==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-APR-03 1UD2 . 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) . 17454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 15.2 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 . 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 . 39 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 20.0 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 1 1 0 0 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 . 3 5 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 . 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 0 176 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 64.5 15.2 59.0 94.6 2 2 A G + 0 0 66 1,-0.2 3,-0.1 2,-0.0 413,-0.0 0.538 360.0 164.0 81.3 5.3 12.9 60.3 97.3 3 3 A L - 0 0 61 1,-0.1 -1,-0.2 390,-0.0 386,-0.1 -0.277 46.0-102.2 -56.8 138.9 15.5 62.8 98.4 4 4 A N - 0 0 32 384,-0.3 2,-0.3 385,-0.3 -1,-0.1 -0.340 38.3-118.9 -62.6 144.7 14.1 65.6 100.7 5 5 A G - 0 0 23 -3,-0.1 2,-0.4 33,-0.1 -1,-0.1 -0.661 29.5-175.2 -89.9 142.7 13.5 68.9 98.8 6 6 A T - 0 0 2 -2,-0.3 32,-2.7 352,-0.1 33,-1.6 -0.952 7.7-157.5-141.5 119.7 15.3 72.0 99.9 7 7 A M E -ab 39 360A 0 352,-2.7 354,-3.2 -2,-0.4 2,-0.4 -0.562 3.7-160.7 -92.2 155.2 14.7 75.4 98.4 8 8 A M E -ab 40 361A 0 31,-1.4 33,-2.4 352,-0.3 2,-0.9 -0.970 17.6-139.4-141.1 124.3 17.1 78.4 98.5 9 9 A Q E -ab 41 362A 0 352,-2.4 354,-1.7 -2,-0.4 2,-1.4 -0.740 24.1-151.6 -78.7 108.9 16.4 82.1 97.9 10 10 A Y + 0 0 6 31,-1.9 2,-0.3 -2,-0.9 -1,-0.1 -0.378 62.3 40.1 -87.6 61.3 19.4 83.0 95.8 11 11 A Y - 0 0 0 -2,-1.4 353,-0.5 31,-0.1 352,-0.5 -0.916 59.8-146.2 175.1 163.7 19.8 86.7 96.6 12 12 A E > - 0 0 6 -2,-0.3 3,-1.5 351,-0.2 315,-0.1 -0.921 36.7-102.4-140.2 162.3 19.7 89.2 99.5 13 13 A W T 3 S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.3 314,-0.1 0.880 117.0 46.0 -56.9 -42.9 18.6 92.8 99.6 14 14 A H T 3 S+ 0 0 58 -3,-0.0 -1,-0.3 2,-0.0 357,-0.1 0.108 75.9 143.8 -92.0 22.8 22.1 94.3 99.6 15 15 A L < - 0 0 18 -3,-1.5 2,-0.2 1,-0.1 354,-0.0 -0.270 62.1 -95.5 -55.2 151.0 23.7 92.1 96.9 16 16 A E - 0 0 144 1,-0.1 2,-1.7 2,-0.0 3,-0.4 -0.471 25.0-128.4 -72.3 139.8 26.1 94.2 94.8 17 17 A N + 0 0 53 1,-0.2 -1,-0.1 -2,-0.2 60,-0.1 -0.447 69.4 122.6 -87.1 64.7 24.8 95.7 91.6 18 18 A D S S- 0 0 67 -2,-1.7 -1,-0.2 58,-0.1 59,-0.1 0.440 73.9-126.1-102.9 -2.9 27.6 94.3 89.4 19 19 A G S S+ 0 0 1 57,-1.2 60,-0.3 -3,-0.4 4,-0.2 0.675 83.4 106.8 67.3 17.2 25.3 92.4 87.1 20 20 A Q > + 0 0 88 -4,-0.2 4,-2.0 56,-0.2 58,-0.1 0.238 42.5 99.5-109.8 12.4 27.2 89.2 87.7 21 21 A H H > S+ 0 0 1 56,-0.4 4,-2.9 55,-0.3 5,-0.2 0.903 80.4 50.1 -68.0 -42.7 24.6 87.4 89.8 22 22 A W H > S+ 0 0 1 55,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.914 113.0 49.8 -61.8 -39.3 23.1 85.1 87.1 23 23 A N H > S+ 0 0 26 54,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.899 109.8 50.2 -64.5 -40.5 26.7 84.2 86.2 24 24 A R H X S+ 0 0 70 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.939 109.9 50.8 -61.4 -46.7 27.4 83.4 89.9 25 25 A L H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 3,-0.4 0.932 108.7 52.5 -56.0 -46.8 24.3 81.3 90.0 26 26 A H H < S+ 0 0 43 -4,-2.5 3,-0.4 1,-0.2 4,-0.3 0.888 112.1 43.8 -56.9 -43.5 25.4 79.4 87.0 27 27 A D H < S+ 0 0 112 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.702 112.9 53.2 -76.3 -19.5 28.8 78.6 88.4 28 28 A D H X S+ 0 0 27 -4,-1.7 4,-2.9 -3,-0.4 5,-0.3 0.598 81.6 96.2 -90.9 -13.1 27.3 77.7 91.8 29 29 A A H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.4 5,-0.2 0.880 85.4 42.0 -42.3 -62.6 24.8 75.1 90.4 30 30 A A H > S+ 0 0 55 -4,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.911 116.1 49.4 -57.2 -45.8 26.8 71.9 90.9 31 31 A A H > S+ 0 0 54 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.897 110.6 50.5 -62.3 -41.2 28.0 73.0 94.4 32 32 A L H X>S+ 0 0 0 -4,-2.9 5,-2.7 2,-0.2 4,-0.8 0.910 112.3 47.1 -64.2 -41.5 24.5 73.9 95.5 33 33 A S H ><5S+ 0 0 32 -4,-2.3 3,-1.9 -5,-0.3 -2,-0.2 0.971 110.5 50.9 -64.0 -53.0 23.2 70.5 94.3 34 34 A D H 3<5S+ 0 0 132 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.861 107.9 55.8 -52.4 -35.2 26.0 68.6 96.0 35 35 A A H 3<5S- 0 0 14 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.701 128.8 -95.7 -73.2 -18.6 25.2 70.5 99.2 36 36 A G T <<5S+ 0 0 1 -3,-1.9 2,-0.4 -4,-0.8 -3,-0.2 0.497 75.1 141.4 118.1 5.5 21.5 69.4 99.1 37 37 A I < + 0 0 1 -5,-2.7 -1,-0.3 -6,-0.2 -30,-0.2 -0.673 16.7 170.8 -81.8 131.3 19.7 72.2 97.3 38 38 A T + 0 0 24 -32,-2.7 58,-3.1 -2,-0.4 2,-0.3 0.505 62.6 33.7-116.1 -10.7 17.0 70.9 95.0 39 39 A A E -ac 7 96A 0 -33,-1.6 -31,-1.4 56,-0.3 2,-0.4 -0.995 61.9-153.5-149.4 141.6 15.2 74.2 94.1 40 40 A I E -ac 8 97A 0 56,-3.1 58,-3.2 -2,-0.3 2,-0.7 -0.960 5.2-154.6-120.7 130.8 16.2 77.8 93.5 41 41 A W E -ac 9 98A 1 -33,-2.4 -31,-1.9 -2,-0.4 58,-0.2 -0.914 21.4-157.8-100.8 111.8 13.9 80.8 94.0 42 42 A I E - c 0 99A 1 56,-2.4 58,-1.1 -2,-0.7 3,-0.1 -0.647 19.7-107.4 -91.5 151.0 15.3 83.5 91.7 43 43 A P - 0 0 0 0, 0.0 57,-0.3 0, 0.0 -1,-0.1 -0.191 62.2 -60.7 -68.7 166.9 14.6 87.2 92.3 44 44 A P - 0 0 1 0, 0.0 57,-0.1 0, 0.0 4,-0.1 -0.319 54.8-159.7 -49.6 123.0 12.2 89.1 90.0 45 45 A A + 0 0 1 55,-0.4 2,-0.2 -3,-0.1 30,-0.1 0.446 56.1 90.0 -91.1 -0.1 14.1 88.7 86.7 46 46 A Y S S- 0 0 2 9,-0.2 18,-0.3 18,-0.1 15,-0.2 -0.539 89.7 -73.3 -99.7 164.1 12.5 91.6 84.8 47 47 A K E -I 60 0B 0 16,-2.9 12,-2.5 13,-0.8 13,-1.8 -0.279 52.0-166.5 -56.5 121.3 13.4 95.3 84.4 48 48 A G E -I 58 0B 4 2,-0.4 10,-0.2 10,-0.3 -1,-0.1 -0.326 45.0 -72.0-100.3-174.5 12.6 97.3 87.5 49 49 A N S S- 0 0 64 8,-2.2 2,-0.3 -2,-0.1 9,-0.1 0.761 116.0 -5.8 -47.0 -33.4 12.4 101.0 88.2 50 50 A S S > S- 0 0 49 7,-0.1 3,-1.3 1,-0.1 -2,-0.4 -0.947 82.5 -92.3-155.4 170.7 16.2 101.2 87.8 51 51 A Q T 3 S+ 0 0 60 19,-0.5 -32,-0.1 -2,-0.3 20,-0.1 0.866 122.8 50.3 -58.3 -39.1 19.2 99.0 87.3 52 52 A A T 3 S+ 0 0 52 23,-0.1 -1,-0.3 24,-0.1 23,-0.1 0.477 80.6 125.4 -81.1 -1.8 19.9 98.7 91.1 53 53 A D < - 0 0 36 -3,-1.3 23,-0.4 1,-0.2 -5,-0.1 -0.317 64.7-136.5 -59.3 136.0 16.2 97.8 91.8 54 54 A V - 0 0 8 22,-0.1 -1,-0.2 21,-0.1 23,-0.0 0.769 56.1 -95.8 -66.0 -21.8 16.1 94.5 93.8 55 55 A G S S+ 0 0 2 -12,-0.1 -9,-0.2 -5,-0.1 3,-0.1 0.230 105.2 94.3 130.0 -15.7 13.2 93.7 91.5 56 56 A Y S S+ 0 0 27 1,-0.2 2,-1.2 2,-0.1 49,-0.1 0.624 71.1 73.4 -84.0 -13.9 10.0 94.6 93.3 57 57 A G S S- 0 0 5 -7,-0.1 -8,-2.2 49,-0.0 -1,-0.2 -0.441 84.6-170.4 -93.3 58.6 9.7 98.1 91.7 58 58 A A E +I 48 0B 0 -2,-1.2 49,-2.5 -10,-0.2 -10,-0.3 -0.326 23.9 165.4 -60.9 123.8 8.7 96.2 88.6 59 59 A Y E + 0 0 1 -12,-2.5 2,-0.5 47,-0.2 -11,-0.2 0.859 68.7 14.6-101.4 -61.5 8.5 98.2 85.4 60 60 A D E > -I 47 0B 1 -13,-1.8 3,-1.8 3,-0.2 -13,-0.8 -0.894 52.9-168.6-128.2 105.3 8.4 95.8 82.4 61 61 A L T 3 S+ 0 0 12 -2,-0.5 -1,-0.1 1,-0.3 -16,-0.1 0.625 90.7 55.9 -63.8 -15.2 7.7 92.1 82.9 62 62 A Y T 3 S+ 0 0 14 1,-0.1 2,-0.8 -15,-0.1 -1,-0.3 0.413 89.5 82.8 -96.8 -0.8 8.7 91.3 79.3 63 63 A D < + 0 0 0 -3,-1.8 -16,-2.9 -16,-0.1 -3,-0.2 -0.852 51.3 176.0-107.4 97.3 12.2 92.8 79.7 64 64 A L S S- 0 0 0 -2,-0.8 11,-0.2 -18,-0.3 19,-0.2 -0.140 79.0 -62.6 -92.8 40.0 14.4 90.2 81.3 65 65 A G S S+ 0 0 1 9,-0.2 15,-2.0 -2,-0.2 16,-0.3 0.900 116.0 108.3 80.8 45.4 17.5 92.3 81.1 66 66 A E + 0 0 70 13,-0.2 2,-0.3 7,-0.2 8,-0.1 0.604 64.2 52.9-124.5 -27.3 17.3 92.3 77.3 67 67 A F S S- 0 0 32 6,-0.4 2,-1.2 5,-0.1 -1,-0.2 -0.818 84.4-108.2-116.0 155.7 16.3 95.9 76.3 68 68 A N + 0 0 112 77,-0.3 2,-0.3 -2,-0.3 5,-0.3 -0.689 64.8 134.2 -84.2 98.5 17.6 99.3 77.1 69 69 A Q B > +J 72 0C 11 3,-2.4 3,-1.3 -2,-1.2 -9,-0.1 -0.986 56.6 18.4-144.5 151.6 15.0 100.7 79.4 70 70 A K T 3 S- 0 0 59 -2,-0.3 -19,-0.5 1,-0.3 -1,-0.1 0.778 133.4 -54.2 58.6 29.6 15.0 102.5 82.8 71 71 A G T 3 S+ 0 0 75 -21,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.584 123.2 62.0 84.4 12.9 18.7 103.5 82.2 72 72 A T B < -J 69 0C 9 -3,-1.3 -3,-2.4 1,-0.1 -1,-0.1 -0.990 58.1-149.2-164.4 155.5 20.0 100.0 81.7 73 73 A V S S+ 0 0 66 -2,-0.3 -6,-0.4 -5,-0.3 -7,-0.2 0.892 89.1 52.2 -88.6 -62.9 19.9 96.9 79.5 74 74 A R S S- 0 0 49 -8,-0.1 5,-0.2 -9,-0.1 -9,-0.2 -0.198 84.9-123.7 -69.6 162.1 20.7 94.3 82.2 75 75 A T - 0 0 6 3,-2.5 3,-0.2 -11,-0.2 -24,-0.1 -0.237 46.5 -83.1 -89.7-170.6 18.7 94.0 85.4 76 76 A K S S+ 0 0 13 -23,-0.4 -57,-1.2 -26,-0.2 -55,-0.3 0.860 133.1 47.0 -62.9 -32.0 20.6 94.2 88.7 77 77 A Y S S- 0 0 3 1,-0.3 -55,-2.3 -58,-0.1 -56,-0.4 0.688 119.6 -92.5 -85.4 -21.7 21.3 90.5 88.3 78 78 A G - 0 0 0 -3,-0.2 -3,-2.5 -57,-0.2 -1,-0.3 -0.935 55.2 -33.2 142.4-165.1 22.5 90.4 84.7 79 79 A T > - 0 0 41 -60,-0.3 4,-1.8 -2,-0.3 -13,-0.2 -0.425 51.0-109.7 -91.6 166.5 21.3 89.9 81.1 80 80 A K H > S+ 0 0 15 -15,-2.0 4,-2.4 1,-0.2 5,-0.2 0.912 119.1 52.3 -58.6 -44.0 18.6 87.7 79.7 81 81 A A H > S+ 0 0 64 -16,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.855 108.3 49.6 -63.2 -37.0 21.3 85.4 78.1 82 82 A Q H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.843 111.0 50.6 -71.5 -32.9 23.2 84.9 81.4 83 83 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.929 111.4 46.9 -68.4 -46.8 19.9 84.1 83.2 84 84 A E H X S+ 0 0 74 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.886 113.6 49.3 -62.5 -38.7 19.0 81.5 80.6 85 85 A R H X S+ 0 0 121 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.909 111.8 49.0 -66.6 -41.6 22.5 80.1 80.8 86 86 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.924 110.7 50.0 -63.1 -45.5 22.3 80.0 84.6 87 87 A I H X S+ 0 0 10 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.878 107.4 53.9 -62.1 -39.5 18.9 78.2 84.4 88 88 A G H X S+ 0 0 39 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.918 108.3 50.6 -61.0 -41.3 20.3 75.6 82.0 89 89 A S H X S+ 0 0 16 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.901 109.5 50.6 -62.8 -41.2 23.1 75.0 84.5 90 90 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 3,-0.8 0.934 110.2 49.6 -62.6 -45.7 20.5 74.5 87.3 91 91 A K H ><5S+ 0 0 58 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.928 108.5 52.2 -59.2 -47.4 18.5 72.1 85.2 92 92 A S H 3<5S+ 0 0 88 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.677 110.2 50.5 -64.6 -16.6 21.5 70.0 84.3 93 93 A N T <<5S- 0 0 39 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.090 121.5-106.7-108.0 21.0 22.3 69.8 88.0 94 94 A D T < 5S+ 0 0 133 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.874 71.4 142.0 57.9 45.1 18.8 68.7 89.0 95 95 A I < - 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