1 33,-1.5 -0.989 2.2-152.3-140.9 130.3 39.1 -34.8 40.6 5 9 A M E -ab 37 361A 0 355,-2.7 357,-2.6 -2,-0.4 2,-0.4 -0.666 4.9-157.9 -99.5 150.8 37.7 -36.3 43.8 6 10 A M E -ab 38 362A 1 31,-1.9 33,-2.7 355,-0.3 2,-1.0 -0.979 15.5-142.1-134.6 124.4 34.1 -37.3 44.5 7 11 A Q E -ab 39 363A 1 355,-2.2 357,-1.9 -2,-0.4 2,-1.6 -0.744 23.0-153.0 -79.1 106.0 32.4 -37.6 47.9 8 12 A Y + 0 0 5 31,-2.4 2,-0.3 -2,-1.0 -1,-0.1 -0.306 61.0 43.5 -84.4 56.7 30.2 -40.6 47.0 9 13 A F - 0 0 0 -2,-1.6 356,-0.5 31,-0.1 355,-0.4 -0.938 56.6-149.0 178.1 161.1 27.4 -40.1 49.5 10 14 A E > - 0 0 3 -2,-0.3 3,-1.4 354,-0.2 318,-0.1 -0.950 36.5-106.1-139.4 155.7 25.0 -37.6 51.1 11 15 A W T 3 S+ 0 0 80 -2,-0.3 -1,-0.1 1,-0.2 317,-0.0 0.842 112.2 47.6 -53.6 -42.6 23.4 -37.6 54.5 12 16 A Y T 3 S+ 0 0 61 -3,-0.0 -1,-0.2 40,-0.0 360,-0.1 0.064 74.8 144.2 -94.5 27.5 19.9 -38.6 53.6 13 17 A L < - 0 0 12 -3,-1.4 2,-0.1 1,-0.1 357,-0.0 -0.231 61.3 -91.6 -59.0 152.5 20.7 -41.6 51.4 14 18 A P - 0 0 76 0, 0.0 2,-1.5 0, 0.0 3,-0.3 -0.401 26.7-126.9 -69.7 145.4 18.2 -44.5 51.7 15 19 A N S S+ 0 0 53 1,-0.2 60,-0.1 -3,-0.1 35,-0.0 -0.506 70.7 121.4 -90.6 67.1 18.9 -47.2 54.2 16 20 A D S S- 0 0 72 -2,-1.5 -1,-0.2 58,-0.2 59,-0.1 0.353 74.7-125.6-108.8 1.2 18.5 -50.0 51.6 17 21 A G S S+ 0 0 5 57,-1.5 60,-0.3 -3,-0.3 58,-0.2 0.689 84.3 106.3 62.0 18.9 22.0 -51.5 51.9 18 22 A N > + 0 0 69 56,-0.2 4,-1.8 -4,-0.2 58,-0.1 0.267 41.1 98.8-111.9 11.7 22.5 -51.1 48.2 19 23 A H H > S+ 0 0 1 55,-0.3 4,-2.4 56,-0.3 5,-0.2 0.882 80.3 52.9 -68.3 -39.8 24.9 -48.2 48.1 20 24 A W H > S+ 0 0 0 55,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.916 110.4 49.8 -61.9 -39.8 28.1 -50.2 47.7 21 25 A N H > S+ 0 0 50 54,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.900 108.0 53.9 -64.6 -38.1 26.5 -51.9 44.7 22 26 A R H X S+ 0 0 54 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.931 111.0 44.8 -59.9 -46.1 25.5 -48.5 43.3 23 27 A L H X S+ 0 0 1 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.889 109.9 57.1 -64.3 -40.6 29.2 -47.4 43.5 24 28 A N H >< S+ 0 0 48 -4,-2.5 3,-0.8 1,-0.2 4,-0.3 0.953 112.4 39.5 -54.0 -55.1 30.3 -50.7 42.0 25 29 A S H 3< S+ 0 0 93 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.673 112.9 56.3 -72.3 -18.5 28.1 -50.2 38.9 26 30 A D H 3X S+ 0 0 17 -4,-1.3 4,-2.5 -5,-0.2 3,-0.4 0.611 80.5 95.2 -90.2 -10.7 28.9 -46.5 38.6 27 31 A A H S+ 0 0 72 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.828 114.7 52.0 -61.9 -31.7 33.2 -46.9 34.7 29 33 A N H > S+ 0 0 43 -3,-0.4 4,-1.8 -4,-0.3 -1,-0.2 0.920 108.3 49.6 -69.7 -44.7 30.8 -44.0 34.3 30 34 A L H X>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.6 0.896 110.2 51.7 -61.0 -41.1 32.6 -41.9 36.9 31 35 A K H ><5S+ 0 0 82 -4,-2.2 3,-0.9 -5,-0.2 -1,-0.2 0.894 108.6 50.4 -64.1 -40.1 35.9 -42.5 35.2 32 36 A S H 3<5S+ 0 0 72 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.837 107.3 55.1 -67.5 -31.5 34.6 -41.4 31.9 33 37 A K H 3<5S- 0 0 54 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.567 127.2 -96.1 -78.2 -9.0 33.2 -38.2 33.4 34 38 A G T <<5S+ 0 0 9 -3,-0.9 2,-0.4 -4,-0.6 -3,-0.2 0.475 73.7 144.6 109.7 1.9 36.6 -37.3 34.8 35 39 A I < + 0 0 2 -5,-2.6 -1,-0.3 -6,-0.2 -30,-0.2 -0.628 16.5 172.3 -77.3 128.1 36.5 -38.6 38.4 36 40 A T + 0 0 43 -32,-2.6 58,-2.5 -2,-0.4 2,-0.3 0.489 63.7 33.1-112.6 -9.0 39.9 -39.9 39.5 37 41 A A E -ac 5 94A 0 -33,-1.5 -31,-1.9 56,-0.2 2,-0.5 -0.981 61.6-155.4-152.3 137.7 39.2 -40.6 43.2 38 42 A V E -ac 6 95A 0 56,-2.9 58,-2.9 -2,-0.3 2,-0.7 -0.964 5.5-155.4-120.2 125.7 36.2 -41.6 45.2 39 43 A W E -ac 7 96A 1 -33,-2.7 -31,-2.4 -2,-0.5 58,-0.2 -0.883 22.3-153.5 -97.5 111.5 35.8 -40.9 48.9 40 44 A I E - c 0 97A 0 56,-2.0 58,-0.7 -2,-0.7 3,-0.1 -0.547 18.6-104.5 -87.3 152.3 33.5 -43.6 50.3 41 45 A P - 0 0 0 0, 0.0 57,-0.2 0, 0.0 -1,-0.1 -0.229 64.3 -57.1 -69.6 166.5 31.2 -43.1 53.3 42 46 A P - 0 0 0 0, 0.0 33,-0.2 0, 0.0 4,-0.1 -0.178 51.3-160.1 -44.5 127.1 32.1 -44.7 56.7 43 47 A A + 0 0 0 55,-0.3 2,-0.1 -3,-0.1 30,-0.1 0.520 58.7 85.0 -93.4 -6.2 32.5 -48.4 56.0 44 48 A W S S- 0 0 3 18,-0.1 18,-0.2 9,-0.1 2,-0.2 -0.411 89.4 -81.2 -96.0 170.8 32.1 -49.6 59.6 45 49 A K E -I 58 0B 0 16,-2.0 12,-2.0 13,-1.0 13,-1.7 -0.483 46.5-158.3 -71.4 131.1 29.1 -50.4 61.8 46 50 A G E -I 56 0B 4 2,-0.5 10,-0.2 -2,-0.2 -1,-0.1 -0.212 42.6 -77.7 -96.5-167.6 27.5 -47.4 63.4 47 51 A A S S+ 0 0 31 8,-1.0 2,-0.3 -2,-0.1 9,-0.1 0.712 116.7 4.4 -65.6 -19.9 25.3 -47.1 66.5 48 52 A S S > S- 0 0 41 7,-0.1 3,-1.1 1,-0.1 -2,-0.5 -0.928 85.6 -96.1-152.7 173.3 22.4 -48.4 64.4 49 53 A Q T 3 S+ 0 0 59 19,-0.4 -3,-0.1 -2,-0.3 -1,-0.1 0.884 122.5 47.2 -66.2 -38.3 21.8 -49.7 60.9 50 54 A N T 3 S+ 0 0 104 23,-0.1 -1,-0.2 24,-0.1 2,-0.2 0.292 82.0 124.7 -87.6 13.1 20.7 -46.3 59.6 51 55 A D < - 0 0 28 -3,-1.1 23,-0.4 1,-0.2 -5,-0.2 -0.524 65.8-135.2 -70.9 136.5 23.6 -44.5 61.1 52 56 A V - 0 0 6 -2,-0.2 -1,-0.2 1,-0.1 23,-0.1 0.760 53.2-100.0 -63.3 -21.4 25.5 -42.5 58.4 53 57 A G S S+ 0 0 2 -12,-0.1 -9,-0.1 -10,-0.1 -1,-0.1 0.193 103.8 99.0 123.5 -15.4 28.6 -43.9 60.1 54 58 A Y + 0 0 19 1,-0.3 2,-1.6 2,-0.1 49,-0.1 0.680 69.9 72.7 -77.3 -17.2 29.8 -41.0 62.2 55 59 A G S S- 0 0 1 -7,-0.1 -8,-1.0 49,-0.1 -1,-0.3 -0.448 89.8-163.6 -90.3 58.7 28.2 -42.6 65.3 56 60 A A E +I 46 0B 1 -2,-1.6 49,-2.0 -10,-0.2 -10,-0.2 -0.260 26.4 163.3 -53.9 115.0 31.1 -45.0 64.9 57 61 A Y E + 0 0 1 -12,-2.0 2,-0.4 47,-0.2 -11,-0.2 0.882 68.7 8.9 -97.5 -59.7 30.6 -48.1 66.9 58 62 A D E > -I 45 0B 1 -13,-1.7 3,-1.9 3,-0.2 -13,-1.0 -0.878 52.4-169.4-134.0 102.9 33.0 -50.8 65.6 59 63 A L T 3 S+ 0 0 10 -2,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.608 90.8 56.2 -64.0 -13.0 35.7 -49.8 63.2 60 64 A Y T 3 S+ 0 0 14 1,-0.1 2,-0.7 -15,-0.1 -1,-0.3 0.373 89.3 80.8 -99.7 1.2 36.5 -53.5 62.5 61 65 A D < + 0 0 0 -3,-1.9 -16,-2.0 -16,-0.1 2,-0.2 -0.856 51.8 174.2-110.5 93.9 33.0 -54.4 61.5 62 66 A L S S- 0 0 0 -2,-0.7 19,-0.2 -18,-0.2 11,-0.2 -0.164 80.8 -61.1 -91.9 40.4 32.7 -53.3 57.9 63 67 A G S S+ 0 0 2 -2,-0.2 15,-1.8 9,-0.2 16,-0.3 0.853 117.6 108.2 82.5 38.9 29.2 -54.9 57.5 64 68 A E + 0 0 69 13,-0.2 2,-0.3 1,-0.1 8,-0.1 0.623 63.5 57.1-118.1 -26.5 30.6 -58.3 58.3 65 69 A F S S- 0 0 24 6,-0.4 2,-1.3 5,-0.1 79,-0.1 -0.854 83.5-111.0-117.0 148.7 29.3 -59.1 61.9 66 70 A N + 0 0 109 77,-0.5 2,-0.3 -2,-0.3 5,-0.3 -0.601 63.9 137.9 -74.7 94.8 25.8 -59.3 63.4 67 71 A Q + 0 0 5 3,-2.5 3,-0.5 -2,-1.3 -9,-0.1 -0.998 57.0 17.3-143.7 141.3 26.0 -56.2 65.7 68 72 A K S S- 0 0 68 -2,-0.3 -19,-0.4 1,-0.2 -1,-0.1 0.771 131.7 -58.9 70.0 28.5 23.4 -53.5 66.5 69 73 A G S S+ 0 0 76 1,-0.2 2,-0.3 -21,-0.1 -1,-0.2 0.714 123.4 69.8 75.6 22.1 20.6 -55.6 65.1 70 74 A T - 0 0 13 -3,-0.5 -3,-2.5 -5,-0.1 -1,-0.2 -0.987 58.3-154.0-163.3 156.7 22.2 -55.9 61.6 71 75 A V S S+ 0 0 63 -2,-0.3 -6,-0.4 -5,-0.3 -1,-0.1 0.826 83.9 58.6 -99.2 -52.9 25.0 -57.4 59.7 72 76 A R S S- 0 0 52 -8,-0.1 5,-0.2 1,-0.1 -9,-0.2 -0.236 82.6-125.1 -72.5 163.6 25.3 -54.9 56.8 73 77 A T - 0 0 5 3,-2.6 3,-0.4 -11,-0.2 -28,-0.1 -0.260 46.5 -82.2 -92.1-170.9 26.0 -51.2 57.4 74 78 A K S S+ 0 0 12 -23,-0.4 -57,-1.5 1,-0.2 -55,-0.3 0.859 133.8 45.3 -62.4 -30.8 23.6 -48.6 56.0 75 79 A Y S S- 0 0 4 1,-0.3 -55,-2.3 -33,-0.2 -54,-0.4 0.636 121.0 -87.5 -89.6 -16.8 25.5 -49.1 52.7 76 80 A G - 0 0 0 -3,-0.4 -3,-2.6 -57,-0.2 -1,-0.3 -0.899 56.4 -39.8 140.3-169.4 25.8 -52.8 52.4 77 81 A T > - 0 0 40 -60,-0.3 4,-2.2 -2,-0.3 -13,-0.2 -0.324 53.2-104.8 -89.4 171.6 27.9 -55.8 53.4 78 82 A R H > S+ 0 0 48 -15,-1.8 4,-2.9 1,-0.2 5,-0.2 0.901 121.0 50.6 -62.6 -41.4 31.7 -56.2 53.6 79 83 A S H > S+ 0 0 84 -16,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.873 110.1 49.3 -65.9 -37.3 31.8 -58.3 50.4 80 84 A Q H > S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.902 112.5 49.4 -67.3 -39.4 29.6 -55.7 48.5 81 85 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.947 112.3 46.3 -63.4 -49.3 32.0 -53.0 49.7 82 86 A Q H X S+ 0 0 67 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.832 110.8 53.1 -65.2 -29.8 35.1 -54.9 48.6 83 87 A A H X S+ 0 0 40 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.838 108.9 50.8 -71.9 -32.3 33.4 -55.7 45.3 84 88 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.918 108.7 50.5 -70.0 -43.1 32.8 -52.0 44.9 85 89 A V H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.884 109.5 51.5 -62.0 -39.1 36.5 -51.2 45.6 86 90 A T H X S+ 0 0 72 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.922 107.5 52.5 -63.5 -44.5 37.6 -53.7 43.0 87 91 A S H X S+ 0 0 19 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.909 111.6 46.6 -58.0 -43.0 35.4 -52.2 40.4 88 92 A L H <>S+ 0 0 0 -4,-2.0 5,-3.2 2,-0.2 3,-0.3 0.904 112.9 48.9 -67.0 -41.5 36.9 -48.8 41.1 89 93 A K H ><5S+ 0 0 71 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.919 107.6 54.8 -63.6 -44.1 40.5 -50.2 41.1 90 94 A N H 3<5S+ 0 0 128 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.760 109.3 48.8 -61.4 -25.2 39.8 -51.9 37.8 91 95 A N T 3<5S- 0 0 50 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.184 121.5-108.0 -99.4 14.2 38.7 -48.6 36.3 92 96 A G T < 5 + 0 0 49 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.783 69.9 145.3 66.6 29.7 41.8 -46.8 37.6 93 97 A I < - 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