==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-APR-03 1UD3 . COMPND 2 MOLECULE: AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP. KSM-K38; . AUTHOR T.NONAKA,M.FUJIHASHI,A.KITA,H.HAGIHARA,K.OZAKI,S.ITO,K.MIKI . 480 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 42 8.8 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 . 97 20.2 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 2 0 0 0 0 0 1 1 0 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 . 4 5 2 2 1 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 D 0 0 204 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-136.3 -6.7 28.5 80.9 2 2 A G + 0 0 57 1,-0.3 3,-0.1 414,-0.0 414,-0.0 0.242 360.0 146.5 79.2 -15.9 -6.3 31.9 79.4 3 3 A L - 0 0 81 1,-0.1 -1,-0.3 390,-0.0 386,-0.1 -0.273 54.7-109.0 -56.8 133.4 -3.5 32.7 81.9 4 4 A N - 0 0 29 384,-0.3 2,-0.4 385,-0.3 -1,-0.1 -0.179 34.8-115.3 -59.1 156.6 -0.8 34.9 80.5 5 5 A G - 0 0 24 -3,-0.1 2,-0.4 33,-0.1 -1,-0.1 -0.827 31.1-178.0-102.4 134.7 2.6 33.3 79.9 6 6 A T - 0 0 3 -2,-0.4 32,-2.8 30,-0.1 33,-1.7 -0.967 8.0-160.3-135.5 120.1 5.7 34.1 81.8 7 7 A M E -ab 39 360A 0 352,-2.8 354,-2.9 -2,-0.4 2,-0.3 -0.529 3.3-160.9 -91.9 158.3 9.1 32.6 81.2 8 8 A M E -ab 40 361A 0 31,-1.6 33,-2.7 352,-0.3 2,-1.0 -0.948 17.4-141.9-146.4 124.7 12.0 32.5 83.6 9 9 A Q E -ab 41 362A 0 352,-2.4 354,-1.9 -2,-0.3 2,-1.7 -0.755 23.7-152.3 -82.3 104.7 15.7 31.9 82.8 10 10 A Y + 0 0 5 31,-1.8 2,-0.3 -2,-1.0 -1,-0.1 -0.365 62.3 42.3 -84.0 61.6 16.6 29.9 85.9 11 11 A Y - 0 0 0 -2,-1.7 353,-0.5 31,-0.1 352,-0.4 -0.915 58.8-148.3 175.2 161.9 20.3 30.7 86.3 12 12 A E > - 0 0 4 -2,-0.3 3,-1.6 351,-0.2 315,-0.1 -0.933 38.1-101.8-140.5 159.0 22.8 33.5 86.2 13 13 A W T 3 S+ 0 0 69 -2,-0.3 314,-0.1 1,-0.3 -1,-0.0 0.833 116.9 46.4 -54.1 -40.8 26.5 33.4 85.2 14 14 A H T 3 S+ 0 0 61 2,-0.0 -1,-0.3 -3,-0.0 357,-0.1 0.093 75.8 143.2 -93.9 23.2 28.0 33.5 88.7 15 15 A L < - 0 0 16 -3,-1.6 2,-0.2 1,-0.1 354,-0.0 -0.231 63.7 -91.6 -54.6 155.4 25.7 30.8 90.2 16 16 A E - 0 0 145 1,-0.1 2,-1.8 2,-0.0 3,-0.3 -0.495 26.0-130.3 -73.8 139.0 27.7 28.6 92.7 17 17 A N + 0 0 50 1,-0.2 -1,-0.1 -2,-0.2 60,-0.1 -0.450 69.4 121.8 -87.0 65.5 29.3 25.5 91.3 18 18 A D S S- 0 0 67 -2,-1.8 -1,-0.2 58,-0.1 59,-0.1 0.340 74.6-125.5-107.3 3.7 27.9 23.3 94.0 19 19 A G S S+ 0 0 1 57,-1.3 60,-0.3 -3,-0.3 4,-0.2 0.692 85.0 103.7 60.5 19.9 26.0 20.9 91.7 20 20 A Q > + 0 0 87 -4,-0.2 4,-2.1 56,-0.2 5,-0.2 0.380 42.3 100.6-111.6 3.7 22.7 21.5 93.6 21 21 A H H > S+ 0 0 1 55,-0.3 4,-2.6 1,-0.2 5,-0.2 0.892 80.5 51.9 -58.1 -44.0 21.0 23.8 91.1 22 22 A W H > S+ 0 0 0 55,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.943 110.5 50.3 -58.4 -44.6 18.7 21.1 89.7 23 23 A N H > S+ 0 0 27 54,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.886 108.8 51.6 -60.2 -39.0 17.6 20.2 93.2 24 24 A R H X S+ 0 0 71 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.924 109.4 50.1 -62.6 -44.2 16.9 23.9 93.9 25 25 A L H X S+ 0 0 2 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.920 108.4 53.4 -59.8 -45.0 14.8 24.1 90.8 26 26 A H H >< S+ 0 0 44 -4,-2.6 3,-0.9 1,-0.2 4,-0.3 0.949 112.7 43.1 -54.1 -52.2 12.9 21.0 91.9 27 27 A D H 3< S+ 0 0 113 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.735 112.1 54.4 -67.3 -24.9 12.1 22.5 95.3 28 28 A D H 3X S+ 0 0 25 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.584 81.1 94.6 -87.5 -10.0 11.2 25.9 93.8 29 29 A A H S+ 0 0 56 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.920 116.4 47.2 -55.0 -46.8 5.5 25.1 93.4 31 31 A A H > S+ 0 0 54 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.872 111.1 50.9 -64.7 -39.3 6.6 28.6 94.4 32 32 A L H X>S+ 0 0 1 -4,-2.8 5,-2.6 2,-0.2 4,-0.9 0.932 112.0 46.8 -65.9 -44.2 7.5 29.6 90.9 33 33 A S H ><5S+ 0 0 31 -4,-2.6 3,-1.7 -5,-0.2 -2,-0.2 0.975 111.9 50.0 -60.4 -54.6 4.1 28.4 89.6 34 34 A D H 3<5S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.848 107.9 55.9 -52.4 -36.0 2.2 30.2 92.3 35 35 A A H 3<5S- 0 0 14 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.700 128.8 -93.0 -72.7 -19.2 4.2 33.3 91.6 36 36 A G T <<5S+ 0 0 3 -3,-1.7 2,-0.5 -4,-0.9 -3,-0.2 0.492 76.9 140.4 120.4 5.3 3.1 33.4 88.0 37 37 A I < + 0 0 2 -5,-2.6 -1,-0.3 -6,-0.2 -30,-0.2 -0.694 16.0 168.7 -84.3 127.6 5.9 31.5 86.2 38 38 A T + 0 0 22 -32,-2.8 58,-3.0 -2,-0.5 2,-0.3 0.561 63.5 35.2-113.5 -13.5 4.6 29.2 83.4 39 39 A A E -ac 7 96A 0 -33,-1.7 -31,-1.6 56,-0.3 2,-0.5 -0.991 61.7-154.9-147.3 135.9 7.8 28.3 81.6 40 40 A I E -ac 8 97A 0 56,-3.1 58,-2.6 -2,-0.3 2,-0.7 -0.941 5.4-155.3-114.4 124.8 11.4 27.7 82.7 41 41 A W E -ac 9 98A 2 -33,-2.7 -31,-1.8 -2,-0.5 58,-0.2 -0.887 20.5-157.6 -96.4 112.4 14.4 28.1 80.4 42 42 A I E - c 0 99A 1 56,-2.3 58,-1.0 -2,-0.7 3,-0.1 -0.647 18.6-108.9 -91.4 150.8 17.1 25.9 81.8 43 43 A P - 0 0 0 0, 0.0 57,-0.3 0, 0.0 -1,-0.1 -0.168 62.0 -59.6 -69.5 169.3 20.9 26.4 81.1 44 44 A P - 0 0 1 0, 0.0 57,-0.1 0, 0.0 4,-0.1 -0.327 55.1-161.1 -50.2 124.1 22.7 24.0 78.8 45 45 A A + 0 0 0 55,-0.4 2,-0.2 -3,-0.1 30,-0.1 0.463 55.1 89.4 -93.2 0.0 22.3 20.8 80.7 46 46 A Y S S- 0 0 3 9,-0.2 18,-0.3 18,-0.1 15,-0.2 -0.534 89.8 -72.7 -99.1 163.1 25.1 18.8 79.0 47 47 A K E -I 60 0B 1 16,-3.1 12,-2.3 13,-0.8 13,-2.3 -0.262 52.2-168.5 -57.1 121.3 28.8 18.3 79.9 48 48 A G E -I 58 0B 5 2,-0.3 10,-0.2 10,-0.3 -1,-0.1 -0.270 45.5 -72.2 -99.3-170.7 30.9 21.3 79.1 49 49 A N S S+ 0 0 69 8,-1.6 2,-0.3 -2,-0.1 9,-0.1 0.751 115.9 0.0 -54.4 -28.8 34.7 21.9 79.0 50 50 A S S > S- 0 0 46 7,-0.1 3,-1.9 1,-0.1 -2,-0.3 -0.978 81.0 -98.3-156.8 161.5 34.8 21.7 82.8 51 51 A Q T 3 S+ 0 0 60 19,-0.5 25,-0.1 -2,-0.3 -32,-0.1 0.881 122.5 50.0 -50.6 -42.4 32.5 21.1 85.7 52 52 A A T 3 S+ 0 0 50 23,-0.1 -1,-0.3 24,-0.1 23,-0.1 0.518 80.4 123.5 -78.3 -5.0 32.3 24.9 86.4 53 53 A D < - 0 0 38 -3,-1.9 23,-0.4 1,-0.2 -5,-0.2 -0.323 66.4-134.2 -59.1 136.0 31.5 25.8 82.8 54 54 A V - 0 0 8 1,-0.1 -1,-0.2 22,-0.1 23,-0.0 0.730 56.2 -94.3 -64.3 -19.3 28.2 27.7 82.6 55 55 A G S S+ 0 0 3 -12,-0.1 -9,-0.2 -5,-0.1 3,-0.2 0.182 106.5 94.1 129.4 -19.2 27.2 25.4 79.8 56 56 A Y + 0 0 27 1,-0.2 2,-1.3 2,-0.1 49,-0.1 0.664 69.7 74.2 -80.4 -16.7 28.2 27.2 76.6 57 57 A G S S- 0 0 4 -7,-0.1 -8,-1.6 49,-0.0 -1,-0.2 -0.368 84.7-167.4 -89.4 54.4 31.7 25.5 76.3 58 58 A A E +I 48 0B 1 -2,-1.3 49,-2.1 -10,-0.2 -10,-0.3 -0.239 24.8 164.9 -54.1 117.7 29.7 22.5 75.2 59 59 A Y E + 0 0 0 -12,-2.3 2,-0.5 47,-0.2 -11,-0.2 0.877 68.6 12.9 -97.5 -61.3 31.7 19.3 75.2 60 60 A D E > -I 47 0B 1 -13,-2.3 3,-1.8 3,-0.2 -13,-0.8 -0.884 51.9-167.9-130.6 107.3 29.2 16.4 75.0 61 61 A L T 3 S+ 0 0 11 -2,-0.5 -1,-0.1 1,-0.3 -16,-0.1 0.657 92.8 54.0 -62.2 -18.0 25.6 16.9 74.2 62 62 A Y T 3 S+ 0 0 10 1,-0.1 2,-0.9 -15,-0.1 -1,-0.3 0.469 90.0 83.8 -95.1 -4.3 24.7 13.4 75.2 63 63 A D < + 0 0 0 -3,-1.8 -16,-3.1 -16,-0.1 2,-0.2 -0.797 50.0 174.7-103.5 93.5 26.3 13.7 78.7 64 64 A L S S- 0 0 0 -2,-0.9 11,-0.2 -18,-0.3 19,-0.2 -0.091 79.6 -64.3 -88.5 37.1 23.7 15.3 80.9 65 65 A G S S+ 0 0 2 -2,-0.2 15,-1.8 9,-0.2 16,-0.3 0.909 115.1 110.1 80.6 47.2 25.9 15.0 84.0 66 66 A E + 0 0 70 13,-0.2 2,-0.3 1,-0.2 8,-0.1 0.595 64.6 51.4-124.4 -26.6 25.8 11.2 83.8 67 67 A F S S- 0 0 29 6,-0.4 2,-1.2 5,-0.1 -1,-0.2 -0.833 84.7-107.9-118.0 155.8 29.4 10.2 82.7 68 68 A N + 0 0 106 77,-0.3 2,-0.3 -2,-0.3 77,-0.3 -0.682 64.2 133.7 -84.4 98.3 32.8 11.0 84.0 69 69 A Q B > +J 72 0C 10 3,-2.3 3,-0.7 -2,-1.2 -9,-0.1 -0.988 57.5 20.5-145.2 151.0 34.3 13.3 81.4 70 70 A K T 3 S- 0 0 56 -2,-0.3 -19,-0.5 1,-0.2 -1,-0.1 0.704 133.7 -56.9 63.0 21.9 36.1 16.6 81.5 71 71 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 -21,-0.1 -1,-0.2 0.725 122.2 64.5 85.2 24.6 37.1 15.9 85.1 72 72 A T B < -J 69 0C 10 -3,-0.7 -3,-2.3 1,-0.1 -1,-0.2 -0.966 58.5-149.0-170.8 153.2 33.6 15.5 86.5 73 73 A V S S+ 0 0 67 -2,-0.3 -6,-0.4 -5,-0.3 -7,-0.1 0.886 87.9 52.8 -90.0 -60.9 30.4 13.3 86.4 74 74 A R S S- 0 0 47 -8,-0.1 5,-0.2 -9,-0.1 -9,-0.2 -0.219 84.4-124.0 -70.9 162.2 27.8 16.0 87.2 75 75 A T - 0 0 6 3,-2.4 3,-0.3 -11,-0.2 -24,-0.1 -0.315 45.6 -84.5 -91.2-175.2 27.6 19.3 85.2 76 76 A K S S+ 0 0 14 -23,-0.4 -57,-1.3 -26,-0.2 -55,-0.3 0.878 132.4 46.0 -59.0 -36.3 27.8 22.6 87.1 77 77 A Y S S- 0 0 3 1,-0.2 -55,-2.3 -58,-0.2 -54,-0.4 0.693 120.7 -91.4 -82.3 -22.5 24.1 22.3 87.9 78 78 A G - 0 0 0 -3,-0.3 -3,-2.4 -57,-0.2 -1,-0.2 -0.934 54.5 -34.7 144.1-167.4 24.0 18.7 88.9 79 79 A T > - 0 0 41 -60,-0.3 4,-2.2 -2,-0.3 3,-0.4 -0.519 50.8-111.4 -92.2 159.3 23.4 15.1 87.8 80 80 A K H > S+ 0 0 16 -15,-1.8 4,-2.7 1,-0.2 5,-0.2 0.878 118.8 53.7 -54.6 -41.1 21.1 13.8 85.0 81 81 A A H > S+ 0 0 62 -16,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.873 108.9 47.3 -65.2 -36.9 19.0 12.1 87.7 82 82 A Q H > S+ 0 0 44 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.849 111.9 51.9 -72.7 -33.0 18.5 15.3 89.6 83 83 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.961 111.0 46.1 -64.8 -52.0 17.7 17.2 86.4 84 84 A E H X S+ 0 0 73 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.894 111.8 52.4 -57.1 -42.3 15.0 14.6 85.4 85 85 A R H X S+ 0 0 122 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.897 110.1 49.1 -61.3 -41.4 13.7 14.8 89.0 86 86 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 3,-0.2 0.950 108.7 51.3 -63.6 -51.1 13.4 18.6 88.7 87 87 A I H X S+ 0 0 11 -4,-2.8 4,-3.1 1,-0.3 5,-0.2 0.892 106.9 55.5 -54.0 -41.2 11.7 18.5 85.3 88 88 A G H X S+ 0 0 39 -4,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.922 108.7 47.2 -58.4 -42.9 9.2 16.1 86.9 89 89 A S H X S+ 0 0 18 -4,-1.7 4,-0.6 -3,-0.2 -2,-0.2 0.901 111.8 50.6 -65.5 -41.2 8.5 18.6 89.6 90 90 A L H ><>S+ 0 0 0 -4,-2.6 5,-1.8 2,-0.2 3,-1.2 0.957 110.7 49.0 -60.8 -49.9 8.1 21.4 87.0 91 91 A K H ><5S+ 0 0 59 -4,-3.1 3,-2.0 1,-0.3 -2,-0.2 0.929 108.6 51.3 -55.7 -51.1 5.7 19.4 85.0 92 92 A S H 3<5S+ 0 0 90 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.623 109.4 53.9 -64.9 -10.9 3.4 18.4 87.9 93 93 A N T <<5S- 0 0 41 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.057 121.6-104.8-109.9 22.6 3.3 22.1 88.8 94 94 A D T < 5S+ 0 0 134 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.861 73.7 139.3 59.2 41.9 2.2 23.2 85.3 95 95 A I < - 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