==== 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 1UD4 . 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) . 17401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 6.0 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 . 45 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.4 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 . 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 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 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 . 3 5 1 3 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 . 2 0 0 0 1 1 1 0 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 0 188 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 7.0 103.7 -8.8 83.9 2 2 A G + 0 0 58 1,-0.3 3,-0.1 414,-0.0 414,-0.0 0.323 360.0 149.2 83.0 -9.9 100.2 -7.9 82.7 3 3 A L - 0 0 77 1,-0.1 -1,-0.3 390,-0.0 2,-0.1 -0.280 54.4-108.2 -57.7 138.4 100.0 -5.2 85.3 4 4 A N - 0 0 29 384,-0.3 2,-0.4 385,-0.3 -1,-0.1 -0.443 33.1-124.9 -68.7 141.9 97.9 -2.2 84.2 5 5 A G - 0 0 25 -2,-0.1 2,-0.4 -3,-0.1 32,-0.1 -0.708 26.9-174.6 -91.3 139.8 99.9 0.9 83.5 6 6 A T - 0 0 2 -2,-0.4 32,-2.6 30,-0.2 33,-1.6 -0.982 7.1-157.7-138.0 126.0 99.1 4.1 85.2 7 7 A M E -ab 39 360A 0 352,-2.7 354,-3.0 -2,-0.4 2,-0.4 -0.644 3.1-161.7 -98.5 154.1 100.7 7.5 84.5 8 8 A M E -ab 40 361A 0 31,-1.5 33,-2.5 352,-0.3 2,-1.0 -0.989 18.2-138.9-138.8 129.0 100.9 10.5 86.8 9 9 A Q E -ab 41 362A 0 352,-2.6 2,-1.7 -2,-0.4 354,-1.7 -0.786 23.8-150.2 -83.7 107.1 101.6 14.1 85.8 10 10 A Y + 0 0 5 31,-1.6 2,-0.3 -2,-1.0 -1,-0.1 -0.310 63.4 40.3 -82.5 57.8 103.9 15.0 88.7 11 11 A Y - 0 0 0 -2,-1.7 353,-0.5 31,-0.1 352,-0.5 -0.925 58.9-146.2 176.6 162.2 103.1 18.7 89.0 12 12 A E > - 0 0 4 -2,-0.3 3,-1.5 351,-0.2 315,-0.1 -0.918 37.6-102.8-137.1 161.3 100.4 21.4 89.0 13 13 A W T 3 S+ 0 0 75 -2,-0.3 314,-0.1 1,-0.3 -1,-0.1 0.869 116.3 46.2 -55.0 -43.7 100.5 25.0 87.7 14 14 A H T 3 S+ 0 0 61 -3,-0.0 -1,-0.3 2,-0.0 357,-0.1 0.096 76.6 145.9 -91.6 22.9 100.7 26.6 91.2 15 15 A L < - 0 0 17 -3,-1.5 2,-0.1 1,-0.1 354,-0.0 -0.266 61.8 -92.7 -55.7 147.7 103.4 24.4 92.7 16 16 A E - 0 0 146 1,-0.1 2,-1.7 2,-0.1 3,-0.3 -0.391 27.1-131.3 -64.2 136.2 105.7 26.3 95.1 17 17 A N + 0 0 49 1,-0.2 -1,-0.1 -3,-0.1 60,-0.1 -0.468 67.7 124.1 -86.7 65.2 108.8 27.7 93.4 18 18 A D S S- 0 0 67 -2,-1.7 -1,-0.2 58,-0.1 59,-0.1 0.378 73.4-126.1-104.4 3.3 111.1 26.3 96.1 19 19 A G S S+ 0 0 1 57,-1.3 60,-0.3 -3,-0.3 4,-0.2 0.661 84.6 105.9 62.5 15.9 113.3 24.3 93.8 20 20 A Q > + 0 0 88 -4,-0.2 4,-2.0 56,-0.2 58,-0.1 0.315 41.5 100.2-108.2 9.4 112.7 21.2 95.9 21 21 A H H > S+ 0 0 1 55,-0.3 4,-2.9 56,-0.3 5,-0.2 0.901 79.6 51.4 -63.9 -44.5 110.3 19.3 93.5 22 22 A W H > S+ 0 0 1 55,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.886 111.7 50.7 -60.6 -35.0 112.9 16.9 92.1 23 23 A N H > S+ 0 0 25 54,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.901 109.6 49.6 -68.1 -39.7 113.8 16.0 95.7 24 24 A R H X S+ 0 0 70 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.927 110.3 50.4 -63.1 -45.1 110.1 15.5 96.5 25 25 A L H X S+ 0 0 1 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.887 109.0 52.8 -59.9 -40.3 109.7 13.2 93.4 26 26 A H H < S+ 0 0 41 -4,-2.0 3,-0.5 1,-0.2 4,-0.3 0.913 112.1 43.7 -60.6 -47.2 112.8 11.2 94.5 27 27 A D H < S+ 0 0 110 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.697 112.5 54.1 -72.3 -21.1 111.4 10.6 98.0 28 28 A D H X S+ 0 0 23 -4,-1.6 4,-2.8 -5,-0.2 5,-0.2 0.631 81.0 94.4 -89.3 -14.8 107.9 9.8 96.7 29 29 A A H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.5 5,-0.2 0.864 85.4 45.0 -43.9 -55.7 109.1 7.1 94.2 30 30 A A H > S+ 0 0 57 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.952 115.8 46.9 -58.2 -51.5 108.5 4.1 96.5 31 31 A A H > S+ 0 0 55 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.882 111.4 51.8 -58.6 -41.4 105.1 5.3 97.7 32 32 A L H X>S+ 0 0 1 -4,-2.8 5,-2.5 2,-0.2 4,-0.9 0.931 110.1 48.0 -63.3 -45.8 104.0 6.1 94.1 33 33 A S H ><5S+ 0 0 33 -4,-2.3 3,-1.1 -5,-0.2 -2,-0.2 0.941 111.6 49.9 -60.1 -48.2 105.0 2.6 92.9 34 34 A D H 3<5S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.869 107.3 55.5 -59.0 -37.0 103.2 0.9 95.8 35 35 A A H 3<5S- 0 0 13 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.703 128.5 -95.8 -70.2 -19.6 100.1 3.0 95.1 36 36 A G T <<5S+ 0 0 3 -3,-1.1 2,-0.5 -4,-0.9 -3,-0.2 0.470 74.9 142.5 119.1 3.0 100.0 1.8 91.5 37 37 A I < + 0 0 2 -5,-2.5 -1,-0.3 -6,-0.2 -30,-0.2 -0.654 16.7 171.7 -79.6 125.7 101.8 4.5 89.5 38 38 A T + 0 0 21 -32,-2.6 58,-2.9 -2,-0.5 2,-0.3 0.510 63.0 31.1-111.2 -8.0 103.9 3.0 86.7 39 39 A A E -ac 7 96A 0 -33,-1.6 -31,-1.5 56,-0.3 2,-0.4 -0.989 62.1-152.6-152.3 142.0 105.0 6.1 84.8 40 40 A I E -ac 8 97A 0 56,-3.1 58,-3.0 -2,-0.3 2,-0.8 -0.964 5.8-153.4-119.9 130.5 105.8 9.7 85.7 41 41 A W E -ac 9 98A 2 -33,-2.5 -31,-1.6 -2,-0.4 58,-0.2 -0.910 20.3-157.6-101.9 108.0 105.4 12.6 83.3 42 42 A I E - c 0 99A 0 56,-2.1 58,-1.2 -2,-0.8 3,-0.2 -0.598 19.6-109.5 -85.9 149.0 107.8 15.3 84.5 43 43 A P - 0 0 0 0, 0.0 57,-0.3 0, 0.0 -1,-0.1 -0.166 61.3 -57.9 -70.0 170.8 107.3 18.9 83.6 44 44 A P - 0 0 1 0, 0.0 57,-0.1 0, 0.0 4,-0.1 -0.321 56.3-162.2 -49.7 123.7 109.6 20.7 81.1 45 45 A A + 0 0 0 55,-0.4 2,-0.2 -3,-0.2 30,-0.1 0.391 54.7 90.3 -95.9 3.2 112.9 20.2 83.0 46 46 A Y S S- 0 0 2 9,-0.2 18,-0.3 1,-0.1 15,-0.2 -0.602 90.1 -72.4-102.3 161.6 114.9 22.9 81.2 47 47 A K E -H 60 0B 0 16,-3.0 12,-2.5 13,-0.7 13,-1.8 -0.216 51.3-164.5 -53.3 124.8 115.5 26.6 81.9 48 48 A G E -H 58 0B 5 2,-0.4 10,-0.2 10,-0.3 -1,-0.1 -0.304 43.9 -76.0 -99.7-172.2 112.5 28.7 81.2 49 49 A N S S+ 0 0 70 8,-1.6 2,-0.3 -2,-0.1 9,-0.1 0.794 116.0 1.4 -55.5 -31.4 112.1 32.5 80.8 50 50 A S S > S- 0 0 47 7,-0.1 3,-1.2 1,-0.1 -2,-0.4 -0.944 82.3 -98.6-150.4 168.6 112.5 32.8 84.6 51 51 A Q T 3 S+ 0 0 61 19,-0.5 -32,-0.1 -2,-0.3 -1,-0.1 0.867 121.5 51.1 -58.6 -40.1 113.0 30.6 87.6 52 52 A A T 3 S+ 0 0 53 23,-0.1 -1,-0.3 24,-0.1 23,-0.1 0.494 80.7 124.2 -78.9 -4.8 109.3 30.6 88.4 53 53 A D < - 0 0 38 -3,-1.2 23,-0.4 1,-0.2 -5,-0.1 -0.305 65.2-135.6 -58.7 137.2 108.3 29.5 84.9 54 54 A V - 0 0 8 22,-0.1 -1,-0.2 1,-0.1 23,-0.0 0.759 56.3 -94.5 -65.7 -23.4 106.2 26.4 84.9 55 55 A G S S+ 0 0 3 -12,-0.1 3,-0.2 -10,-0.1 -9,-0.2 0.199 106.6 93.0 131.6 -17.3 108.4 25.2 82.0 56 56 A Y S S+ 0 0 24 1,-0.2 2,-1.3 2,-0.1 49,-0.1 0.667 70.9 73.4 -82.8 -16.0 106.5 26.2 78.8 57 57 A G S S- 0 0 6 -7,-0.1 -8,-1.6 49,-0.0 -1,-0.2 -0.359 84.9-170.5 -89.6 55.1 108.2 29.6 78.4 58 58 A A E +H 48 0B 1 -2,-1.3 49,-2.4 -10,-0.2 -10,-0.3 -0.276 24.1 164.8 -58.2 122.0 111.2 27.5 77.4 59 59 A Y E + 0 0 1 -12,-2.5 2,-0.5 47,-0.2 -11,-0.2 0.860 68.4 14.7-100.7 -60.7 114.5 29.3 77.0 60 60 A D E > -H 47 0B 1 -13,-1.8 3,-1.6 3,-0.2 -13,-0.7 -0.910 51.6-169.1-129.2 108.6 117.3 26.8 76.8 61 61 A L T 3 S+ 0 0 9 -2,-0.5 -1,-0.1 1,-0.3 -16,-0.1 0.634 91.5 56.3 -66.4 -14.9 116.6 23.1 76.2 62 62 A Y T 3 S+ 0 0 14 1,-0.1 2,-0.8 -15,-0.1 -1,-0.3 0.435 89.8 81.7 -96.5 -2.2 120.2 22.2 77.2 63 63 A D < + 0 0 0 -3,-1.6 -16,-3.0 -16,-0.1 -3,-0.2 -0.867 50.3 175.0-107.6 100.3 120.0 23.8 80.6 64 64 A L S S- 0 0 0 -2,-0.8 11,-0.2 -18,-0.3 19,-0.2 -0.095 80.2 -61.5 -95.5 37.0 118.4 21.4 83.0 65 65 A G S S+ 0 0 2 9,-0.2 15,-1.6 14,-0.2 16,-0.3 0.852 116.1 108.3 85.8 43.1 119.0 23.7 86.0 66 66 A E + 0 0 70 13,-0.2 2,-0.3 1,-0.2 8,-0.1 0.602 64.0 54.7-123.4 -23.0 122.7 23.5 85.6 67 67 A F S S- 0 0 28 6,-0.4 2,-1.3 5,-0.1 -1,-0.2 -0.874 83.0-110.5-120.6 150.9 123.7 27.0 84.4 68 68 A N + 0 0 113 77,-0.4 2,-0.3 -2,-0.3 5,-0.3 -0.643 65.4 133.3 -79.8 95.8 123.2 30.5 85.6 69 69 A Q B > +I 72 0C 10 3,-2.4 3,-0.9 -2,-1.3 -9,-0.1 -0.988 56.7 19.1-144.6 150.3 120.8 31.9 83.0 70 70 A K T 3 S- 0 0 57 -2,-0.3 -19,-0.5 1,-0.2 -1,-0.1 0.786 133.4 -54.9 60.1 30.0 117.5 33.8 83.1 71 71 A G T 3 S+ 0 0 75 1,-0.1 2,-0.3 -21,-0.1 -1,-0.2 0.659 122.9 60.7 81.5 18.3 118.3 34.9 86.7 72 72 A T B < -I 69 0C 11 -3,-0.9 -3,-2.4 1,-0.1 -1,-0.1 -0.989 58.6-147.8-167.5 159.1 118.8 31.5 88.2 73 73 A V S S+ 0 0 67 -2,-0.3 -6,-0.4 -5,-0.3 -7,-0.1 0.857 88.8 53.0 -93.5 -62.7 120.8 28.2 88.1 74 74 A R S S- 0 0 49 -8,-0.1 5,-0.2 -9,-0.1 -9,-0.2 -0.199 84.2-125.1 -68.2 160.6 118.0 25.8 89.1 75 75 A T - 0 0 6 3,-2.3 3,-0.4 -11,-0.2 -24,-0.1 -0.322 45.5 -83.6 -91.7-174.6 114.7 25.6 87.3 76 76 A K S S+ 0 0 13 -23,-0.4 -57,-1.3 -26,-0.2 -55,-0.3 0.858 132.2 47.0 -59.4 -31.7 111.5 26.0 89.3 77 77 A Y S S- 0 0 3 1,-0.3 -55,-2.3 -58,-0.2 -54,-0.4 0.685 119.8 -87.3 -86.4 -21.6 111.7 22.3 90.1 78 78 A G - 0 0 0 -3,-0.4 -3,-2.3 -57,-0.2 -1,-0.3 -0.917 56.2 -40.3 143.9-170.3 115.4 22.0 91.2 79 79 A T > - 0 0 44 -60,-0.3 4,-2.0 -2,-0.3 -13,-0.2 -0.368 51.1-109.1 -87.8 168.9 118.9 21.4 89.9 80 80 A K H > S+ 0 0 17 -15,-1.6 4,-2.3 1,-0.2 5,-0.2 0.899 119.3 52.0 -62.6 -42.4 120.0 19.0 87.1 81 81 A A H > S+ 0 0 64 -16,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.883 109.0 49.3 -63.9 -39.1 121.7 16.8 89.7 82 82 A Q H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 110.1 52.2 -67.3 -38.6 118.6 16.6 91.8 83 83 A L H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.922 109.6 48.0 -61.5 -46.5 116.5 15.7 88.7 84 84 A E H X S+ 0 0 71 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.860 111.3 51.2 -64.2 -35.4 118.9 12.8 87.8 85 85 A R H X S+ 0 0 127 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.918 110.1 49.7 -67.3 -42.4 118.8 11.6 91.4 86 86 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.922 110.9 49.2 -61.8 -44.7 115.0 11.6 91.3 87 87 A I H X S+ 0 0 9 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.903 108.0 54.3 -62.5 -40.6 115.0 9.7 88.0 88 88 A G H X S+ 0 0 39 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.925 108.9 49.0 -58.8 -43.6 117.4 7.2 89.4 89 89 A S H X S+ 0 0 17 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.881 110.0 50.5 -63.5 -40.0 114.9 6.6 92.3 90 90 A L H <>S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 3,-0.5 0.925 109.7 52.0 -64.7 -42.4 112.0 6.2 89.9 91 91 A K H ><5S+ 0 0 55 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.925 107.5 49.8 -59.4 -48.8 114.0 3.7 87.9 92 92 A S H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.733 110.2 53.7 -65.6 -18.5 114.8 1.5 90.9 93 93 A N T 3<5S- 0 0 40 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.122 120.0-108.1-101.7 20.3 111.1 1.6 91.8 94 94 A D T < 5S+ 0 0 131 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.917 71.7 139.0 55.8 51.9 110.0 0.4 88.4 95 95 A I < - 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