==== 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 07-JAN-98 1BLI . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR M.MACHIUS,N.DECLERCK,R.HUBER,G.WIEGAND . 481 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 13.7 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 . 37 7.7 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 . 94 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 1 0 0 0 0 2 0 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 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 5 2 2 0 2 1 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 2 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 3 A L 0 0 160 0, 0.0 2,-0.1 0, 0.0 389,-0.1 0.000 360.0 360.0 360.0 132.9 -24.2 48.8 -20.8 2 4 A N - 0 0 31 387,-0.3 2,-0.3 388,-0.2 354,-0.0 -0.370 360.0-130.0 -66.0 136.0 -25.2 45.3 -19.7 3 5 A G - 0 0 25 -2,-0.1 2,-0.4 32,-0.1 32,-0.1 -0.703 24.0-173.5 -90.9 141.7 -27.9 45.1 -17.0 4 6 A T - 0 0 3 -2,-0.3 32,-2.4 30,-0.3 33,-1.3 -0.993 8.5-153.7-138.5 128.6 -27.4 42.9 -13.9 5 7 A L E -ab 37 358A 1 352,-2.7 354,-2.7 -2,-0.4 2,-0.4 -0.621 3.7-160.0 -96.4 152.3 -29.9 42.1 -11.2 6 8 A M E -ab 38 359A 0 31,-1.3 33,-2.6 352,-0.2 2,-0.9 -0.981 16.4-140.6-134.3 126.0 -29.0 41.2 -7.6 7 9 A Q E -ab 39 360A 0 352,-2.8 354,-1.8 -2,-0.4 2,-1.2 -0.777 24.8-152.9 -80.2 112.0 -31.5 39.4 -5.3 8 10 A Y + 0 0 5 31,-2.7 2,-0.3 -2,-0.9 -1,-0.1 -0.390 58.9 49.7 -93.2 60.1 -30.6 41.4 -2.2 9 11 A F - 0 0 0 -2,-1.2 353,-0.5 31,-0.1 352,-0.4 -0.915 57.6-147.2-178.4 163.2 -31.4 38.9 0.7 10 12 A E > - 0 0 1 -2,-0.3 3,-0.9 351,-0.2 315,-0.1 -0.872 33.5-113.3-134.2 155.9 -30.8 35.4 1.9 11 13 A W T 3 S+ 0 0 71 -2,-0.3 -1,-0.0 1,-0.2 314,-0.0 0.889 109.9 47.8 -62.4 -40.2 -33.4 33.4 3.9 12 14 A Y T 3 S+ 0 0 66 -3,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.104 72.7 137.1 -94.4 19.7 -31.4 33.2 7.1 13 15 A M < - 0 0 10 -3,-0.9 354,-0.0 1,-0.1 6,-0.0 -0.338 64.8 -91.7 -62.2 150.0 -30.3 36.8 7.6 14 16 A P - 0 0 46 0, 0.0 2,-1.8 0, 0.0 3,-0.3 -0.285 26.8-120.6 -64.4 146.4 -30.5 38.0 11.2 15 17 A N S S+ 0 0 59 1,-0.2 60,-0.1 -3,-0.1 35,-0.1 -0.580 71.7 124.7 -86.7 72.9 -33.7 39.7 12.5 16 18 A D S S- 0 0 57 -2,-1.8 -1,-0.2 58,-0.2 59,-0.1 0.418 72.4-124.9-112.6 -0.9 -31.9 42.8 13.5 17 19 A G S S+ 0 0 4 57,-1.5 60,-0.2 -3,-0.3 4,-0.2 0.666 84.1 106.6 66.5 16.6 -33.8 45.5 11.6 18 20 A Q > + 0 0 79 56,-0.2 4,-2.3 -4,-0.2 3,-0.5 0.527 42.6 97.8-102.8 -7.2 -30.5 46.7 10.0 19 21 A H H > S+ 0 0 3 55,-0.3 4,-2.4 1,-0.2 57,-0.2 0.823 81.5 49.6 -53.8 -42.5 -31.1 45.3 6.4 20 22 A W H > S+ 0 0 0 55,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.884 112.8 49.7 -65.9 -35.3 -32.3 48.5 4.7 21 23 A K H > S+ 0 0 62 -3,-0.5 4,-2.2 54,-0.4 -2,-0.2 0.887 109.7 51.7 -67.9 -38.1 -29.3 50.4 6.2 22 24 A R H X S+ 0 0 77 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.923 108.8 50.2 -61.6 -45.6 -27.0 47.6 4.9 23 25 A L H >X S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 4,-0.6 0.935 109.0 52.2 -60.0 -45.3 -28.5 48.0 1.4 24 26 A Q H >< S+ 0 0 68 -4,-2.2 3,-1.2 1,-0.3 4,-0.3 0.932 109.7 49.3 -56.9 -45.1 -28.0 51.7 1.6 25 27 A N H 3< S+ 0 0 130 -4,-2.2 4,-0.3 1,-0.2 3,-0.3 0.716 106.6 56.1 -67.0 -22.9 -24.3 51.2 2.5 26 28 A D H S+ 0 0 50 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.916 114.6 49.3 -61.2 -43.9 -21.4 52.3 -4.0 29 31 A Y H > S+ 0 0 38 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.911 111.5 48.8 -63.3 -42.3 -20.1 48.7 -4.1 30 32 A L H <>S+ 0 0 0 -4,-3.0 5,-2.2 2,-0.2 4,-0.3 0.944 112.6 48.0 -63.4 -46.8 -23.1 47.5 -6.1 31 33 A A H ><5S+ 0 0 32 -4,-2.6 3,-1.5 -5,-0.3 -2,-0.2 0.910 108.8 54.5 -60.3 -43.7 -22.7 50.3 -8.6 32 34 A E H 3<5S+ 0 0 120 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 108.6 48.7 -60.7 -36.6 -19.0 49.7 -9.0 33 35 A H T 3<5S- 0 0 22 -4,-1.8 -1,-0.3 -3,-0.2 357,-0.2 0.352 121.3-101.0 -88.9 9.5 -19.5 46.1 -9.9 34 36 A G T < 5 + 0 0 7 -3,-1.5 2,-0.5 1,-0.3 -30,-0.3 0.645 66.2 151.7 87.0 14.6 -22.1 46.7 -12.5 35 37 A I < + 0 0 3 -5,-2.2 -1,-0.3 -6,-0.2 -30,-0.2 -0.702 14.4 175.2 -80.2 124.7 -25.3 45.8 -10.6 36 38 A T + 0 0 34 -32,-2.4 58,-2.8 -2,-0.5 2,-0.3 0.432 61.1 24.6-111.2 -3.0 -28.0 47.9 -12.2 37 39 A A E -ac 5 94A 0 -33,-1.3 -31,-1.3 56,-0.3 2,-0.4 -0.977 61.1-155.3-159.5 144.7 -31.1 46.7 -10.3 38 40 A V E -ac 6 95A 0 56,-2.5 58,-3.4 -2,-0.3 2,-0.6 -0.987 10.2-147.6-128.4 140.7 -31.9 45.0 -7.0 39 41 A W E -ac 7 96A 1 -33,-2.6 -31,-2.7 -2,-0.4 58,-0.2 -0.934 24.4-158.3-101.9 117.3 -34.8 42.9 -6.0 40 42 A I E - c 0 97A 0 56,-2.2 58,-0.6 -2,-0.6 3,-0.2 -0.704 22.2-101.4 -97.8 152.4 -35.5 43.6 -2.3 41 43 A P - 0 0 0 0, 0.0 57,-0.3 0, 0.0 -1,-0.1 -0.183 63.6 -60.0 -66.1 164.2 -37.4 41.2 0.0 42 44 A P - 0 0 1 0, 0.0 57,-0.1 0, 0.0 4,-0.1 -0.193 50.9-160.5 -47.1 126.4 -41.1 41.8 0.9 43 45 A A + 0 0 0 55,-0.4 2,-0.2 -3,-0.2 30,-0.1 0.465 56.4 85.4 -94.7 -1.1 -41.2 45.1 2.5 44 46 A Y S S- 0 0 3 9,-0.2 18,-0.2 18,-0.1 12,-0.2 -0.587 90.0 -70.7-103.6 165.0 -44.6 44.9 4.3 45 47 A K B -I 58 0B 1 16,-2.3 12,-2.0 13,-0.8 13,-1.9 -0.242 49.6-168.1 -56.4 126.4 -45.7 43.5 7.7 46 48 A G - 0 0 4 2,-0.4 -1,-0.1 10,-0.2 3,-0.1 -0.146 47.2 -71.2-100.1-162.2 -45.6 39.7 8.0 47 49 A T S S- 0 0 47 -2,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.666 115.3 -5.5 -71.2 -16.8 -47.1 37.4 10.6 48 50 A S S > S- 0 0 53 1,-0.1 3,-1.5 21,-0.0 -2,-0.4 -0.949 85.2 -88.8-162.6 172.0 -44.4 38.5 13.1 49 51 A Q T 3 S+ 0 0 62 19,-0.4 -1,-0.1 -2,-0.3 20,-0.1 0.848 124.5 51.7 -58.4 -35.3 -41.3 40.7 13.2 50 52 A A T 3 S+ 0 0 53 23,-0.1 -1,-0.3 24,-0.1 2,-0.1 0.435 77.0 126.1 -85.8 1.5 -39.2 37.8 12.1 51 53 A D < - 0 0 25 -3,-1.5 23,-0.4 1,-0.2 -5,-0.1 -0.384 63.9-136.3 -59.1 130.5 -41.3 36.8 9.1 52 54 A V - 0 0 12 1,-0.1 -1,-0.2 -2,-0.1 23,-0.1 0.779 56.3 -97.0 -60.7 -21.7 -39.0 36.6 6.0 53 55 A G S > S+ 0 0 2 -12,-0.1 3,-0.6 -10,-0.1 -9,-0.2 0.254 104.1 100.2 126.8 -13.0 -41.9 38.4 4.4 54 56 A Y T 3 + 0 0 25 1,-0.2 49,-0.1 2,-0.1 -3,-0.0 0.485 67.1 78.8 -84.0 3.2 -44.0 35.8 2.6 55 57 A G T 3 S- 0 0 1 -7,-0.1 50,-1.5 49,-0.1 -1,-0.2 0.825 79.3-165.5 -74.1 -33.2 -46.5 35.7 5.5 56 58 A A < + 0 0 0 -3,-0.6 49,-1.0 -12,-0.2 -10,-0.2 0.939 23.3 161.6 44.6 74.8 -48.0 38.9 4.0 57 59 A Y S S+ 0 0 0 -12,-2.0 2,-0.4 1,-0.3 -11,-0.2 0.942 70.0 10.2 -84.3 -56.0 -50.2 40.2 6.8 58 60 A D B > -I 45 0B 1 -13,-1.9 3,-1.5 3,-0.2 -13,-0.8 -0.913 54.4-169.2-135.3 108.2 -50.6 43.9 5.7 59 61 A L T 3 S+ 0 0 11 -2,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.634 91.6 54.8 -67.6 -16.3 -49.5 45.2 2.3 60 62 A Y T 3 S+ 0 0 9 1,-0.1 2,-0.8 -15,-0.1 -1,-0.3 0.389 90.1 82.4 -98.4 3.0 -50.0 48.8 3.4 61 63 A D < + 0 0 0 -3,-1.5 -16,-2.3 -16,-0.1 2,-0.4 -0.813 51.5 174.5-108.8 90.8 -47.7 48.5 6.5 62 64 A L S S- 0 0 0 -2,-0.8 19,-0.2 -18,-0.2 11,-0.2 -0.095 80.5 -60.6 -89.9 40.0 -44.2 48.9 5.2 63 65 A G S S+ 0 0 2 -2,-0.4 15,-1.4 14,-0.2 16,-0.3 0.834 117.9 108.2 83.7 40.8 -42.7 48.9 8.7 64 66 A E + 0 0 62 13,-0.2 2,-0.3 14,-0.1 8,-0.1 0.634 60.5 58.5-120.0 -28.1 -44.7 51.9 9.7 65 67 A F S S- 0 0 27 6,-0.4 2,-1.3 5,-0.1 5,-0.2 -0.804 81.4-112.3-115.1 153.1 -47.4 50.8 12.1 66 68 A H + 0 0 132 77,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.672 65.8 133.9 -80.3 95.5 -47.4 49.1 15.4 67 69 A Q B > +J 70 0C 5 3,-2.2 3,-1.0 -2,-1.3 -9,-0.1 -0.991 58.4 17.8-144.8 148.0 -49.0 45.7 14.4 68 70 A K T 3 S- 0 0 63 -2,-0.3 -19,-0.4 1,-0.2 -1,-0.1 0.819 132.1 -60.8 59.3 30.8 -48.2 42.1 15.1 69 71 A G T 3 S+ 0 0 68 1,-0.1 2,-0.3 -21,-0.1 -1,-0.2 0.698 120.7 67.1 74.4 22.2 -46.1 43.3 18.0 70 72 A T B < -J 67 0C 9 -3,-1.0 -3,-2.2 -5,-0.2 -1,-0.1 -0.981 58.5-150.3-162.4 158.5 -43.5 45.5 16.1 71 73 A V S S+ 0 0 63 -2,-0.3 -6,-0.4 -5,-0.2 -1,-0.1 0.804 85.7 58.4 -97.9 -53.1 -43.4 48.6 14.1 72 74 A R S S- 0 0 53 -8,-0.1 5,-0.2 1,-0.1 -9,-0.2 -0.285 81.7-128.3 -72.6 158.8 -40.4 47.6 11.8 73 75 A T - 0 0 6 3,-2.3 3,-0.4 -11,-0.2 -24,-0.1 -0.254 47.6 -81.5 -88.7-173.5 -40.5 44.6 9.6 74 76 A K S S+ 0 0 16 -23,-0.4 -57,-1.5 -26,-0.2 -55,-0.3 0.870 132.6 47.1 -58.0 -34.2 -37.6 42.1 9.8 75 77 A Y S S- 0 0 3 1,-0.3 -55,-2.2 -58,-0.2 -54,-0.4 0.652 119.6 -87.5 -84.4 -22.1 -35.6 44.5 7.5 76 78 A G - 0 0 0 -3,-0.4 -3,-2.3 -57,-0.2 -1,-0.3 -0.920 56.6 -44.4 143.0-165.9 -36.2 47.9 9.1 77 79 A T > - 0 0 49 -2,-0.3 4,-1.9 -60,-0.2 -14,-0.2 -0.520 52.4-104.8 -97.0 164.5 -38.7 50.7 9.0 78 80 A K H > S+ 0 0 20 -15,-1.4 4,-2.5 1,-0.2 5,-0.1 0.861 119.5 53.8 -55.4 -40.6 -40.3 52.4 6.1 79 81 A G H > S+ 0 0 38 -16,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.905 107.1 50.9 -64.5 -40.4 -38.0 55.5 6.4 80 82 A E H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 110.4 49.2 -64.0 -37.8 -35.0 53.4 6.3 81 83 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.907 110.7 51.0 -66.9 -41.8 -36.2 51.6 3.1 82 84 A Q H X S+ 0 0 73 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.878 109.5 49.6 -63.7 -37.7 -36.9 55.0 1.6 83 85 A S H X S+ 0 0 58 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.903 111.5 49.5 -66.3 -43.8 -33.4 56.3 2.4 84 86 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.936 110.6 49.0 -60.1 -48.0 -31.9 53.1 0.9 85 87 A I H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.871 108.7 54.5 -61.6 -35.6 -33.9 53.4 -2.3 86 88 A K H X S+ 0 0 168 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.941 109.0 48.4 -63.6 -43.6 -32.9 57.1 -2.6 87 89 A S H X S+ 0 0 19 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.865 111.3 49.0 -62.5 -39.3 -29.2 56.0 -2.4 88 90 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 3,-0.7 0.918 111.3 49.7 -68.0 -42.2 -29.6 53.3 -5.0 89 91 A H H ><5S+ 0 0 51 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.868 102.9 60.6 -66.1 -33.5 -31.4 55.7 -7.3 90 92 A S H 3<5S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.821 109.1 44.3 -62.8 -26.9 -28.7 58.3 -6.9 91 93 A R T <<5S- 0 0 108 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.123 122.9-105.8-101.4 19.3 -26.2 55.8 -8.3 92 94 A D T < 5S+ 0 0 139 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.769 71.4 145.2 64.9 25.8 -28.6 54.8 -11.2 93 95 A I < - 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