==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JAN-01 1HVX . COMPND 2 MOLECULE: ALPHA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR D.SUVD,Z.FUJIMOTO,K.TAKASE,M.MATSUMURA,H.MIZUNO . 483 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 66.7 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 . 74 15.3 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 . 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 . 37 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.8 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 . 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 1 1 0 0 0 0 2 0 1 3 1 0 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 . 4 4 2 4 0 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 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 1 A A 0 0 130 0, 0.0 417,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.9 28.2 5.3 -20.7 2 2 A A - 0 0 71 417,-0.0 417,-0.1 2,-0.0 2,-0.1 -0.826 360.0-143.9 -90.9 108.7 31.2 5.5 -18.3 3 3 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.341 16.4-166.2 -75.4 154.3 30.2 3.6 -15.2 4 4 A F - 0 0 135 -2,-0.1 388,-0.1 33,-0.0 389,-0.1 -0.988 24.4-120.8-141.5 126.0 31.0 4.2 -11.6 5 5 A N - 0 0 37 -2,-0.4 2,-0.4 386,-0.4 356,-0.0 -0.244 27.3-116.8 -64.1 154.3 30.6 1.7 -8.8 6 6 A G + 0 0 27 32,-0.1 2,-0.4 33,-0.1 32,-0.1 -0.804 33.9 178.4 -96.0 135.0 28.3 2.5 -5.9 7 7 A T - 0 0 5 -2,-0.4 32,-2.7 30,-0.2 33,-1.4 -0.967 9.3-160.0-141.5 123.9 29.8 2.8 -2.4 8 8 A M E -ab 40 363A 0 354,-2.5 356,-2.6 -2,-0.4 2,-0.4 -0.610 0.3-159.1 -98.9 158.5 28.0 3.7 0.8 9 9 A M E -ab 41 364A 2 31,-1.3 33,-2.7 354,-0.3 2,-0.9 -0.981 17.3-138.1-142.4 123.7 29.3 5.0 4.1 10 10 A Q E -ab 42 365A 2 354,-2.7 356,-1.6 -2,-0.4 2,-1.0 -0.758 23.9-154.7 -77.4 111.6 27.7 4.8 7.5 11 11 A Y + 0 0 0 31,-2.5 2,-0.3 -2,-0.9 -1,-0.1 -0.358 59.6 44.0 -93.1 58.6 28.6 8.3 8.7 12 12 A F - 0 0 0 -2,-1.0 355,-0.5 31,-0.1 354,-0.4 -0.947 56.6-152.4-179.6 161.9 28.5 7.8 12.5 13 13 A E > - 0 0 4 -2,-0.3 3,-1.0 353,-0.2 317,-0.1 -0.937 34.3-105.1-141.3 163.1 29.6 5.5 15.4 14 14 A W T 3 S+ 0 0 68 -2,-0.3 -1,-0.1 1,-0.2 316,-0.0 0.901 109.3 51.0 -57.0 -50.7 28.2 4.9 18.8 15 15 A Y T 3 S+ 0 0 48 -3,-0.1 -1,-0.2 315,-0.0 359,-0.1 0.103 71.3 138.3 -83.2 24.6 30.6 6.8 21.0 16 16 A L < - 0 0 25 -3,-1.0 2,-0.1 1,-0.1 356,-0.0 -0.344 61.4-104.8 -65.7 145.9 30.7 10.2 19.3 17 17 A P - 0 0 85 0, 0.0 2,-1.7 0, 0.0 4,-0.3 -0.454 26.2-113.8 -72.4 153.6 30.6 13.0 21.8 18 18 A D S S+ 0 0 35 1,-0.2 60,-0.1 -2,-0.1 35,-0.1 -0.602 75.9 119.9 -85.5 80.5 27.4 15.0 22.3 19 19 A D S S- 0 0 77 -2,-1.7 -1,-0.2 58,-0.4 59,-0.1 0.342 76.5-118.4-127.2 7.0 28.6 18.3 20.8 20 20 A G S S+ 0 0 8 57,-1.8 60,-0.2 -3,-0.3 58,-0.2 0.842 79.1 116.3 58.6 40.0 26.3 19.0 17.9 21 21 A T > + 0 0 70 56,-0.4 4,-2.2 -4,-0.3 5,-0.2 0.523 40.8 89.7-115.2 -7.1 29.1 18.9 15.3 22 22 A L H > S+ 0 0 9 55,-0.3 4,-2.2 1,-0.2 5,-0.2 0.909 87.4 49.9 -59.7 -47.2 28.2 15.9 13.1 23 23 A W H > S+ 0 0 1 55,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.905 112.1 50.7 -59.2 -39.0 26.1 17.8 10.5 24 24 A T H > S+ 0 0 59 54,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.923 108.2 52.0 -63.6 -42.9 28.9 20.4 10.2 25 25 A K H X S+ 0 0 52 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.881 105.9 54.4 -61.2 -40.6 31.5 17.6 9.7 26 26 A V H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.942 109.9 47.2 -58.7 -45.7 29.3 16.1 6.9 27 27 A A H < S+ 0 0 33 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.890 114.9 47.2 -63.4 -37.5 29.3 19.5 5.2 28 28 A N H < S+ 0 0 115 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.789 118.2 38.5 -75.0 -31.4 33.1 19.8 5.7 29 29 A E H X S+ 0 0 54 -4,-2.5 4,-2.5 -5,-0.2 3,-0.4 0.559 85.1 100.7 -98.0 -9.8 34.1 16.4 4.4 30 30 A A H X S+ 0 0 1 -4,-1.6 4,-2.6 1,-0.2 5,-0.1 0.853 85.5 42.6 -42.8 -54.5 31.6 15.9 1.5 31 31 A N H > S+ 0 0 111 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.858 112.9 52.9 -65.6 -37.3 34.0 16.7 -1.3 32 32 A N H > S+ 0 0 93 -3,-0.4 4,-0.9 -4,-0.2 -2,-0.2 0.960 114.6 41.7 -61.8 -50.0 36.9 14.7 0.2 33 33 A L H ><>S+ 0 0 4 -4,-2.5 5,-1.7 1,-0.2 3,-0.7 0.892 112.5 55.1 -63.7 -42.7 34.7 11.6 0.5 34 34 A S H ><5S+ 0 0 35 -4,-2.6 3,-2.0 -5,-0.3 -1,-0.2 0.918 102.1 56.2 -58.0 -45.6 33.1 12.2 -2.9 35 35 A S H 3<5S+ 0 0 74 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.762 102.4 57.6 -60.9 -25.4 36.5 12.3 -4.7 36 36 A L T <<5S- 0 0 20 -4,-0.9 356,-0.3 -3,-0.7 -1,-0.3 0.518 125.8 -97.9 -83.0 -6.9 37.3 8.9 -3.3 37 37 A G T < 5S+ 0 0 14 -3,-2.0 2,-0.5 -4,-0.3 -30,-0.2 0.595 70.5 149.5 102.8 8.5 34.2 7.3 -4.9 38 38 A I < + 0 0 6 -5,-1.7 -1,-0.3 1,-0.1 -30,-0.2 -0.679 18.6 179.6 -75.1 125.9 31.7 7.4 -2.0 39 39 A T + 0 0 40 -32,-2.7 58,-2.3 -2,-0.5 2,-0.3 0.558 58.2 24.0-106.7 -11.0 28.4 7.8 -3.6 40 40 A A E -ac 8 97A 0 -33,-1.4 -31,-1.3 56,-0.3 2,-0.4 -0.993 59.1-148.8-156.6 146.9 26.0 7.8 -0.7 41 41 A L E -ac 9 98A 0 56,-2.7 58,-3.3 -2,-0.3 2,-0.7 -0.962 8.6-148.9-120.6 135.2 26.0 8.5 3.1 42 42 A W E -ac 10 99A 1 -33,-2.7 -31,-2.5 -2,-0.4 58,-0.2 -0.919 24.1-160.8-100.6 113.4 23.8 6.8 5.7 43 43 A L E - c 0 100A 0 56,-2.7 58,-0.7 -2,-0.7 3,-0.1 -0.667 19.0-108.1 -95.5 151.8 23.2 9.4 8.4 44 44 A P - 0 0 1 0, 0.0 57,-0.3 0, 0.0 -1,-0.1 -0.178 60.8 -60.0 -69.7 170.4 22.0 8.6 12.0 45 45 A P - 0 0 1 0, 0.0 57,-0.1 0, 0.0 4,-0.1 -0.329 49.6-162.7 -54.1 124.3 18.5 9.4 13.2 46 46 A A + 0 0 0 55,-0.4 2,-0.2 -3,-0.1 30,-0.1 0.447 57.4 87.7 -90.9 -2.8 18.1 13.2 12.8 47 47 A Y S S- 0 0 3 18,-0.1 18,-0.2 9,-0.1 15,-0.2 -0.606 89.9 -75.7 -99.2 161.6 15.0 13.7 15.0 48 48 A K E -I 61 0B 0 16,-2.5 12,-2.7 13,-0.7 13,-1.9 -0.268 47.7-169.1 -59.0 125.7 14.7 14.3 18.8 49 49 A G E -I 59 0B 5 2,-0.5 10,-0.2 10,-0.3 -1,-0.1 -0.160 49.8 -66.9 -98.2-162.4 15.3 11.3 21.0 50 50 A T S S- 0 0 37 8,-1.3 2,-0.3 -2,-0.1 9,-0.1 0.656 117.4 -4.5 -64.5 -17.8 14.7 10.9 24.8 51 51 A S S > S- 0 0 49 7,-0.2 3,-1.2 1,-0.1 -2,-0.5 -0.956 83.3 -91.4-162.6 171.7 17.4 13.4 25.5 52 52 A R T 3 S+ 0 0 99 19,-0.6 20,-0.1 -2,-0.3 -1,-0.1 0.831 123.0 53.5 -62.0 -31.6 20.0 15.5 23.7 53 53 A S T 3 S+ 0 0 66 23,-0.1 -1,-0.2 24,-0.1 23,-0.1 0.496 77.9 124.1 -82.3 -7.4 22.6 12.8 24.1 54 54 A D < - 0 0 30 -3,-1.2 23,-0.4 1,-0.2 -5,-0.1 -0.327 64.2-137.2 -57.9 131.8 20.5 10.0 22.6 55 55 A V - 0 0 11 1,-0.1 -1,-0.2 22,-0.1 -3,-0.0 0.768 56.4 -97.5 -60.5 -25.0 22.2 8.3 19.7 56 56 A G S S+ 0 0 3 -12,-0.1 -9,-0.1 -10,-0.1 47,-0.1 0.189 104.2 96.0 131.0 -18.3 18.8 8.4 18.0 57 57 A Y S S+ 0 0 24 1,-0.2 2,-1.0 2,-0.1 49,-0.2 0.556 72.0 72.3 -81.3 -8.0 17.1 5.1 18.5 58 58 A G S S- 0 0 3 -7,-0.1 -8,-1.3 49,-0.1 -1,-0.2 -0.603 84.2-167.5-101.6 64.9 15.2 6.2 21.6 59 59 A V E +I 49 0B 1 -2,-1.0 49,-2.7 -10,-0.2 -10,-0.3 -0.342 25.8 164.8 -62.5 131.7 13.0 8.3 19.3 60 60 A Y E + 0 0 1 -12,-2.7 2,-0.4 47,-0.2 -11,-0.2 0.774 69.2 14.8-109.6 -56.6 10.6 10.9 20.9 61 61 A D E > -I 48 0B 2 -13,-1.9 3,-1.6 3,-0.2 -13,-0.7 -0.913 50.7-166.9-133.3 110.8 9.4 13.2 18.1 62 62 A L T 3 S+ 0 0 10 -2,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.673 92.4 54.4 -64.1 -21.0 9.8 12.4 14.4 63 63 A Y T 3 S+ 0 0 10 1,-0.1 2,-0.8 -15,-0.1 -1,-0.3 0.404 88.3 84.8 -95.4 0.7 8.9 16.0 13.5 64 64 A D < + 0 0 0 -3,-1.6 -16,-2.5 -16,-0.1 2,-0.5 -0.801 48.6 174.6-106.9 92.4 11.6 17.6 15.6 65 65 A L S S- 0 0 3 -2,-0.8 19,-0.2 -18,-0.2 11,-0.2 -0.115 81.1 -62.7 -88.4 42.6 14.8 17.6 13.6 66 66 A G S S+ 0 0 2 -2,-0.5 15,-1.8 9,-0.2 16,-0.3 0.913 116.1 109.8 76.3 48.8 16.7 19.6 16.3 67 67 A E + 0 0 64 13,-0.2 2,-0.3 1,-0.2 8,-0.1 0.608 60.7 56.7-126.8 -26.4 14.3 22.6 15.9 68 68 A F S S- 0 0 27 6,-0.4 2,-1.4 5,-0.1 -1,-0.2 -0.830 84.0-109.7-115.3 153.0 12.1 22.8 19.0 69 69 A N + 0 0 110 77,-0.4 2,-0.3 -2,-0.3 5,-0.3 -0.643 67.3 131.8 -82.4 92.0 13.0 23.1 22.6 70 70 A Q B > +J 73 0C 7 3,-2.1 3,-1.0 -2,-1.4 -2,-0.1 -0.994 56.8 19.3-142.7 145.6 12.0 19.6 23.8 71 71 A K T 3 S- 0 0 59 -2,-0.3 -19,-0.6 1,-0.2 -1,-0.1 0.825 133.4 -50.9 64.9 34.6 13.7 17.0 26.0 72 72 A G T 3 S+ 0 0 79 -21,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.358 123.7 40.1 88.5 -5.6 16.2 19.4 27.5 73 73 A A B < -J 70 0C 15 -3,-1.0 -3,-2.1 -5,-0.1 -1,-0.1 -0.981 64.2-130.2-163.8 170.1 17.4 21.0 24.3 74 74 A V S S+ 0 0 66 -2,-0.3 -6,-0.4 -5,-0.3 -1,-0.1 0.858 90.6 61.5 -91.1 -51.1 16.7 22.4 20.8 75 75 A R S S- 0 0 47 -8,-0.1 5,-0.2 -9,-0.1 -9,-0.2 -0.246 78.9-128.8 -76.3 159.0 19.5 20.5 19.0 76 76 A T - 0 0 6 3,-2.4 3,-0.4 -11,-0.2 -24,-0.1 -0.366 46.5 -85.9 -90.0-176.4 19.8 16.7 18.7 77 77 A K S S+ 0 0 13 -23,-0.4 -57,-1.8 -26,-0.2 -58,-0.4 0.820 131.8 47.6 -61.9 -24.7 23.2 15.1 19.6 78 78 A Y S S- 0 0 4 1,-0.3 -55,-1.7 -58,-0.2 -54,-0.4 0.687 119.1 -88.3 -92.0 -22.2 24.1 15.8 15.9 79 79 A G - 0 0 0 -3,-0.4 -3,-2.4 -57,-0.1 -1,-0.3 -0.947 53.5 -43.1 145.3-165.9 23.1 19.5 15.5 80 80 A T > - 0 0 46 -2,-0.3 4,-2.1 -60,-0.2 -13,-0.2 -0.436 50.6-103.8 -96.1 173.4 20.2 21.7 14.5 81 81 A K H > S+ 0 0 40 -15,-1.8 4,-2.1 1,-0.2 5,-0.2 0.910 121.3 50.1 -60.9 -49.2 17.6 21.5 11.7 82 82 A A H > S+ 0 0 56 -16,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.872 110.7 50.4 -60.3 -37.3 19.4 24.2 9.6 83 83 A Q H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.878 107.9 53.0 -68.9 -37.7 22.7 22.4 10.0 84 84 A Y H X S+ 0 0 0 -4,-2.1 4,-2.1 -19,-0.2 -2,-0.2 0.925 109.5 48.5 -62.7 -45.3 21.1 19.1 8.9 85 85 A L H X S+ 0 0 50 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.855 109.8 52.0 -63.8 -37.3 19.7 20.8 5.7 86 86 A Q H X S+ 0 0 123 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.867 107.2 53.5 -67.3 -34.7 23.1 22.3 5.0 87 87 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.924 109.1 48.3 -64.7 -43.8 24.7 18.9 5.3 88 88 A I H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.882 110.7 52.4 -63.5 -38.2 22.3 17.5 2.7 89 89 A Q H X S+ 0 0 120 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.910 110.3 47.0 -63.2 -46.3 23.1 20.5 0.4 90 90 A A H X S+ 0 0 24 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.912 111.6 50.8 -63.3 -43.7 26.8 19.9 0.6 91 91 A A H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 3,-0.2 0.941 113.1 45.4 -60.7 -48.3 26.4 16.1 -0.0 92 92 A H H ><5S+ 0 0 52 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.913 109.4 54.7 -62.1 -43.2 24.2 16.8 -3.1 93 93 A A H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 108.5 50.5 -59.8 -31.7 26.6 19.5 -4.4 94 94 A A T 3<5S- 0 0 10 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.388 124.3-105.8 -86.6 2.0 29.4 16.9 -4.2 95 95 A G T < 5S+ 0 0 62 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.688 76.2 131.0 84.1 19.3 27.3 14.3 -6.1 96 96 A M < - 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