==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUN-00 1E3Z . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR A.M.BRZOZOWSKI,D.M.LAWSON,J.P.TURKENBURG, . 483 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 14.1 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 . 36 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.4 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 1.4 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 0 1 0 0 0 0 2 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 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 . 3 6 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 . 3 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 1 A V 0 0 138 0, 0.0 2,-0.2 0, 0.0 391,-0.1 0.000 360.0 360.0 360.0 148.9 -1.4 25.6 22.4 2 2 A N - 0 0 34 389,-0.3 2,-0.3 390,-0.3 356,-0.0 -0.521 360.0-124.7 -65.5 136.0 2.1 24.1 22.3 3 3 A G - 0 0 26 -2,-0.2 2,-0.4 32,-0.1 32,-0.1 -0.634 27.8-175.4 -87.1 147.1 4.6 26.0 24.5 4 4 A T - 0 0 4 -2,-0.3 32,-2.3 30,-0.2 33,-1.5 -0.987 10.7-151.4-140.3 127.3 7.8 27.4 22.9 5 5 A L E -ab 37 360A 1 354,-2.8 356,-2.7 -2,-0.4 2,-0.4 -0.708 5.5-159.1 -94.4 150.7 10.7 29.1 24.8 6 6 A M E -ab 38 361A 1 31,-1.7 33,-2.5 -2,-0.3 2,-0.6 -0.994 14.7-141.3-127.7 129.2 13.0 31.7 23.2 7 7 A Q E -ab 39 362A 0 354,-2.5 356,-1.4 -2,-0.4 2,-0.8 -0.798 22.0-152.1 -79.5 117.6 16.4 32.6 24.6 8 8 A Y + 0 0 5 31,-3.0 2,-0.3 -2,-0.6 -1,-0.1 -0.376 61.2 42.6 -99.3 60.7 16.4 36.4 24.0 9 9 A F - 0 0 0 -2,-0.8 355,-0.5 31,-0.1 354,-0.4 -0.938 58.1-148.9-178.3 162.2 20.1 37.2 23.6 10 10 A E > - 0 0 5 -2,-0.3 3,-1.4 353,-0.2 317,-0.1 -0.847 41.0 -98.5-135.4 167.6 23.3 36.0 22.0 11 11 A W T 3 S+ 0 0 75 -2,-0.3 316,-0.1 1,-0.3 358,-0.0 0.871 119.4 47.8 -57.7 -36.4 26.9 36.5 23.3 12 12 A Y T 3 S+ 0 0 69 -3,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.064 70.4 143.4 -97.7 25.1 27.6 39.4 21.1 13 13 A T < - 0 0 4 -3,-1.4 356,-0.0 1,-0.1 6,-0.0 -0.341 61.6 -97.7 -54.3 143.8 24.5 41.6 21.6 14 14 A P - 0 0 67 0, 0.0 2,-1.4 0, 0.0 3,-0.4 -0.315 16.2-125.7 -72.6 152.5 25.8 45.2 21.6 15 15 A N S S+ 0 0 59 1,-0.2 60,-0.1 2,-0.1 35,-0.0 -0.499 73.8 118.7 -89.7 60.6 26.6 47.3 24.7 16 16 A D S S- 0 0 63 -2,-1.4 -1,-0.2 58,-0.2 59,-0.1 0.449 79.1-122.1-106.6 2.2 24.2 50.1 23.5 17 17 A G S S+ 0 0 2 57,-1.3 60,-0.3 -3,-0.4 4,-0.2 0.650 86.6 102.6 66.5 19.3 21.8 50.0 26.5 18 18 A Q > + 0 0 76 -4,-0.2 4,-2.3 56,-0.2 5,-0.2 0.261 38.0 103.7-115.8 11.8 18.9 49.3 24.2 19 19 A H H > S+ 0 0 0 56,-0.5 4,-2.4 55,-0.3 57,-0.2 0.886 82.3 50.8 -64.4 -39.8 18.2 45.6 24.6 20 20 A W H > S+ 0 0 0 55,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.902 111.2 50.1 -64.6 -36.3 15.1 46.0 26.8 21 21 A K H > S+ 0 0 79 54,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.912 108.4 53.0 -68.3 -36.5 13.7 48.4 24.2 22 22 A R H X S+ 0 0 60 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.925 110.5 47.2 -61.6 -44.5 14.4 45.9 21.5 23 23 A L H >X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 3,-0.7 0.937 110.2 51.9 -62.7 -46.0 12.5 43.2 23.4 24 24 A Q H >< S+ 0 0 61 -4,-2.4 3,-0.9 1,-0.3 4,-0.3 0.925 110.8 48.8 -54.7 -48.3 9.6 45.6 24.1 25 25 A N H 3< S+ 0 0 136 -4,-2.4 4,-0.3 1,-0.2 -1,-0.3 0.688 111.1 50.5 -67.9 -18.2 9.4 46.4 20.4 26 26 A D H S+ 0 0 112 -4,-0.3 4,-2.6 -3,-0.2 -1,-0.2 0.950 113.7 47.7 -62.1 -46.2 3.9 41.5 19.1 29 29 A H H > S+ 0 0 47 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.933 111.1 50.7 -60.4 -45.2 6.1 39.6 16.6 30 30 A L H X>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 4,-0.7 0.934 112.2 46.5 -61.4 -44.6 7.1 37.0 19.2 31 31 A S H ><5S+ 0 0 30 -4,-2.3 3,-1.1 -5,-0.3 -1,-0.2 0.943 110.3 54.6 -65.2 -42.5 3.6 36.3 20.2 32 32 A D H 3<5S+ 0 0 113 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.853 107.5 48.8 -58.6 -38.8 2.4 36.1 16.6 33 33 A I H 3<5S- 0 0 22 -4,-2.1 -1,-0.3 -5,-0.2 359,-0.2 0.596 125.7 -94.7 -83.2 -6.0 4.9 33.5 15.6 34 34 A G T <<5 + 0 0 7 -3,-1.1 2,-0.4 -4,-0.7 -3,-0.2 0.505 69.6 148.8 111.1 5.0 4.1 31.2 18.6 35 35 A I < + 0 0 4 -5,-2.3 -1,-0.3 -6,-0.2 -30,-0.2 -0.633 15.9 176.5 -72.0 133.0 6.6 32.1 21.3 36 36 A T + 0 0 42 -32,-2.3 58,-2.8 -2,-0.4 2,-0.3 0.544 64.0 22.9-114.2 -10.9 5.0 31.6 24.8 37 37 A A E -ac 5 94A 0 -33,-1.5 -31,-1.7 56,-0.3 2,-0.4 -0.989 62.0-153.6-155.0 142.9 8.0 32.3 27.1 38 38 A V E -ac 6 95A 0 56,-2.1 58,-3.1 -2,-0.3 2,-0.6 -0.991 9.2-147.2-121.0 137.6 11.2 34.3 26.8 39 39 A W E -ac 7 96A 2 -33,-2.5 -31,-3.0 -2,-0.4 58,-0.2 -0.898 22.7-159.6 -98.3 119.1 14.4 33.7 28.8 40 40 A I E - c 0 97A 0 56,-2.0 58,-0.8 -2,-0.6 3,-0.1 -0.708 21.6-103.2 -99.7 150.9 16.1 37.1 29.4 41 41 A P - 0 0 0 0, 0.0 57,-0.3 0, 0.0 -1,-0.1 -0.171 60.2 -63.3 -65.4 165.4 19.8 37.5 30.2 42 42 A P - 0 0 1 0, 0.0 57,-0.1 0, 0.0 4,-0.1 -0.317 52.8-164.2 -51.4 121.0 21.0 38.3 33.8 43 43 A A + 0 0 0 55,-0.4 2,-0.2 -3,-0.1 30,-0.1 0.385 52.6 92.9 -97.6 4.1 19.4 41.7 34.4 44 44 A Y S S- 0 0 2 9,-0.1 18,-0.2 1,-0.1 15,-0.2 -0.506 89.0 -73.0-101.8 160.8 21.5 42.9 37.5 45 45 A K E -I 58 0B 0 16,-2.1 12,-2.9 13,-0.9 13,-1.7 -0.331 47.4-158.5 -61.9 124.8 24.7 44.9 37.6 46 46 A G E -I 56 0B 5 2,-0.4 -1,-0.1 10,-0.3 12,-0.1 -0.305 41.6 -86.1 -90.7-179.4 27.8 43.1 36.5 47 47 A L S S+ 0 0 53 8,-1.9 2,-0.3 -2,-0.1 -2,-0.1 0.634 114.2 14.8 -70.7 -10.3 31.4 44.1 37.4 48 48 A S S > S- 0 0 45 7,-0.2 3,-1.1 1,-0.1 -2,-0.4 -0.962 85.5-104.8-149.3 165.4 31.4 46.5 34.5 49 49 A Q T 3 S+ 0 0 62 19,-0.4 -3,-0.1 -2,-0.3 -1,-0.1 0.829 118.2 49.9 -58.6 -37.2 28.8 48.0 32.1 50 50 A S T 3 S+ 0 0 70 23,-0.1 -1,-0.2 24,-0.1 2,-0.1 0.455 80.4 119.0 -88.3 3.4 29.7 45.7 29.2 51 51 A D < - 0 0 36 -3,-1.1 23,-0.4 1,-0.1 -5,-0.2 -0.452 67.2-133.2 -67.9 140.1 29.6 42.5 31.2 52 52 A N - 0 0 12 22,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 0.561 53.8 -95.7 -70.6 -10.5 27.0 40.0 29.8 53 53 A G S S+ 0 0 3 -12,-0.1 -9,-0.1 2,-0.1 47,-0.1 0.274 103.5 103.8 115.5 -8.2 25.7 39.4 33.4 54 54 A Y S S+ 0 0 28 1,-0.3 -3,-0.0 -12,-0.1 -8,-0.0 0.416 77.7 58.0 -90.8 3.5 27.7 36.3 34.2 55 55 A G S S- 0 0 0 -7,-0.1 -8,-1.9 50,-0.1 -1,-0.3 -0.643 87.3-170.7-121.0 68.3 30.1 38.3 36.4 56 56 A P E +I 46 0B 2 0, 0.0 49,-2.4 0, 0.0 -10,-0.3 -0.450 20.7 175.1 -68.1 130.5 27.4 39.6 38.7 57 57 A Y E S+ 0 0 2 -12,-2.9 2,-0.4 1,-0.2 -11,-0.2 0.884 72.6 13.6 -97.3 -54.2 28.3 42.4 41.2 58 58 A D E > -I 45 0B 2 -13,-1.7 3,-1.8 3,-0.2 -13,-0.9 -0.908 53.4-166.8-132.5 109.9 25.0 43.3 42.8 59 59 A L T 3 S+ 0 0 20 -2,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.652 91.6 57.4 -65.7 -17.6 21.8 41.2 42.4 60 60 A Y T 3 S+ 0 0 11 1,-0.1 2,-0.8 -15,-0.1 -1,-0.3 0.391 87.8 83.6 -94.1 3.5 19.7 44.1 43.8 61 61 A D < + 0 0 0 -3,-1.8 -16,-2.1 -16,-0.1 -3,-0.2 -0.879 48.2 172.6-107.1 98.3 20.8 46.6 41.2 62 62 A L S S- 0 0 0 -2,-0.8 11,-0.2 -18,-0.2 19,-0.2 0.062 77.2 -62.4 -92.6 27.7 18.6 46.1 38.1 63 63 A G S S+ 0 0 2 9,-0.2 15,-1.5 14,-0.2 16,-0.3 0.821 115.2 97.4 98.3 43.8 20.0 49.2 36.4 64 64 A E + 0 0 68 13,-0.2 2,-0.3 14,-0.1 8,-0.1 0.461 64.8 71.4-139.2 -3.4 19.0 52.0 38.7 65 65 A F S S- 0 0 27 6,-0.5 2,-1.2 5,-0.1 79,-0.1 -0.868 81.7-114.4-119.0 150.4 22.0 52.8 41.0 66 66 A Q + 0 0 116 77,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.682 62.2 137.2 -83.6 95.3 25.3 54.5 40.1 67 67 A Q B > +J 70 0C 7 3,-2.0 3,-1.0 -2,-1.2 -2,-0.1 -0.992 60.5 14.9-142.9 140.8 27.7 51.6 40.6 68 68 A K T 3 S- 0 0 75 -2,-0.3 -19,-0.4 1,-0.2 -1,-0.1 0.772 130.1 -62.3 62.9 29.7 30.7 50.5 38.4 69 69 A G T 3 S+ 0 0 68 1,-0.1 2,-0.3 -21,-0.1 -1,-0.2 0.586 120.3 76.7 76.0 12.2 30.6 53.8 36.6 70 70 A T B < -J 67 0C 8 -3,-1.0 -3,-2.0 1,-0.2 -1,-0.1 -0.991 57.5-156.3-151.3 151.8 27.2 53.3 35.1 71 71 A V S S+ 0 0 60 -2,-0.3 -6,-0.5 -5,-0.2 -1,-0.2 0.888 84.4 57.0 -89.9 -56.0 23.5 53.4 36.0 72 72 A R S S- 0 0 55 -8,-0.1 5,-0.2 -9,-0.1 -9,-0.2 -0.233 81.8-126.8 -68.7 162.1 22.2 51.0 33.4 73 73 A T - 0 0 6 3,-2.1 3,-0.4 -11,-0.2 -24,-0.1 -0.219 47.7 -83.1 -86.6-171.7 23.4 47.5 32.9 74 74 A K S S+ 0 0 15 -23,-0.4 -57,-1.3 1,-0.2 -55,-0.3 0.858 132.5 47.8 -58.7 -36.8 24.6 46.4 29.4 75 75 A Y S S- 0 0 2 1,-0.3 -55,-1.9 -58,-0.2 -56,-0.5 0.670 119.4 -89.3 -86.4 -21.2 21.0 45.8 28.5 76 76 A G - 0 0 0 -3,-0.4 -3,-2.1 -57,-0.2 -1,-0.3 -0.912 56.0 -40.0 144.8-165.6 19.3 49.0 29.7 77 77 A T > - 0 0 37 -60,-0.3 4,-2.0 -2,-0.3 -13,-0.2 -0.404 50.0-109.9 -93.2 168.3 17.6 50.5 32.8 78 78 A K H > S+ 0 0 16 -15,-1.5 4,-2.4 1,-0.2 5,-0.2 0.905 118.2 52.5 -62.7 -41.6 15.3 49.0 35.3 79 79 A S H > S+ 0 0 73 -16,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.889 108.1 51.6 -65.4 -34.5 12.3 51.0 34.1 80 80 A E H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 109.9 49.9 -65.4 -42.3 13.0 49.9 30.5 81 81 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.918 109.3 50.4 -61.7 -43.7 13.0 46.3 31.6 82 82 A Q H X S+ 0 0 72 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.915 109.6 51.4 -65.3 -36.2 9.7 46.6 33.5 83 83 A D H X S+ 0 0 93 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.897 109.3 51.0 -65.1 -38.1 8.1 48.2 30.4 84 84 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.922 110.5 47.7 -63.4 -45.8 9.3 45.3 28.3 85 85 A I H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.900 109.5 55.1 -61.0 -38.9 7.9 42.7 30.7 86 86 A G H X S+ 0 0 39 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.926 108.4 47.7 -60.9 -44.7 4.7 44.7 30.7 87 87 A S H X S+ 0 0 25 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.841 112.5 48.7 -65.9 -40.0 4.4 44.5 26.9 88 88 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 3,-1.1 0.930 111.5 48.8 -63.0 -47.4 5.1 40.8 26.8 89 89 A H H ><5S+ 0 0 60 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.844 103.8 60.3 -63.6 -32.6 2.5 40.0 29.5 90 90 A S H 3<5S+ 0 0 82 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.735 109.0 45.4 -69.6 -16.3 -0.1 42.1 27.7 91 91 A R T <<5S- 0 0 92 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.108 122.4-107.0-108.1 21.2 0.4 39.6 24.8 92 92 A N T < 5S+ 0 0 148 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.826 73.3 138.8 55.5 42.5 0.3 36.5 27.0 93 93 A V < - 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