==== 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 1UD6 . 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) . 17583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 66.2 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 . 71 14.8 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 . 43 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.2 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 . 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 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 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 . 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 0 190 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 47.5 15.0 59.4 94.8 2 2 A G + 0 0 65 1,-0.3 3,-0.1 2,-0.0 413,-0.0 0.437 360.0 164.6 95.0 -0.1 12.9 60.7 97.7 3 3 A L - 0 0 73 1,-0.1 -1,-0.3 35,-0.0 386,-0.1 -0.225 43.4-106.9 -52.8 133.8 15.5 63.3 98.6 4 4 A N - 0 0 34 384,-0.3 2,-0.3 385,-0.3 -1,-0.1 -0.327 35.5-118.6 -63.1 145.3 14.2 66.0 100.9 5 5 A G - 0 0 24 -3,-0.1 2,-0.4 33,-0.1 -1,-0.1 -0.681 29.4-177.7 -91.9 139.3 13.6 69.4 99.3 6 6 A T - 0 0 2 -2,-0.3 32,-2.5 352,-0.1 33,-1.8 -0.967 9.7-157.3-137.8 120.1 15.4 72.5 100.4 7 7 A M E -ab 39 360A 0 352,-3.0 354,-4.1 -2,-0.4 2,-0.4 -0.617 3.6-158.9 -94.3 153.8 14.7 75.9 98.8 8 8 A M E -ab 40 361A 0 31,-1.6 33,-2.7 352,-0.3 2,-1.0 -0.984 16.4-142.1-137.9 125.2 17.1 78.8 98.8 9 9 A Q E -ab 41 362A 0 352,-2.5 354,-2.0 -2,-0.4 2,-1.6 -0.773 23.6-152.3 -82.1 105.7 16.3 82.5 98.3 10 10 A Y + 0 0 5 31,-1.6 2,-0.3 -2,-1.0 -1,-0.1 -0.361 62.1 42.2 -83.1 59.9 19.4 83.5 96.2 11 11 A Y - 0 0 0 -2,-1.6 353,-0.5 31,-0.1 352,-0.4 -0.909 58.7-148.6 175.6 160.6 19.8 87.1 97.1 12 12 A E > - 0 0 6 -2,-0.3 3,-1.3 351,-0.2 315,-0.1 -0.906 37.2-102.6-137.0 164.1 19.6 89.6 99.9 13 13 A W T 3 S+ 0 0 75 -2,-0.3 314,-0.1 1,-0.2 -1,-0.1 0.863 115.7 48.4 -59.1 -40.0 18.6 93.3 100.0 14 14 A H T 3 S+ 0 0 65 -3,-0.0 -1,-0.2 2,-0.0 357,-0.2 0.079 76.1 143.3 -93.7 26.4 22.1 94.8 100.1 15 15 A L < - 0 0 19 -3,-1.3 2,-0.1 1,-0.1 354,-0.0 -0.247 61.3 -94.4 -58.3 153.1 23.6 92.7 97.2 16 16 A E - 0 0 138 1,-0.1 2,-1.5 2,-0.0 3,-0.3 -0.457 24.8-130.9 -72.3 141.4 26.1 94.7 95.1 17 17 A N + 0 0 55 1,-0.2 -1,-0.1 -2,-0.1 60,-0.1 -0.512 69.7 120.5 -90.3 66.4 24.7 96.3 92.0 18 18 A D S S- 0 0 65 -2,-1.5 -1,-0.2 58,-0.2 59,-0.1 0.300 75.9-126.0-110.4 7.3 27.4 94.9 89.7 19 19 A G S S+ 0 0 2 57,-1.3 60,-0.3 -3,-0.3 58,-0.2 0.729 83.6 107.9 55.1 24.8 25.1 93.0 87.4 20 20 A Q > + 0 0 86 56,-0.3 4,-1.9 -4,-0.2 58,-0.1 0.319 40.8 98.4-112.1 6.8 27.1 89.8 88.1 21 21 A H H > S+ 0 0 1 55,-0.4 4,-2.4 56,-0.2 5,-0.2 0.863 79.7 54.2 -64.8 -36.9 24.6 87.9 90.3 22 22 A W H > S+ 0 0 0 55,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.906 109.9 49.7 -64.2 -36.5 23.2 85.7 87.5 23 23 A N H > S+ 0 0 26 54,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.895 107.9 52.4 -68.6 -38.2 26.8 84.6 86.7 24 24 A R H X S+ 0 0 74 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.948 108.9 51.3 -60.4 -46.9 27.4 83.9 90.4 25 25 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.3 0.925 108.7 51.4 -55.1 -47.5 24.3 81.7 90.4 26 26 A H H < S+ 0 0 41 -4,-2.2 3,-0.4 1,-0.2 4,-0.4 0.915 114.0 42.6 -58.0 -44.6 25.6 79.9 87.3 27 27 A D H < S+ 0 0 115 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.699 114.3 52.1 -75.6 -18.9 29.0 79.1 88.9 28 28 A D H X S+ 0 0 28 -4,-1.8 4,-2.9 -3,-0.3 5,-0.3 0.625 81.8 94.7 -92.5 -14.7 27.4 78.2 92.2 29 29 A A H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.4 5,-0.2 0.887 86.4 43.7 -41.5 -63.2 24.9 75.7 90.9 30 30 A A H > S+ 0 0 54 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.931 114.7 48.6 -51.8 -54.9 27.0 72.5 91.4 31 31 A A H > S+ 0 0 55 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.894 113.0 49.0 -55.5 -41.7 28.2 73.5 94.9 32 32 A L H X>S+ 0 0 1 -4,-2.9 5,-2.6 2,-0.2 4,-0.8 0.869 111.6 48.3 -67.6 -37.3 24.6 74.3 95.9 33 33 A S H ><5S+ 0 0 34 -4,-2.5 3,-1.1 -5,-0.3 -2,-0.2 0.955 111.7 50.0 -65.8 -48.9 23.3 71.0 94.6 34 34 A D H 3<5S+ 0 0 130 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.852 107.2 55.7 -57.7 -37.3 26.1 69.2 96.4 35 35 A A H 3<5S- 0 0 14 -4,-2.0 -1,-0.3 -5,-0.2 354,-0.2 0.685 127.7 -91.6 -72.9 -18.7 25.2 71.0 99.6 36 36 A G T <<5S+ 0 0 2 -3,-1.1 2,-0.5 -4,-0.8 -3,-0.2 0.458 77.5 139.4 122.1 2.7 21.6 69.9 99.6 37 37 A I < + 0 0 2 -5,-2.6 -1,-0.3 -6,-0.2 -30,-0.2 -0.694 17.5 170.3 -81.8 127.4 19.8 72.7 97.8 38 38 A T + 0 0 25 -32,-2.5 58,-3.1 -2,-0.5 2,-0.3 0.597 62.6 33.2-110.6 -17.5 17.1 71.4 95.5 39 39 A A E -ac 7 96A 0 -33,-1.8 -31,-1.6 56,-0.3 2,-0.5 -1.000 62.2-152.5-144.0 142.1 15.3 74.6 94.4 40 40 A I E -ac 8 97A 0 56,-3.4 58,-3.0 -2,-0.3 2,-0.8 -0.957 4.3-155.9-118.4 125.6 16.3 78.2 93.9 41 41 A W E -ac 9 98A 2 -33,-2.7 -31,-1.6 -2,-0.5 58,-0.2 -0.881 19.6-158.7 -98.7 109.0 14.0 81.1 94.3 42 42 A I E - c 0 99A 0 56,-2.2 58,-0.7 -2,-0.8 3,-0.1 -0.587 18.7-110.0 -87.8 152.7 15.3 84.0 92.1 43 43 A P - 0 0 0 0, 0.0 57,-0.4 0, 0.0 -1,-0.1 -0.174 61.5 -57.4 -72.0 171.6 14.4 87.6 92.7 44 44 A P - 0 0 1 0, 0.0 57,-0.1 0, 0.0 4,-0.1 -0.348 55.8-163.3 -51.3 121.3 12.2 89.6 90.3 45 45 A A + 0 0 1 55,-0.4 2,-0.2 -3,-0.1 30,-0.1 0.347 54.7 89.7 -94.3 5.5 14.2 89.2 87.1 46 46 A Y S S- 0 0 2 9,-0.2 18,-0.3 18,-0.1 2,-0.2 -0.587 89.9 -71.1-102.9 166.0 12.6 92.0 85.2 47 47 A K E -I 60 0B 1 16,-2.9 12,-2.4 13,-0.8 13,-1.9 -0.304 52.6-167.1 -59.1 119.6 13.3 95.7 84.8 48 48 A G E -I 58 0B 4 2,-0.4 10,-0.2 10,-0.3 -1,-0.1 -0.286 45.0 -72.5 -98.5-174.0 12.6 97.8 87.8 49 49 A N S S- 0 0 66 8,-2.1 2,-0.3 -2,-0.1 9,-0.1 0.771 116.5 -7.3 -47.3 -33.8 12.3 101.5 88.6 50 50 A S S > S- 0 0 50 7,-0.1 3,-1.2 1,-0.1 -2,-0.4 -0.938 80.9 -94.1-154.9 173.1 16.1 101.7 88.2 51 51 A Q T 3 S+ 0 0 55 19,-0.4 25,-0.3 -2,-0.3 -32,-0.1 0.894 121.7 51.9 -61.5 -43.0 19.0 99.4 87.8 52 52 A A T 3 S+ 0 0 55 23,-0.1 -1,-0.3 24,-0.1 2,-0.1 0.456 82.6 123.0 -76.2 0.6 19.8 99.2 91.5 53 53 A D < - 0 0 38 -3,-1.2 23,-0.5 1,-0.1 -5,-0.2 -0.385 66.1-136.0 -65.8 138.6 16.2 98.2 92.2 54 54 A V - 0 0 8 -2,-0.1 -1,-0.1 22,-0.1 -3,-0.0 0.735 55.6 -94.3 -67.9 -20.4 15.9 94.9 94.1 55 55 A G S S+ 0 0 3 -12,-0.1 3,-0.2 -5,-0.1 -9,-0.2 0.163 105.7 92.7 130.4 -18.0 13.1 94.0 91.7 56 56 A Y S S+ 0 0 26 1,-0.2 2,-1.6 2,-0.1 49,-0.2 0.717 71.7 71.3 -81.2 -21.9 9.9 95.0 93.5 57 57 A G S S- 0 0 5 -7,-0.1 -8,-2.1 49,-0.1 -1,-0.2 -0.366 86.2-170.0 -87.3 56.4 9.6 98.5 92.0 58 58 A A E +I 48 0B 2 -2,-1.6 49,-1.9 -10,-0.2 -10,-0.3 -0.307 23.3 169.3 -59.2 117.9 8.7 96.5 88.8 59 59 A Y E + 0 0 0 -12,-2.4 2,-0.4 47,-0.2 -11,-0.2 0.925 69.5 11.8 -91.1 -63.0 8.6 98.6 85.7 60 60 A D E > -I 47 0B 1 -13,-1.9 3,-2.6 3,-0.2 -13,-0.8 -0.846 53.1-165.3-129.9 101.4 8.4 96.2 82.7 61 61 A L T 3 S+ 0 0 11 -2,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.612 92.5 56.1 -54.7 -15.1 7.6 92.5 83.3 62 62 A Y T 3 S+ 0 0 11 1,-0.1 2,-0.8 -15,-0.1 -1,-0.3 0.480 89.0 82.1 -98.2 -4.6 8.8 91.7 79.7 63 63 A D < + 0 0 0 -3,-2.6 -16,-2.9 -16,-0.1 2,-0.2 -0.856 49.9 174.3-104.2 100.5 12.2 93.3 80.1 64 64 A L S S- 0 0 0 -2,-0.8 19,-0.2 -18,-0.3 11,-0.2 -0.236 79.5 -60.6 -99.2 45.1 14.5 90.7 81.8 65 65 A G S S+ 0 0 2 -2,-0.2 15,-1.8 8,-0.2 16,-0.3 0.887 116.8 105.2 80.0 42.1 17.7 92.8 81.4 66 66 A E + 0 0 73 7,-0.2 2,-0.3 13,-0.2 8,-0.1 0.572 65.5 56.6-125.0 -22.0 17.5 92.9 77.6 67 67 A F S S- 0 0 29 6,-0.5 2,-1.4 5,-0.1 -1,-0.1 -0.859 82.4-112.6-118.8 151.6 16.3 96.4 76.7 68 68 A N + 0 0 108 -2,-0.3 2,-0.3 77,-0.3 5,-0.3 -0.657 63.8 135.4 -82.6 92.3 17.6 99.9 77.5 69 69 A Q B > +J 72 0C 7 3,-2.2 3,-0.7 -2,-1.4 76,-0.1 -0.984 57.7 16.3-139.5 148.7 14.9 101.2 79.8 70 70 A K T 3 S- 0 0 55 -2,-0.3 -19,-0.4 1,-0.2 -1,-0.1 0.770 134.0 -52.6 61.2 28.3 14.9 103.1 83.1 71 71 A G T 3 S+ 0 0 75 -21,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.675 123.1 57.2 85.7 19.6 18.6 104.0 82.6 72 72 A T B < -J 69 0C 12 -3,-0.7 -3,-2.2 1,-0.1 -1,-0.1 -0.963 60.1-143.7-173.6 154.7 20.0 100.6 81.9 73 73 A V S S+ 0 0 66 -2,-0.3 -6,-0.5 -5,-0.3 -7,-0.2 0.917 89.5 49.9 -86.3 -64.0 19.9 97.5 79.8 74 74 A R S S- 0 0 48 -9,-0.2 5,-0.2 -8,-0.1 -9,-0.2 -0.184 83.3-123.5 -71.7 163.6 20.6 94.8 82.5 75 75 A T - 0 0 7 3,-2.1 3,-0.5 -11,-0.2 -24,-0.1 -0.347 46.0 -82.3 -94.1-176.9 18.8 94.6 85.8 76 76 A K S S+ 0 0 10 -23,-0.5 -57,-1.3 -25,-0.3 -55,-0.4 0.838 132.3 46.7 -55.9 -32.5 20.6 94.7 89.1 77 77 A Y S S- 0 0 3 1,-0.3 -55,-2.3 -58,-0.2 -54,-0.4 0.721 118.6 -93.5 -86.2 -24.1 21.4 91.0 88.7 78 78 A G - 0 0 0 -3,-0.5 -3,-2.1 -57,-0.2 -1,-0.3 -0.947 54.8 -30.9 144.6-165.6 22.6 90.9 85.1 79 79 A T > - 0 0 42 -60,-0.3 4,-1.8 -2,-0.3 3,-0.2 -0.432 51.3-112.4 -89.2 164.6 21.5 90.4 81.5 80 80 A K H > S+ 0 0 15 -15,-1.8 4,-1.8 1,-0.2 5,-0.2 0.882 118.2 53.2 -60.8 -38.9 18.7 88.2 80.1 81 81 A A H > S+ 0 0 63 -16,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.832 108.4 48.8 -67.4 -32.3 21.3 85.9 78.5 82 82 A Q H > S+ 0 0 45 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.826 109.2 53.1 -76.8 -30.8 23.2 85.5 81.7 83 83 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.877 110.9 46.1 -69.9 -38.1 20.0 84.6 83.6 84 84 A E H X S+ 0 0 70 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.811 111.5 52.4 -72.6 -31.4 19.2 81.9 81.0 85 85 A R H X S+ 0 0 124 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.906 111.0 48.1 -69.7 -40.9 22.7 80.7 81.2 86 86 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.956 110.8 49.4 -62.6 -52.4 22.3 80.5 85.0 87 87 A I H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.880 108.8 53.4 -56.4 -40.2 19.0 78.6 84.8 88 88 A G H X S+ 0 0 38 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.912 108.8 49.8 -62.1 -40.0 20.4 76.1 82.4 89 89 A S H X S+ 0 0 18 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.913 109.7 50.5 -64.9 -42.7 23.2 75.5 84.8 90 90 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.7 0.903 110.0 51.2 -61.3 -42.6 20.8 75.0 87.7 91 91 A K H ><5S+ 0 0 56 -4,-2.4 3,-2.6 1,-0.3 -2,-0.2 0.945 105.7 52.9 -60.7 -50.9 18.7 72.5 85.6 92 92 A S H 3<5S+ 0 0 91 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.652 110.1 51.5 -62.0 -12.2 21.7 70.4 84.6 93 93 A N T <<5S- 0 0 42 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.140 120.9-109.2-109.2 17.0 22.4 70.2 88.4 94 94 A D T < 5 + 0 0 137 -3,-2.6 2,-0.5 1,-0.2 -3,-0.2 0.860 69.7 142.7 58.8 42.1 18.9 69.1 89.2 95 95 A I < - 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