==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAR-06 2DIE . COMPND 2 MOLECULE: AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR T.SHIRAI,K.IGARASHI,T.OZAWA,H.HAGIHARA,T.KOBAYASHI,K.OZAKI, . 481 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17284.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 65.5 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 . 69 14.3 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 . 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 . 51 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 0 0 1 1 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 . 5 4 3 1 1 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 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 5 A T 0 0 138 0, 0.0 2,-0.5 0, 0.0 389,-0.1 0.000 360.0 360.0 360.0 151.7 35.6 -9.1 21.0 2 6 A N - 0 0 34 387,-0.3 2,-0.1 388,-0.3 357,-0.0 -0.562 360.0-135.2 -71.9 116.9 32.1 -7.6 20.4 3 7 A G + 0 0 24 -2,-0.5 2,-0.3 33,-0.1 32,-0.1 -0.444 25.5 179.5 -73.5 146.6 31.9 -6.3 16.8 4 8 A T - 0 0 3 30,-0.2 32,-2.7 -2,-0.1 33,-1.3 -0.937 6.8-164.6-149.5 122.2 30.3 -2.9 16.3 5 9 A M E -ab 37 361A 0 355,-2.5 357,-2.4 -2,-0.3 2,-0.4 -0.580 6.3-148.4-103.5 170.4 29.9 -1.1 13.0 6 10 A M E -ab 38 362A 2 31,-1.1 33,-2.2 355,-0.3 2,-1.2 -0.980 16.4-135.5-142.4 125.6 29.0 2.5 12.2 7 11 A Q E -ab 39 363A 3 355,-2.2 357,-1.9 -2,-0.4 2,-1.7 -0.711 27.1-155.8 -76.8 103.7 27.1 4.1 9.4 8 12 A Y + 0 0 4 31,-2.0 2,-0.3 -2,-1.2 -1,-0.1 -0.327 61.6 42.1 -84.9 57.6 29.6 6.9 8.8 9 13 A F - 0 0 0 -2,-1.7 356,-0.5 31,-0.1 355,-0.5 -0.923 58.0-152.7 177.3 162.3 27.2 9.3 7.1 10 14 A E > - 0 0 5 -2,-0.3 3,-1.0 354,-0.2 318,-0.0 -0.867 39.9 -98.3-139.4 169.9 23.7 10.8 7.2 11 15 A W T 3 S+ 0 0 73 -2,-0.3 359,-0.0 1,-0.2 317,-0.0 0.811 115.2 48.5 -65.4 -33.7 21.5 12.3 4.5 12 16 A H T 3 S+ 0 0 62 2,-0.0 -1,-0.2 40,-0.0 360,-0.1 -0.010 72.2 144.8-102.3 32.2 22.2 15.9 5.0 13 17 A L < - 0 0 10 -3,-1.0 2,-0.1 1,-0.1 357,-0.0 -0.302 60.2 -94.9 -61.1 151.0 26.0 15.9 5.2 14 18 A P - 0 0 68 0, 0.0 2,-1.7 0, 0.0 3,-0.4 -0.430 23.2-126.2 -73.9 147.2 27.5 19.0 3.7 15 19 A N S S+ 0 0 47 1,-0.2 60,-0.1 -2,-0.1 35,-0.0 -0.567 73.1 117.7 -88.8 72.1 28.7 19.0 0.1 16 20 A D S S- 0 0 64 -2,-1.7 -1,-0.2 58,-0.3 59,-0.1 0.365 76.9-123.0-118.6 0.5 32.2 20.2 0.9 17 21 A G S S+ 0 0 4 57,-1.5 60,-0.3 -3,-0.4 58,-0.2 0.695 84.9 103.5 65.7 20.9 34.2 17.3 -0.3 18 22 A N > + 0 0 74 -4,-0.2 4,-2.0 56,-0.2 58,-0.1 0.272 42.0 99.9-115.7 10.5 35.9 16.8 3.1 19 23 A H H > S+ 0 0 1 56,-0.5 4,-2.4 55,-0.3 5,-0.2 0.880 84.4 48.2 -66.5 -38.8 34.0 13.7 4.4 20 24 A W H > S+ 0 0 0 55,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.889 111.3 53.1 -66.5 -36.9 36.7 11.2 3.5 21 25 A N H > S+ 0 0 23 54,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.884 109.3 48.7 -64.0 -37.8 39.2 13.6 5.2 22 26 A R H X S+ 0 0 68 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.921 111.4 48.5 -67.3 -44.6 37.0 13.6 8.3 23 27 A L H >X S+ 0 0 1 -4,-2.4 4,-1.4 2,-0.2 3,-1.0 0.943 110.5 52.7 -59.9 -47.6 36.8 9.7 8.3 24 28 A R H >< S+ 0 0 91 -4,-2.7 3,-0.5 1,-0.3 4,-0.4 0.923 113.7 41.9 -51.5 -51.3 40.6 9.5 7.9 25 29 A D H 3< S+ 0 0 113 -4,-2.1 4,-0.3 1,-0.2 -1,-0.3 0.529 113.7 53.6 -77.7 -7.2 41.2 11.8 10.9 26 30 A D H S+ 0 0 58 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.933 114.3 48.8 -58.7 -45.5 42.0 6.5 15.6 29 33 A N H > S+ 0 0 49 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.939 109.1 51.5 -59.0 -51.5 39.1 8.0 17.7 30 34 A L H X>S+ 0 0 1 -4,-2.9 5,-1.8 1,-0.2 4,-0.8 0.907 107.4 54.1 -52.9 -46.0 36.6 5.4 16.4 31 35 A K H ><5S+ 0 0 112 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.919 108.4 48.7 -56.0 -46.0 39.0 2.6 17.3 32 36 A S H 3<5S+ 0 0 68 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.763 108.3 54.6 -67.3 -26.4 39.3 3.8 20.9 33 37 A K H 3<5S- 0 0 36 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.583 124.5 -98.9 -84.6 -10.1 35.5 4.1 21.2 34 38 A G T <<5S+ 0 0 6 -3,-0.9 2,-0.2 -4,-0.8 -3,-0.2 0.328 71.5 145.1 113.1 -9.1 34.9 0.5 20.2 35 39 A I < + 0 0 7 -5,-1.8 -1,-0.3 -6,-0.2 -30,-0.2 -0.469 16.6 173.5 -66.7 129.2 34.0 0.8 16.5 36 40 A T + 0 0 41 -32,-2.7 58,-2.7 1,-0.3 2,-0.3 0.454 64.0 29.3-114.5 -7.6 35.4 -2.2 14.6 37 41 A A E -ac 5 94A 0 -33,-1.3 -31,-1.1 56,-0.2 2,-0.4 -0.987 62.6-154.2-154.1 144.4 33.9 -1.7 11.2 38 42 A V E -ac 6 95A 0 56,-2.8 58,-2.8 -2,-0.3 2,-0.7 -0.979 7.0-151.9-127.7 125.4 32.8 1.4 9.2 39 43 A W E -ac 7 96A 1 -33,-2.2 -31,-2.0 -2,-0.4 58,-0.2 -0.847 23.1-154.2 -93.9 112.6 30.1 1.4 6.4 40 44 A I E - c 0 97A 1 56,-2.1 58,-0.7 -2,-0.7 3,-0.2 -0.600 19.1-105.1 -88.3 149.2 31.0 4.3 4.1 41 45 A P - 0 0 0 0, 0.0 57,-0.2 0, 0.0 -1,-0.1 -0.187 64.2 -56.5 -67.2 164.0 28.5 6.1 1.9 42 46 A P - 0 0 1 0, 0.0 33,-0.2 0, 0.0 4,-0.1 -0.166 53.0-163.2 -42.4 122.0 28.3 5.5 -1.9 43 47 A A + 0 0 0 55,-0.3 2,-0.1 -3,-0.2 30,-0.1 0.439 57.1 83.7 -93.8 -0.9 31.8 6.1 -3.1 44 48 A W S S- 0 0 2 18,-0.1 2,-0.3 9,-0.1 18,-0.2 -0.365 91.0 -72.6 -96.8 178.7 31.0 6.5 -6.8 45 49 A K B -I 58 0B 0 13,-1.5 12,-2.5 16,-1.1 13,-1.6 -0.548 47.4-163.5 -76.6 126.4 29.8 9.3 -9.0 46 50 A G - 0 0 4 2,-0.4 12,-0.1 -2,-0.3 -1,-0.1 0.003 44.5 -78.6 -91.2-159.8 26.1 10.3 -8.6 47 51 A T S S- 0 0 43 1,-0.1 2,-0.3 10,-0.1 -2,-0.1 0.662 113.0 -4.3 -78.9 -14.4 23.9 12.3 -10.9 48 52 A S S > S- 0 0 44 1,-0.1 3,-0.6 21,-0.0 -2,-0.4 -0.934 83.2 -92.3-161.0 175.4 25.5 15.5 -9.6 49 53 A Q T 3 S+ 0 0 57 19,-0.4 20,-0.1 -2,-0.3 -1,-0.1 0.855 124.5 57.6 -65.8 -33.1 28.0 16.6 -7.0 50 54 A N T 3 S+ 0 0 110 23,-0.1 -1,-0.2 24,-0.1 23,-0.0 0.698 80.0 116.3 -67.5 -26.2 25.1 17.0 -4.5 51 55 A D < - 0 0 25 -3,-0.6 23,-0.5 1,-0.2 -5,-0.2 -0.201 65.8-141.8 -51.8 131.2 24.0 13.4 -4.9 52 56 A V - 0 0 8 22,-0.1 -1,-0.2 21,-0.1 23,-0.1 0.753 56.2-100.5 -65.3 -22.3 24.2 11.3 -1.7 53 57 A G S > S+ 0 0 2 -12,-0.1 3,-1.6 -10,-0.1 -9,-0.1 0.097 101.8 103.2 126.1 -23.1 25.3 8.6 -4.1 54 58 A Y T 3 + 0 0 21 1,-0.3 49,-0.1 2,-0.1 -3,-0.0 0.557 67.1 75.9 -70.0 -5.9 22.2 6.5 -4.6 55 59 A G T 3 S- 0 0 3 -7,-0.1 50,-1.2 49,-0.1 -1,-0.3 0.789 86.0-162.0 -71.8 -26.5 21.6 8.1 -8.0 56 60 A A < + 0 0 1 -3,-1.6 49,-1.8 48,-0.2 -10,-0.2 0.926 26.6 161.4 43.2 84.7 24.4 5.8 -9.1 57 61 A Y S S+ 0 0 1 -12,-2.5 2,-0.5 1,-0.2 -11,-0.2 0.900 70.4 8.1 -92.4 -59.9 25.7 7.1 -12.4 58 62 A D B > -I 45 0B 1 -13,-1.6 3,-1.5 3,-0.2 -13,-1.5 -0.905 53.9-170.7-132.4 107.2 29.2 5.5 -12.7 59 63 A L T 3 S+ 0 0 11 -2,-0.5 -1,-0.1 1,-0.3 -16,-0.1 0.640 90.0 57.7 -67.6 -15.3 30.3 2.8 -10.3 60 64 A Y T 3 S+ 0 0 16 1,-0.1 2,-0.7 -15,-0.1 -1,-0.3 0.349 89.9 81.4 -96.5 5.2 33.9 3.0 -11.7 61 65 A D < + 0 0 0 -3,-1.5 -16,-1.1 -16,-0.1 -3,-0.2 -0.851 50.7 173.2-113.5 93.7 34.2 6.7 -10.9 62 66 A L S S- 0 0 0 -2,-0.7 19,-0.2 -18,-0.2 11,-0.2 -0.113 81.5 -60.1 -92.6 38.9 35.1 7.0 -7.2 63 67 A G S S+ 0 0 1 9,-0.2 15,-1.7 14,-0.2 16,-0.3 0.785 117.2 108.2 88.0 33.4 35.7 10.8 -7.5 64 68 A E + 0 0 68 13,-0.2 2,-0.3 14,-0.1 8,-0.1 0.673 63.9 53.9-113.4 -27.6 38.5 10.3 -10.0 65 69 A F S S- 0 0 26 6,-0.4 2,-1.3 5,-0.1 79,-0.1 -0.815 83.4-108.6-116.5 154.7 37.0 11.5 -13.4 66 70 A N + 0 0 108 77,-0.4 2,-0.3 -2,-0.3 5,-0.3 -0.652 64.7 135.4 -81.6 95.9 35.4 14.7 -14.5 67 71 A Q B > +J 70 0C 7 3,-2.5 3,-1.1 -2,-1.3 -9,-0.1 -0.990 55.8 17.9-143.5 148.5 31.7 13.7 -14.9 68 72 A K T 3 S- 0 0 65 -2,-0.3 -19,-0.4 1,-0.2 -1,-0.1 0.849 132.5 -55.7 59.7 36.7 28.4 15.1 -14.0 69 73 A G T 3 S+ 0 0 76 1,-0.1 2,-0.3 -21,-0.1 -1,-0.2 0.619 124.0 62.8 74.4 15.0 29.9 18.6 -13.6 70 74 A T B < -J 67 0C 11 -3,-1.1 -3,-2.5 1,-0.1 -1,-0.1 -0.995 58.4-150.5-163.8 158.9 32.5 17.4 -11.0 71 75 A V S S+ 0 0 60 -2,-0.3 -6,-0.4 -5,-0.3 -1,-0.1 0.850 86.3 58.5 -95.2 -61.5 35.5 15.3 -10.4 72 76 A R S S- 0 0 49 -8,-0.1 5,-0.2 -9,-0.1 -9,-0.2 -0.199 83.1-127.3 -64.9 158.0 35.1 14.6 -6.6 73 77 A T B > -K 76 0D 4 3,-2.7 3,-0.7 -11,-0.2 -24,-0.1 -0.338 46.9 -81.8 -90.8-176.6 31.9 13.0 -5.4 74 78 A K T 3 S+ 0 0 14 -23,-0.5 -57,-1.5 1,-0.2 -55,-0.3 0.859 133.7 46.6 -55.7 -35.1 30.0 14.7 -2.6 75 79 A Y T 3 S- 0 0 2 1,-0.3 -55,-1.8 -33,-0.2 -56,-0.5 0.651 121.7 -85.9 -84.6 -18.5 32.5 13.2 -0.1 76 80 A G B < -K 73 0D 0 -3,-0.7 -3,-2.7 -57,-0.2 -1,-0.3 -0.925 56.5 -43.1 143.3-168.0 35.8 13.9 -1.9 77 81 A T > - 0 0 39 -60,-0.3 4,-2.4 -2,-0.3 -13,-0.2 -0.367 52.2-104.3 -92.4 174.3 38.1 12.5 -4.5 78 82 A R H > S+ 0 0 47 -15,-1.7 4,-2.9 1,-0.2 5,-0.2 0.901 123.4 53.9 -62.2 -40.8 39.4 9.0 -5.1 79 83 A S H > S+ 0 0 90 -16,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.936 110.0 44.9 -59.3 -48.8 42.7 10.0 -3.5 80 84 A Q H > S+ 0 0 56 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.884 112.5 52.5 -65.0 -37.7 41.0 11.3 -0.4 81 85 A L H >X S+ 0 0 0 -4,-2.4 4,-2.4 -19,-0.2 3,-0.7 0.957 108.8 49.3 -62.1 -50.3 38.8 8.2 -0.2 82 86 A Q H 3X S+ 0 0 66 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.863 107.5 55.8 -57.9 -35.3 41.8 5.9 -0.4 83 87 A G H 3X S+ 0 0 28 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.3 0.833 107.9 48.8 -66.6 -30.7 43.5 7.9 2.3 84 88 A A H S+ 0 0 0 -4,-2.3 5,-3.0 1,-0.2 3,-0.4 0.927 113.7 49.8 -62.6 -45.2 40.9 2.8 9.1 89 93 A K H ><5S+ 0 0 56 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.901 108.5 51.1 -60.3 -45.9 43.0 -0.2 8.0 90 94 A N H 3<5S+ 0 0 129 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.743 110.4 51.1 -65.4 -23.3 46.1 1.0 9.9 91 95 A N T 3<5S- 0 0 38 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.210 121.7-108.1 -97.8 14.3 43.9 1.4 13.0 92 96 A G T < 5S+ 0 0 66 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.738 71.9 139.6 69.1 26.3 42.5 -2.1 12.6 93 97 A I < - 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