==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-06 2GJP . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALMAPALUS; . AUTHOR L.LYHNE-IVERSEN,T.J.HOBLEY,S.G.KAASGAARD,P.HARRIS . 481 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 67.6 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 . 72 15.0 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 . 4 0.8 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 . 51 10.6 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 0 2 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 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 . 5 4 2 2 0 3 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 . 1 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 0 125 0, 0.0 2,-0.1 0, 0.0 389,-0.1 0.000 360.0 360.0 360.0 139.1 9.3 44.7 55.6 2 6 A N - 0 0 28 387,-0.4 2,-0.4 388,-0.3 357,-0.1 -0.386 360.0-133.0 -70.7 135.7 11.4 41.8 56.9 3 7 A G + 0 0 26 -2,-0.1 2,-0.4 32,-0.1 32,-0.1 -0.700 27.9 175.6 -83.9 132.3 12.4 41.8 60.6 4 8 A T - 0 0 2 -2,-0.4 32,-2.9 30,-0.2 33,-1.3 -0.953 10.0-162.3-137.0 127.0 16.0 41.1 61.3 5 9 A M E -ab 37 361A 0 355,-2.8 357,-2.9 -2,-0.4 2,-0.4 -0.636 3.9-153.3-102.6 161.4 17.7 41.2 64.7 6 10 A M E -ab 38 362A 1 31,-1.5 33,-3.1 355,-0.3 2,-0.9 -0.991 16.4-136.2-131.2 128.6 21.3 41.4 65.6 7 11 A Q E -ab 39 363A 1 355,-2.4 357,-1.9 -2,-0.4 2,-1.2 -0.723 24.9-154.3 -73.7 108.4 22.8 40.1 68.8 8 12 A Y + 0 0 5 31,-2.8 2,-0.3 -2,-0.9 -1,-0.1 -0.330 59.8 47.0 -95.8 58.9 25.0 43.1 69.4 9 13 A F - 0 0 0 -2,-1.2 356,-0.5 31,-0.1 355,-0.4 -0.961 55.7-154.3-172.6 165.3 27.7 41.5 71.5 10 14 A E > - 0 0 5 -2,-0.3 3,-1.0 354,-0.2 318,-0.1 -0.917 37.8-104.5-140.5 168.4 30.1 38.5 71.8 11 15 A W T 3 S+ 0 0 68 -2,-0.3 -1,-0.1 1,-0.2 317,-0.0 0.879 113.8 48.3 -62.1 -39.8 31.7 37.0 74.8 12 16 A H T 3 S+ 0 0 63 -3,-0.0 -1,-0.2 2,-0.0 360,-0.1 0.078 70.9 139.2 -99.0 25.9 35.2 38.4 74.2 13 17 A L < - 0 0 8 -3,-1.0 2,-0.0 1,-0.1 357,-0.0 -0.343 65.3 -93.5 -54.4 148.1 34.4 42.1 73.6 14 18 A P - 0 0 68 0, 0.0 2,-1.6 0, 0.0 3,-0.3 -0.351 24.7-123.3 -68.0 149.4 37.0 44.2 75.3 15 19 A N S S+ 0 0 56 1,-0.2 60,-0.1 2,-0.1 35,-0.1 -0.595 73.1 120.1 -87.2 73.9 36.3 45.5 78.8 16 20 A D S S- 0 0 66 -2,-1.6 -1,-0.2 58,-0.4 59,-0.1 0.321 77.1-121.9-121.1 1.8 36.8 49.1 77.9 17 21 A G S S+ 0 0 6 57,-1.7 60,-0.3 -3,-0.3 58,-0.2 0.720 86.5 106.6 65.5 22.4 33.4 50.6 78.7 18 22 A Q > + 0 0 73 56,-0.3 4,-2.2 -4,-0.3 5,-0.2 0.375 42.3 96.9-114.2 2.1 33.0 51.7 75.2 19 23 A H H > S+ 0 0 1 55,-0.4 4,-2.8 1,-0.2 5,-0.2 0.924 82.7 48.5 -67.2 -47.3 30.4 49.2 73.9 20 24 A W H > S+ 0 0 0 55,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.882 112.7 51.3 -57.9 -39.6 27.3 51.3 74.3 21 25 A N H > S+ 0 0 16 54,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.891 109.5 49.2 -62.4 -43.6 29.1 54.1 72.5 22 26 A R H X S+ 0 0 80 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.921 111.9 49.1 -62.0 -43.3 30.1 51.9 69.7 23 27 A L H >X S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 4,-0.8 0.951 109.1 52.1 -61.7 -47.9 26.5 50.7 69.4 24 28 A R H >< S+ 0 0 95 -4,-2.9 3,-1.0 1,-0.2 4,-0.4 0.922 111.2 48.5 -48.7 -42.9 25.2 54.3 69.4 25 29 A D H 3< S+ 0 0 130 -4,-2.0 4,-0.3 1,-0.3 -1,-0.2 0.694 111.8 48.5 -79.6 -17.3 27.6 55.1 66.6 26 30 A D H S+ 0 0 60 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.923 113.3 48.2 -70.7 -46.3 22.6 54.4 61.6 29 33 A N H > S+ 0 0 43 -4,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.934 109.2 55.1 -58.6 -43.3 24.6 51.8 59.8 30 34 A L H >X>S+ 0 0 1 -4,-3.3 5,-2.3 1,-0.2 3,-0.6 0.937 107.9 47.7 -57.4 -48.0 22.5 49.0 61.4 31 35 A R H ><5S+ 0 0 71 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.933 109.0 54.9 -59.7 -45.5 19.3 50.5 60.1 32 36 A N H 3<5S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.795 105.6 52.8 -54.2 -33.2 20.8 50.9 56.6 33 37 A R H <<5S- 0 0 79 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.500 124.8-102.3 -85.2 -8.2 21.7 47.2 56.5 34 38 A G T <<5 + 0 0 4 -3,-1.7 2,-0.4 -4,-0.5 -3,-0.2 0.570 68.9 150.4 98.5 11.7 18.2 46.2 57.4 35 39 A I < + 0 0 4 -5,-2.3 -1,-0.3 -6,-0.2 -30,-0.2 -0.639 16.1 175.8 -75.5 130.8 18.6 45.4 61.1 36 40 A T + 0 0 26 -32,-2.9 58,-3.1 -2,-0.4 2,-0.3 0.533 62.7 29.4-115.4 -8.0 15.3 46.2 62.8 37 41 A A E -ac 5 94A 0 -33,-1.3 -31,-1.5 56,-0.3 2,-0.4 -0.986 63.1-154.3-152.0 144.3 16.0 45.0 66.4 38 42 A I E -ac 6 95A 0 56,-2.5 58,-2.9 -2,-0.3 2,-0.7 -0.988 8.1-149.0-124.4 127.1 19.2 44.9 68.4 39 43 A W E -ac 7 96A 1 -33,-3.1 -31,-2.8 -2,-0.4 58,-0.2 -0.897 22.2-157.9 -98.6 118.2 19.6 42.5 71.3 40 44 A I E - c 0 97A 0 56,-2.3 58,-0.9 -2,-0.7 190,-0.1 -0.660 17.8-106.5 -99.3 151.2 21.9 44.1 73.8 41 45 A P - 0 0 0 0, 0.0 57,-0.2 0, 0.0 -1,-0.1 -0.176 61.9 -59.8 -65.6 168.6 24.0 42.4 76.4 42 46 A P - 0 0 0 0, 0.0 33,-0.2 0, 0.0 4,-0.1 -0.269 50.0-161.6 -45.6 127.2 23.0 42.5 80.1 43 47 A A + 0 0 0 55,-0.3 30,-0.1 -3,-0.1 2,-0.1 0.533 57.6 83.9 -96.3 -9.3 23.0 46.1 81.0 44 48 A W S S- 0 0 1 18,-0.1 2,-0.3 1,-0.1 18,-0.2 -0.321 91.7 -72.6 -94.8 176.7 23.3 45.7 84.8 45 49 A K B -I 58 0B 0 16,-1.4 13,-2.2 13,-1.3 12,-1.6 -0.492 49.2-170.0 -73.6 123.2 26.1 45.2 87.3 46 50 A G - 0 0 4 2,-0.4 -1,-0.1 -2,-0.3 8,-0.1 -0.121 48.8 -71.3 -92.3-158.5 27.6 41.7 87.2 47 51 A T S S- 0 0 40 1,-0.1 2,-0.3 -2,-0.1 3,-0.1 0.653 113.9 -3.1 -80.7 -14.3 30.0 40.2 89.7 48 52 A S S > S- 0 0 42 1,-0.1 3,-1.4 21,-0.0 -2,-0.4 -0.958 84.4 -90.3-159.2 176.1 32.8 42.4 88.4 49 53 A Q T 3 S+ 0 0 56 19,-0.5 25,-0.1 -2,-0.3 -32,-0.1 0.909 123.5 50.4 -61.7 -42.8 33.5 44.9 85.8 50 54 A N T 3 S+ 0 0 101 23,-0.1 -1,-0.3 24,-0.1 2,-0.1 0.512 79.8 123.2 -81.2 5.1 34.6 42.4 83.2 51 55 A D < - 0 0 24 -3,-1.4 23,-0.5 1,-0.2 -5,-0.2 -0.377 66.9-135.0 -62.0 128.4 31.5 40.2 83.7 52 56 A V - 0 0 5 1,-0.1 -1,-0.2 -2,-0.1 23,-0.1 0.807 56.2 -99.1 -54.9 -26.0 29.7 39.7 80.4 53 57 A G S > S+ 0 0 3 -12,-0.1 3,-1.6 -10,-0.1 -9,-0.1 0.123 103.8 101.2 133.1 -18.7 26.6 40.4 82.6 54 58 A Y T 3 + 0 0 21 1,-0.3 49,-0.1 2,-0.1 -3,-0.0 0.585 63.8 81.1 -79.1 -8.1 25.2 37.0 83.3 55 59 A G T 3 S- 0 0 2 -7,-0.1 50,-1.4 49,-0.1 -1,-0.3 0.570 83.9-160.3 -62.6 -12.1 26.8 37.1 86.8 56 60 A A < + 0 0 1 -3,-1.6 49,-0.8 48,-0.2 -10,-0.2 0.777 29.2 157.9 29.6 70.4 23.7 39.2 87.6 57 61 A Y S S+ 0 0 2 -12,-1.6 2,-0.4 1,-0.2 -11,-0.2 0.946 70.9 6.4 -77.9 -57.4 24.7 41.1 90.8 58 62 A D B > -I 45 0B 1 -13,-2.2 3,-1.7 3,-0.2 -13,-1.3 -0.849 54.3-169.4-136.4 103.1 22.4 44.1 90.8 59 63 A L T 3 S+ 0 0 9 -2,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.579 90.1 56.7 -64.1 -12.4 19.6 44.4 88.2 60 64 A Y T 3 S+ 0 0 6 1,-0.1 2,-0.8 -15,-0.1 -1,-0.3 0.396 88.3 82.5 -99.5 2.4 19.0 48.0 89.2 61 65 A D < + 0 0 0 -3,-1.7 -16,-1.4 -16,-0.1 -3,-0.2 -0.852 52.7 176.8-107.8 96.8 22.6 49.2 88.6 62 66 A L S S- 0 0 0 -2,-0.8 19,-0.2 -18,-0.2 11,-0.2 -0.080 80.8 -58.9 -94.1 37.7 22.8 49.9 84.9 63 67 A G S S+ 0 0 2 14,-0.2 15,-1.6 9,-0.2 16,-0.3 0.835 118.7 107.7 89.1 41.9 26.4 51.1 85.1 64 68 A E + 0 0 61 13,-0.2 2,-0.3 1,-0.2 8,-0.1 0.628 60.8 54.0-123.0 -29.7 25.3 53.8 87.5 65 69 A F S S- 0 0 26 6,-0.4 2,-1.3 5,-0.1 -1,-0.2 -0.839 83.6-107.3-119.7 153.7 26.5 53.0 91.0 66 70 A N + 0 0 112 77,-0.5 2,-0.3 -2,-0.3 5,-0.3 -0.672 65.6 137.2 -80.2 97.3 29.8 52.2 92.5 67 71 A Q B > +J 70 0C 7 3,-2.4 3,-1.4 -2,-1.3 -9,-0.1 -0.996 56.9 15.2-142.9 144.5 29.4 48.5 93.1 68 72 A K T 3 S- 0 0 67 -2,-0.3 -19,-0.5 1,-0.3 -1,-0.1 0.852 132.1 -57.1 60.3 32.4 31.6 45.4 92.6 69 73 A G T 3 S+ 0 0 75 1,-0.1 2,-0.3 -21,-0.1 -1,-0.3 0.523 122.1 69.3 85.9 6.7 34.6 47.7 92.2 70 74 A T B < -J 67 0C 9 -3,-1.4 -3,-2.4 1,-0.2 -1,-0.1 -0.992 56.6-153.4-153.8 152.8 33.2 49.7 89.3 71 75 A V S S+ 0 0 66 -2,-0.3 -6,-0.4 -5,-0.3 -1,-0.2 0.851 87.7 54.7 -89.4 -61.0 30.7 52.3 88.3 72 76 A R S S- 0 0 50 -8,-0.1 5,-0.2 -9,-0.1 -9,-0.2 -0.242 82.6-129.0 -63.2 155.7 30.3 51.3 84.6 73 77 A T - 0 0 6 3,-2.2 3,-0.5 -11,-0.2 -24,-0.1 -0.232 48.1 -81.1 -79.4-171.5 29.5 47.7 83.6 74 78 A K S S+ 0 0 12 -23,-0.5 -57,-1.7 -26,-0.2 -58,-0.4 0.851 132.6 46.4 -58.4 -32.9 31.7 46.1 80.9 75 79 A Y S S- 0 0 1 1,-0.3 -55,-2.4 -33,-0.2 -54,-0.4 0.622 119.9 -89.5 -93.5 -17.0 29.9 47.9 78.2 76 80 A G - 0 0 0 -3,-0.5 -3,-2.2 -57,-0.2 -1,-0.3 -0.902 55.9 -38.8 138.1-167.8 29.7 51.4 79.7 77 81 A T > - 0 0 37 -60,-0.3 4,-2.1 -2,-0.3 -13,-0.2 -0.436 53.6-104.6 -92.4 172.1 27.6 53.6 81.9 78 82 A R H > S+ 0 0 45 -15,-1.6 4,-2.5 1,-0.2 5,-0.2 0.873 120.6 50.9 -62.9 -37.9 23.9 54.0 82.1 79 83 A S H > S+ 0 0 74 -16,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.862 108.0 51.5 -73.8 -33.8 23.9 57.3 80.2 80 84 A Q H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 111.5 50.5 -65.9 -35.7 26.0 55.8 77.4 81 85 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 -19,-0.2 -2,-0.2 0.948 109.6 47.1 -63.4 -47.9 23.4 53.1 77.3 82 86 A E H X S+ 0 0 74 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.908 111.5 52.5 -64.7 -35.6 20.4 55.4 77.1 83 87 A S H X S+ 0 0 47 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.915 108.0 50.6 -72.7 -29.9 22.1 57.4 74.4 84 88 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.931 112.1 48.1 -62.6 -45.0 22.7 54.2 72.4 85 89 A I H X S+ 0 0 7 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.921 110.5 51.6 -64.5 -40.8 19.0 53.2 72.8 86 90 A H H X S+ 0 0 116 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.952 110.9 47.3 -61.1 -45.8 18.0 56.7 71.7 87 91 A A H X S+ 0 0 18 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.941 114.1 47.6 -63.8 -43.9 20.2 56.5 68.6 88 92 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 3,-0.9 0.944 113.5 46.8 -61.1 -47.6 18.8 53.1 67.7 89 93 A K H ><5S+ 0 0 53 -4,-3.1 3,-1.6 1,-0.3 -1,-0.2 0.865 107.7 56.6 -66.5 -33.8 15.2 54.2 68.3 90 94 A N H 3<5S+ 0 0 106 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.694 108.4 49.4 -68.6 -18.7 15.8 57.3 66.2 91 95 A N T <<5S- 0 0 49 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.236 123.4-107.5 -99.8 11.6 16.9 55.0 63.5 92 96 A G T < 5S+ 0 0 56 -3,-1.6 2,-0.5 1,-0.3 -3,-0.2 0.863 74.0 138.5 70.4 33.9 13.8 52.9 63.8 93 97 A V < - 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