==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-NOV-07 3BH4 . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR J.ALIKHAJEH,K.KHAJEH,B.RANJBAR,H.NADERI-MANESH,Y.H.LIN, . 966 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 650 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 87 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.7 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 2 2 0 0 0 2 2 0 2 4 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 6 6 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 9 5 6 0 4 2 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 . 6 0 0 0 4 0 0 2 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 2 A V 0 0 137 0, 0.0 391,-0.1 0, 0.0 392,-0.1 0.000 360.0 360.0 360.0 153.7 61.3 44.0 15.9 2 3 A N - 0 0 36 389,-0.3 2,-0.3 390,-0.3 356,-0.0 -0.337 360.0-126.4 -63.4 142.3 61.3 40.4 17.2 3 4 A G - 0 0 24 33,-0.1 2,-0.4 32,-0.1 32,-0.1 -0.717 26.0-174.8 -92.9 141.9 64.1 39.5 19.6 4 5 A T - 0 0 3 -2,-0.3 32,-2.8 30,-0.3 33,-1.4 -0.982 9.0-153.6-141.2 125.9 66.3 36.6 19.0 5 6 A L E -ab 37 360A 0 354,-3.0 356,-3.0 -2,-0.4 2,-0.4 -0.596 4.4-160.3 -94.9 154.4 69.0 35.2 21.3 6 7 A M E -ab 38 361A 0 31,-1.4 33,-2.7 354,-0.3 2,-0.8 -0.969 15.8-141.5-138.7 123.5 72.1 33.3 20.2 7 8 A Q E -ab 39 362A 0 354,-2.7 356,-1.6 -2,-0.4 2,-1.1 -0.754 23.7-150.3 -78.9 114.9 74.2 31.1 22.5 8 9 A Y + 0 0 6 31,-2.8 2,-0.3 -2,-0.8 -1,-0.1 -0.396 61.1 38.3 -94.1 62.2 77.7 32.0 21.1 9 10 A F - 0 0 0 -2,-1.1 355,-0.5 31,-0.1 354,-0.4 -0.918 59.0-144.8 175.3 164.3 79.7 28.8 21.7 10 11 A E > - 0 0 2 -2,-0.3 3,-1.6 353,-0.2 317,-0.1 -0.882 40.3 -96.7-136.8 169.0 79.6 25.0 21.6 11 12 A W T 3 S+ 0 0 78 -2,-0.3 316,-0.0 1,-0.3 358,-0.0 0.879 122.0 46.0 -57.8 -38.2 81.2 22.4 23.8 12 13 A Y T 3 S+ 0 0 74 2,-0.0 -1,-0.3 -3,-0.0 3,-0.1 0.128 71.9 142.5 -94.9 20.6 84.1 21.9 21.4 13 14 A T < - 0 0 3 -3,-1.6 356,-0.0 1,-0.1 6,-0.0 -0.415 62.6-102.8 -55.6 134.2 84.9 25.5 20.7 14 15 A P - 0 0 59 0, 0.0 2,-1.6 0, 0.0 3,-0.4 -0.294 13.9-125.9 -67.5 147.9 88.7 25.4 20.4 15 16 A N S S+ 0 0 54 1,-0.2 60,-0.1 2,-0.1 35,-0.0 -0.504 73.7 118.4 -88.0 65.2 91.0 26.5 23.2 16 17 A D S S- 0 0 61 -2,-1.6 -1,-0.2 58,-0.2 59,-0.1 0.365 79.4-123.1-109.7 1.0 92.9 28.9 20.9 17 18 A G S S+ 0 0 0 57,-1.4 60,-0.3 -3,-0.4 4,-0.2 0.657 86.2 105.6 65.9 17.4 92.0 32.0 22.8 18 19 A Q > + 0 0 77 -4,-0.2 4,-2.3 56,-0.2 5,-0.1 0.312 40.8 99.9-109.9 8.5 90.4 33.5 19.6 19 20 A H H > S+ 0 0 0 56,-0.4 4,-2.5 55,-0.3 57,-0.2 0.886 81.2 51.1 -65.1 -40.0 86.8 33.2 20.5 20 21 A W H > S+ 0 0 0 55,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.900 112.3 48.9 -64.0 -37.2 86.2 36.8 21.6 21 22 A K H > S+ 0 0 82 54,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.898 108.8 52.9 -67.2 -39.2 87.9 37.9 18.3 22 23 A R H X S+ 0 0 61 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.927 110.0 48.9 -60.4 -44.1 85.6 35.5 16.4 23 24 A L H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 3,-0.2 0.919 110.3 49.9 -62.7 -44.1 82.6 37.1 18.1 24 25 A Q H >< S+ 0 0 61 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.928 112.1 48.0 -60.5 -43.8 83.7 40.6 17.3 25 26 A N H 3< S+ 0 0 131 -4,-2.5 4,-0.3 1,-0.2 3,-0.3 0.750 111.4 51.4 -67.9 -23.9 84.3 39.6 13.6 26 27 A D H 3X S+ 0 0 22 -4,-1.4 4,-2.9 -3,-0.2 5,-0.3 0.520 81.4 98.4 -91.2 -6.7 80.8 38.0 13.5 27 28 A A H S+ 0 0 106 -4,-0.3 4,-2.7 -3,-0.3 -1,-0.2 0.937 113.8 49.4 -61.7 -47.5 77.8 42.4 11.6 29 30 A H H > S+ 0 0 49 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.925 112.0 48.2 -56.5 -49.3 76.7 39.0 10.4 30 31 A L H X>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 4,-0.5 0.917 112.4 48.2 -60.7 -45.3 74.7 38.4 13.6 31 32 A S H ><5S+ 0 0 33 -4,-2.4 3,-1.1 -5,-0.3 -1,-0.2 0.927 110.6 52.3 -61.8 -44.4 73.0 41.8 13.5 32 33 A D H 3<5S+ 0 0 96 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.877 107.5 50.0 -61.2 -40.4 72.1 41.3 9.9 33 34 A I H 3<5S- 0 0 23 -4,-2.1 -1,-0.3 -5,-0.2 359,-0.2 0.517 125.8 -96.5 -79.6 -2.5 70.4 37.9 10.4 34 35 A G T <<5 + 0 0 9 -3,-1.1 2,-0.3 -4,-0.5 -30,-0.3 0.512 68.5 150.8 106.5 2.6 68.3 39.3 13.3 35 36 A I < + 0 0 2 -5,-2.4 -1,-0.3 -6,-0.2 -30,-0.2 -0.551 14.3 175.7 -69.7 129.2 70.2 38.3 16.4 36 37 A T + 0 0 36 -32,-2.8 58,-2.8 -2,-0.3 2,-0.3 0.504 64.1 24.8-112.2 -9.4 69.5 40.9 19.1 37 38 A A E -ac 5 94A 0 -33,-1.4 -31,-1.4 56,-0.3 2,-0.4 -0.978 62.8-153.3-155.7 143.4 71.3 39.4 22.0 38 39 A V E -ac 6 95A 0 56,-2.4 58,-3.0 -2,-0.3 2,-0.7 -0.975 8.4-148.5-123.6 131.5 74.2 37.0 22.5 39 40 A W E -ac 7 96A 3 -33,-2.7 -31,-2.8 -2,-0.4 58,-0.2 -0.883 23.4-158.4 -96.7 115.0 74.8 34.7 25.5 40 41 A I E - c 0 97A 0 56,-2.1 58,-0.6 -2,-0.7 3,-0.1 -0.656 20.9-103.6 -94.6 151.5 78.6 34.4 25.9 41 42 A P - 0 0 0 0, 0.0 57,-0.3 0, 0.0 -1,-0.1 -0.220 64.4 -59.3 -66.8 164.2 80.3 31.5 27.7 42 43 A P - 0 0 1 0, 0.0 33,-0.2 0, 0.0 57,-0.1 -0.194 51.9-160.1 -45.7 127.1 81.7 32.1 31.2 43 44 A A + 0 0 0 55,-0.4 2,-0.2 -3,-0.1 30,-0.1 0.421 56.9 86.9 -95.8 0.2 84.2 34.9 30.8 44 45 A Y S S- 0 0 2 9,-0.2 18,-0.3 18,-0.1 15,-0.2 -0.593 89.3 -73.1-103.9 164.4 86.3 34.4 33.9 45 46 A K E -I 58 0B 0 16,-2.6 12,-2.9 13,-0.8 13,-1.7 -0.284 46.9-160.5 -58.7 121.9 89.3 32.2 34.8 46 47 A G E -I 56 0B 4 2,-0.4 -1,-0.1 10,-0.3 12,-0.1 -0.237 43.7 -81.9 -90.7-175.5 88.5 28.5 35.2 47 48 A L S S+ 0 0 56 8,-1.8 2,-0.3 -2,-0.1 -2,-0.1 0.679 116.3 6.7 -63.2 -17.4 90.6 25.9 37.0 48 49 A S S > S- 0 0 36 7,-0.2 3,-0.7 1,-0.1 -2,-0.4 -0.952 83.7-102.3-155.1 166.8 92.8 25.7 33.9 49 50 A Q T 3 S+ 0 0 59 19,-0.4 -3,-0.1 -2,-0.3 -1,-0.1 0.869 119.9 52.1 -62.9 -37.5 93.1 27.6 30.6 50 51 A S T 3 S+ 0 0 69 23,-0.1 -1,-0.2 24,-0.1 23,-0.0 0.606 81.2 115.6 -76.7 -13.6 91.3 24.8 28.7 51 52 A D S < S- 0 0 32 -3,-0.7 23,-0.4 1,-0.2 -5,-0.2 -0.289 70.4-132.1 -58.1 141.3 88.3 24.8 31.1 52 53 A N - 0 0 16 22,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.558 53.3 -95.9 -72.7 -7.2 85.0 25.8 29.3 53 54 A G S S+ 0 0 3 -5,-0.1 -9,-0.2 -12,-0.1 47,-0.1 0.272 105.0 101.4 111.5 -10.4 84.3 28.2 32.2 54 55 A Y S S+ 0 0 26 1,-0.3 49,-0.1 -12,-0.1 -3,-0.0 0.344 77.1 60.7 -89.2 7.6 82.0 25.9 34.3 55 56 A G S S- 0 0 0 -7,-0.1 -8,-1.8 50,-0.1 -1,-0.3 -0.543 85.7-172.1-125.5 59.7 84.9 25.1 36.6 56 57 A P E +I 46 0B 1 0, 0.0 49,-2.6 0, 0.0 -10,-0.3 -0.352 22.9 173.5 -65.2 131.2 85.4 28.8 37.7 57 58 A Y E S+ 0 0 2 -12,-2.9 2,-0.4 1,-0.2 -11,-0.2 0.853 75.2 14.8 -97.3 -53.2 88.4 29.6 39.9 58 59 A D E > -I 45 0B 1 -13,-1.7 3,-1.7 3,-0.2 -13,-0.8 -0.907 53.4-168.6-134.5 107.4 88.2 33.5 40.0 59 60 A L T 3 S+ 0 0 17 -2,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.671 91.5 58.2 -64.9 -18.0 85.1 35.4 39.0 60 61 A Y T 3 S+ 0 0 10 1,-0.1 2,-0.7 -15,-0.1 -1,-0.3 0.345 88.0 82.5 -94.1 4.8 87.1 38.6 39.1 61 62 A D < + 0 0 0 -3,-1.7 -16,-2.6 -16,-0.1 2,-0.5 -0.837 52.1 176.9-112.4 92.3 89.6 37.4 36.5 62 63 A L S S- 0 0 0 -2,-0.7 19,-0.2 -18,-0.3 11,-0.2 -0.125 80.2 -62.3 -88.0 40.5 88.1 38.0 33.1 63 64 A G S S+ 0 0 2 -2,-0.5 15,-1.6 9,-0.2 16,-0.3 0.875 118.6 107.7 79.9 41.8 91.3 36.8 31.3 64 65 A E + 0 0 60 13,-0.2 2,-0.3 14,-0.1 8,-0.1 0.637 60.3 60.8-120.7 -31.0 93.2 39.6 32.9 65 66 A F S S- 0 0 26 6,-0.4 2,-1.6 5,-0.1 5,-0.1 -0.699 83.9-107.1-109.1 158.4 95.5 38.2 35.6 66 67 A Q + 0 0 120 77,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.639 68.7 135.0 -79.8 88.5 98.3 35.6 35.6 67 68 A Q + 0 0 5 3,-2.0 3,-0.5 -2,-1.6 -9,-0.1 -0.999 58.5 12.8-142.7 139.2 96.4 32.8 37.3 68 69 A K S S- 0 0 63 -2,-0.3 -19,-0.4 1,-0.2 -1,-0.1 0.853 128.7 -60.9 65.6 37.5 96.2 29.1 36.5 69 70 A G S S+ 0 0 73 1,-0.1 2,-0.3 -21,-0.1 -1,-0.2 0.754 122.1 70.0 63.9 27.8 99.1 29.3 34.2 70 71 A T - 0 0 9 -3,-0.5 -3,-2.0 -5,-0.1 -1,-0.1 -0.979 59.0-153.3-166.7 154.8 97.5 31.7 31.8 71 72 A V S S+ 0 0 59 -2,-0.3 -6,-0.4 -5,-0.2 -1,-0.1 0.839 85.8 57.8 -95.5 -58.7 96.3 35.3 31.5 72 73 A R S S- 0 0 53 -8,-0.1 5,-0.2 -9,-0.1 -9,-0.2 -0.197 82.5-128.1 -67.8 159.6 93.6 34.7 28.9 73 74 A T - 0 0 6 3,-2.6 3,-0.3 -11,-0.2 -24,-0.1 -0.281 47.1 -81.1 -91.2-172.7 90.7 32.3 29.5 74 75 A K S S+ 0 0 11 -23,-0.4 -57,-1.4 -26,-0.2 -55,-0.3 0.868 133.8 45.5 -58.7 -33.6 89.9 29.6 27.0 75 76 A Y S S- 0 0 2 1,-0.3 -55,-2.1 -33,-0.2 -56,-0.4 0.710 120.1 -89.1 -85.7 -23.5 88.1 32.3 25.0 76 77 A G - 0 0 0 -3,-0.3 -3,-2.6 -57,-0.2 -1,-0.3 -0.947 55.0 -39.7 145.9-165.8 90.5 35.2 25.1 77 78 A T > - 0 0 34 -2,-0.3 4,-1.9 -60,-0.3 -13,-0.2 -0.480 50.5-109.1 -94.4 166.6 91.5 38.2 27.1 78 79 A K H > S+ 0 0 24 -15,-1.6 4,-2.6 1,-0.2 5,-0.2 0.912 118.6 50.4 -59.9 -44.3 89.4 40.8 28.9 79 80 A S H > S+ 0 0 64 -16,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.880 108.6 51.5 -63.3 -39.5 90.2 43.5 26.4 80 81 A E H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 111.1 49.1 -65.9 -35.2 89.3 41.3 23.4 81 82 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.929 110.9 48.9 -68.9 -44.6 86.0 40.5 25.1 82 83 A Q H X S+ 0 0 69 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.867 110.3 52.2 -63.1 -34.7 85.3 44.2 25.7 83 84 A D H X S+ 0 0 87 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.909 110.4 48.0 -67.0 -40.5 86.2 44.9 22.1 84 85 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.930 111.9 49.0 -64.1 -45.9 83.7 42.2 21.0 85 86 A I H X S+ 0 0 5 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.889 110.0 52.7 -61.9 -38.5 81.0 43.6 23.2 86 87 A G H X S+ 0 0 38 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.917 109.8 47.8 -63.5 -42.3 81.7 47.1 21.9 87 88 A S H X S+ 0 0 27 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.908 112.3 49.1 -64.9 -42.7 81.3 45.9 18.3 88 89 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-1.2 0.943 111.5 49.5 -62.1 -46.4 78.1 44.1 19.1 89 90 A H H ><5S+ 0 0 62 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.855 104.1 59.0 -61.5 -34.8 76.7 47.1 20.9 90 91 A S H 3<5S+ 0 0 90 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.707 109.3 46.0 -67.7 -17.7 77.6 49.3 17.9 91 92 A R T <<5S- 0 0 91 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.062 123.4-104.0-111.1 22.2 75.3 47.0 15.9 92 93 A N T < 5S+ 0 0 142 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.860 76.1 137.8 59.4 40.0 72.5 47.0 18.4 93 94 A V < - 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