==== 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 01-SEP-04 1WPC . 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) . 17318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 68.0 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 . 69 14.3 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 . 44 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.8 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 . 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 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 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 2,-0.4 0, 0.0 389,-0.1 0.000 360.0 360.0 360.0 -37.7 45.7 -35.0 33.9 2 6 A N - 0 0 34 387,-0.3 2,-0.2 388,-0.3 357,-0.0 -0.541 360.0-141.0 -71.2 123.9 43.4 -32.8 36.2 3 7 A G - 0 0 23 -2,-0.4 2,-0.4 32,-0.1 32,-0.1 -0.605 20.4-178.1 -87.5 146.2 42.2 -34.8 39.2 4 8 A T - 0 0 3 -2,-0.2 32,-2.6 30,-0.2 33,-1.3 -0.971 8.6-157.7-144.7 124.5 38.7 -34.5 40.5 5 9 A M E -ab 37 361A 0 355,-2.4 357,-2.4 -2,-0.4 2,-0.4 -0.619 4.8-150.4-101.0 163.6 37.2 -36.3 43.5 6 10 A M E -ab 38 362A 0 31,-1.4 33,-2.6 355,-0.3 2,-1.1 -0.996 15.9-136.3-136.2 130.0 33.6 -37.0 44.3 7 11 A Q E -ab 39 363A 3 355,-2.3 357,-1.9 -2,-0.4 2,-1.6 -0.756 26.5-153.6 -80.7 104.9 31.9 -37.4 47.7 8 12 A Y + 0 0 5 31,-2.3 2,-0.3 -2,-1.1 -1,-0.1 -0.278 60.7 45.3 -84.4 55.2 29.8 -40.4 46.8 9 13 A F - 0 0 0 -2,-1.6 356,-0.5 31,-0.1 355,-0.4 -0.954 56.6-151.0-177.3 163.4 26.9 -39.9 49.2 10 14 A E > - 0 0 4 -2,-0.3 3,-1.2 354,-0.2 318,-0.1 -0.928 37.0-105.4-140.1 160.1 24.5 -37.5 50.7 11 15 A W T 3 S+ 0 0 68 -2,-0.3 317,-0.1 1,-0.2 -1,-0.0 0.847 111.9 48.6 -58.9 -38.9 22.8 -37.5 54.2 12 16 A Y T 3 S+ 0 0 56 -3,-0.0 -1,-0.2 2,-0.0 360,-0.1 0.099 71.2 141.4 -95.7 24.6 19.3 -38.6 53.1 13 17 A L < - 0 0 11 -3,-1.2 2,-0.1 1,-0.1 357,-0.0 -0.285 63.9 -93.5 -59.1 150.8 20.1 -41.6 50.9 14 18 A P - 0 0 80 0, 0.0 2,-1.9 0, 0.0 3,-0.3 -0.376 27.4-121.6 -68.0 146.1 17.6 -44.4 51.4 15 19 A N S S+ 0 0 57 1,-0.2 60,-0.1 -3,-0.1 35,-0.1 -0.487 73.3 123.2 -86.4 68.3 18.4 -47.1 54.0 16 20 A D S S- 0 0 60 -2,-1.9 -1,-0.2 58,-0.2 59,-0.1 0.416 73.1-126.1-108.5 -1.8 18.2 -49.8 51.4 17 21 A G S S+ 0 0 3 57,-1.6 60,-0.3 -3,-0.3 58,-0.2 0.733 83.5 104.9 63.0 23.6 21.6 -51.3 51.7 18 22 A N > + 0 0 75 56,-0.3 4,-1.9 -4,-0.2 58,-0.2 0.216 40.5 99.2-119.0 15.4 22.2 -50.9 48.0 19 23 A H H > S+ 0 0 0 56,-0.5 4,-2.5 55,-0.3 5,-0.2 0.886 81.0 53.8 -71.0 -38.7 24.6 -48.0 47.9 20 24 A W H > S+ 0 0 0 55,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.906 110.7 48.8 -61.3 -38.8 27.8 -50.0 47.5 21 25 A N H > S+ 0 0 48 54,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.894 108.5 52.9 -67.3 -39.7 26.1 -51.7 44.5 22 26 A R H X S+ 0 0 65 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.927 111.5 46.0 -60.6 -44.0 25.1 -48.3 43.0 23 27 A L H >X S+ 0 0 1 -4,-2.5 4,-0.9 2,-0.2 3,-0.6 0.931 109.5 56.7 -63.0 -45.3 28.7 -47.2 43.3 24 28 A N H >< S+ 0 0 48 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.939 112.1 39.4 -49.2 -57.8 29.9 -50.5 41.8 25 29 A S H 3< S+ 0 0 94 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.636 112.9 56.9 -71.8 -14.6 27.8 -50.0 38.6 26 30 A D H S+ 0 0 69 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.895 114.5 52.6 -60.4 -39.3 32.8 -46.7 34.5 29 33 A N H > S+ 0 0 51 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.936 108.1 50.0 -61.3 -47.8 30.4 -43.8 34.1 30 34 A L H X>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-0.6 0.916 110.4 49.6 -58.1 -45.6 32.2 -41.7 36.7 31 35 A K H ><5S+ 0 0 79 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.905 108.3 53.6 -61.4 -41.3 35.6 -42.3 35.1 32 36 A S H 3<5S+ 0 0 71 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.798 107.3 52.3 -64.5 -28.0 34.2 -41.3 31.7 33 37 A K H 3<5S- 0 0 73 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.516 127.8 -93.4 -86.8 -6.4 32.9 -38.0 33.2 34 38 A G T <<5S+ 0 0 8 -3,-1.2 2,-0.5 -4,-0.6 -30,-0.2 0.463 75.8 142.3 110.5 1.1 36.3 -37.0 34.7 35 39 A I < + 0 0 1 -5,-2.4 -1,-0.3 -6,-0.2 -30,-0.2 -0.661 16.8 171.0 -78.8 124.8 36.0 -38.4 38.2 36 40 A T + 0 0 37 -32,-2.6 58,-2.6 -2,-0.5 2,-0.3 0.511 62.0 28.8-111.4 -9.8 39.4 -39.8 39.3 37 41 A A E -ac 5 94A 0 -33,-1.3 -31,-1.4 56,-0.2 2,-0.4 -0.992 62.8-151.5-151.7 146.6 38.8 -40.5 43.0 38 42 A V E -ac 6 95A 0 56,-2.8 58,-3.2 -2,-0.3 2,-0.7 -0.981 5.8-153.3-127.5 128.2 35.9 -41.3 45.2 39 43 A W E -ac 7 96A 4 -33,-2.6 -31,-2.3 -2,-0.4 58,-0.2 -0.882 25.0-153.7 -96.2 113.0 35.4 -40.6 48.9 40 44 A I E - c 0 97A 1 56,-2.4 58,-0.6 -2,-0.7 3,-0.1 -0.582 18.8-103.6 -89.2 151.8 33.1 -43.3 50.2 41 45 A P - 0 0 0 0, 0.0 57,-0.3 0, 0.0 -1,-0.1 -0.190 64.6 -58.8 -66.7 164.8 30.7 -42.9 53.2 42 46 A P - 0 0 0 0, 0.0 33,-0.2 0, 0.0 4,-0.1 -0.224 51.8-160.5 -45.4 127.3 31.7 -44.4 56.5 43 47 A A + 0 0 0 55,-0.2 2,-0.1 -3,-0.1 30,-0.1 0.503 58.4 84.4 -93.8 -5.6 32.0 -48.1 55.7 44 48 A W S S- 0 0 2 18,-0.2 2,-0.3 9,-0.1 18,-0.2 -0.393 90.7 -76.8 -96.0 172.1 31.7 -49.4 59.3 45 49 A K E -I 58 0B 0 16,-1.7 12,-2.0 13,-1.1 13,-1.6 -0.476 47.8-158.5 -70.2 128.0 28.7 -50.3 61.6 46 50 A G E -I 56 0B 4 2,-0.5 10,-0.2 -2,-0.3 -1,-0.1 -0.244 42.9 -78.8 -94.9-170.8 27.0 -47.2 63.1 47 51 A A S S+ 0 0 29 8,-0.9 2,-0.3 -2,-0.1 9,-0.1 0.666 116.4 2.0 -63.7 -16.4 24.8 -46.9 66.2 48 52 A S S > S- 0 0 42 7,-0.1 3,-1.2 1,-0.1 -2,-0.5 -0.949 86.1 -94.0-158.6 171.5 22.0 -48.3 64.1 49 53 A Q T 3 S+ 0 0 59 19,-0.4 -3,-0.1 -2,-0.3 -1,-0.1 0.903 122.3 46.5 -62.6 -41.8 21.4 -49.6 60.6 50 54 A N T 3 S+ 0 0 102 23,-0.1 -1,-0.2 24,-0.1 2,-0.2 0.283 82.2 123.2 -87.4 13.9 20.2 -46.3 59.2 51 55 A D < - 0 0 31 -3,-1.2 23,-0.4 1,-0.2 -5,-0.2 -0.517 67.9-132.2 -72.3 138.7 23.1 -44.3 60.8 52 56 A V - 0 0 6 -2,-0.2 -1,-0.2 1,-0.1 23,-0.1 0.782 53.9-100.2 -63.2 -22.3 25.0 -42.3 58.1 53 57 A G S S+ 0 0 2 -12,-0.1 -9,-0.1 -10,-0.1 3,-0.1 0.171 103.7 99.2 124.7 -17.0 28.1 -43.8 59.8 54 58 A Y + 0 0 21 1,-0.3 2,-1.2 2,-0.1 49,-0.1 0.637 69.0 75.2 -77.2 -11.6 29.3 -40.9 62.0 55 59 A G S S- 0 0 3 -7,-0.1 -8,-0.9 49,-0.1 2,-0.3 -0.425 88.0-165.0 -92.3 56.1 27.6 -42.5 65.0 56 60 A A E +I 46 0B 2 -2,-1.2 49,-2.3 -10,-0.2 -10,-0.2 -0.265 26.8 161.3 -53.6 109.9 30.6 -44.8 64.7 57 61 A Y E + 0 0 1 -12,-2.0 2,-0.4 -2,-0.3 -11,-0.2 0.906 68.9 10.0 -94.7 -58.3 30.1 -48.0 66.8 58 62 A D E > -I 45 0B 1 -13,-1.6 3,-1.8 3,-0.2 -13,-1.1 -0.880 51.7-169.3-134.9 104.8 32.6 -50.6 65.4 59 63 A L T 3 S+ 0 0 10 -2,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.588 91.1 56.3 -65.6 -11.6 35.4 -49.6 63.0 60 64 A Y T 3 S+ 0 0 13 1,-0.1 2,-0.8 -15,-0.1 -1,-0.3 0.409 89.2 81.9 -99.7 -0.5 36.2 -53.3 62.3 61 65 A D < + 0 0 0 -3,-1.8 -16,-1.7 -16,-0.1 2,-0.6 -0.807 51.0 173.9-108.9 89.8 32.6 -54.2 61.3 62 66 A L S S- 0 0 0 -2,-0.8 19,-0.2 -18,-0.2 11,-0.2 -0.206 81.2 -61.2 -89.0 44.4 32.3 -53.2 57.6 63 67 A G S S+ 0 0 2 -2,-0.6 15,-1.9 9,-0.2 16,-0.3 0.850 116.7 109.4 79.5 37.4 28.8 -54.7 57.3 64 68 A E + 0 0 69 13,-0.2 2,-0.3 14,-0.1 8,-0.1 0.639 63.0 56.3-116.0 -25.2 30.2 -58.1 58.2 65 69 A F S S- 0 0 23 6,-0.4 2,-1.4 5,-0.1 79,-0.1 -0.807 82.2-110.9-116.8 155.7 28.8 -58.9 61.6 66 70 A N + 0 0 111 77,-0.5 2,-0.3 -2,-0.3 5,-0.2 -0.660 64.6 137.0 -82.5 90.5 25.4 -59.0 63.3 67 71 A Q B > +J 70 0C 5 3,-2.1 3,-0.6 -2,-1.4 -9,-0.1 -0.999 58.4 15.8-139.8 142.2 25.6 -56.0 65.6 68 72 A K T 3 S- 0 0 71 -2,-0.3 -19,-0.4 1,-0.2 -1,-0.1 0.722 132.2 -58.9 69.5 23.3 23.2 -53.2 66.4 69 73 A G T 3 S+ 0 0 74 1,-0.2 2,-0.3 -21,-0.1 -1,-0.2 0.679 122.3 71.1 81.6 20.3 20.4 -55.3 64.9 70 74 A T B < -J 67 0C 11 -3,-0.6 -3,-2.1 1,-0.1 -1,-0.2 -0.987 57.1-154.8-162.4 151.9 21.8 -55.6 61.5 71 75 A V S S+ 0 0 66 -2,-0.3 -6,-0.4 -5,-0.2 -1,-0.1 0.872 85.7 56.9 -92.2 -56.9 24.6 -57.3 59.5 72 76 A R S S- 0 0 53 -8,-0.1 5,-0.2 1,-0.1 -9,-0.2 -0.217 82.8-126.8 -70.8 161.0 24.9 -54.8 56.7 73 77 A T - 0 0 5 3,-2.6 3,-0.4 -11,-0.2 -24,-0.1 -0.286 46.2 -83.6 -90.8-173.3 25.5 -51.1 57.2 74 78 A K S S+ 0 0 13 -23,-0.4 -57,-1.6 -26,-0.2 -55,-0.3 0.845 132.8 46.9 -61.3 -30.8 23.1 -48.5 55.7 75 79 A Y S S- 0 0 4 1,-0.3 -55,-2.1 -33,-0.2 -56,-0.5 0.663 120.9 -86.3 -87.6 -20.1 25.1 -48.9 52.5 76 80 A G - 0 0 0 -3,-0.4 -3,-2.6 -57,-0.2 -1,-0.3 -0.928 56.0 -42.1 144.3-168.4 25.4 -52.6 52.2 77 81 A T > - 0 0 43 -60,-0.3 4,-2.1 -2,-0.3 -13,-0.2 -0.437 52.2-106.7 -92.2 168.2 27.5 -55.6 53.2 78 82 A R H > S+ 0 0 50 -15,-1.9 4,-2.7 1,-0.2 5,-0.2 0.891 121.3 55.1 -59.7 -38.5 31.3 -55.9 53.4 79 83 A S H > S+ 0 0 89 -16,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.924 108.3 46.2 -59.9 -47.1 31.1 -58.1 50.3 80 84 A Q H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.862 112.3 52.4 -65.0 -37.0 29.2 -55.5 48.3 81 85 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.930 109.8 47.2 -64.3 -47.7 31.6 -52.8 49.5 82 86 A Q H X S+ 0 0 67 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.825 110.6 53.3 -65.6 -29.1 34.7 -54.8 48.4 83 87 A A H X S+ 0 0 42 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.873 109.3 49.2 -71.9 -36.8 33.0 -55.5 45.1 84 88 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.909 109.2 51.4 -68.0 -42.3 32.5 -51.8 44.6 85 89 A V H X S+ 0 0 10 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.931 109.1 50.9 -60.3 -45.7 36.1 -51.0 45.5 86 90 A T H X S+ 0 0 75 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.896 108.6 52.4 -58.5 -41.5 37.3 -53.6 42.9 87 91 A S H X S+ 0 0 19 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.902 110.9 47.0 -61.8 -41.7 35.1 -52.0 40.3 88 92 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 3,-0.8 0.925 112.3 49.3 -65.9 -45.4 36.5 -48.5 41.0 89 93 A K H ><5S+ 0 0 73 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.873 108.3 53.8 -61.0 -40.3 40.1 -49.9 40.9 90 94 A N H 3<5S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.679 108.6 50.0 -69.8 -17.8 39.4 -51.6 37.6 91 95 A N T <<5S- 0 0 47 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.207 122.0-106.8-103.3 12.4 38.2 -48.3 36.2 92 96 A G T < 5S+ 0 0 46 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.824 71.9 142.8 68.1 33.7 41.3 -46.5 37.4 93 97 A I < - 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