==== 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 1UD8 . 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) . 17423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 15.0 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 . 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 . 43 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 20.4 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 2 0 0 0 0 0 1 1 0 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 2 2 0 4 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 0 180 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 62.6 139.1 81.1 28.5 2 2 A G + 0 0 67 1,-0.2 2,-0.1 414,-0.0 3,-0.1 0.536 360.0 153.9 56.5 2.8 138.5 79.2 31.7 3 3 A L - 0 0 74 1,-0.1 -1,-0.2 387,-0.0 386,-0.1 -0.432 50.4-109.1 -65.2 132.4 135.9 81.9 32.4 4 4 A N - 0 0 33 384,-0.4 2,-0.3 385,-0.3 -1,-0.1 -0.311 32.8-122.3 -62.5 144.5 133.1 80.6 34.6 5 5 A G - 0 0 25 -3,-0.1 2,-0.4 32,-0.1 32,-0.1 -0.710 28.0-178.7 -95.2 141.1 129.7 80.0 33.0 6 6 A T - 0 0 2 -2,-0.3 32,-2.4 30,-0.1 33,-1.6 -0.975 10.9-154.4-141.2 123.5 126.6 81.7 34.1 7 7 A M E -ab 39 360A 1 352,-2.7 354,-3.5 -2,-0.4 2,-0.4 -0.675 3.5-156.6 -99.4 150.5 123.2 81.2 32.5 8 8 A M E -ab 40 361A 0 31,-2.4 33,-3.4 -2,-0.3 2,-1.1 -0.987 15.8-142.9-131.8 129.1 120.2 83.5 32.4 9 9 A Q E -ab 41 362A 0 352,-2.4 2,-1.6 -2,-0.4 354,-1.4 -0.787 24.1-153.9 -84.1 104.1 116.5 82.7 31.9 10 10 A Y + 0 0 5 31,-1.7 2,-0.3 -2,-1.1 -1,-0.1 -0.383 61.7 44.8 -84.4 62.7 115.6 85.8 29.8 11 11 A Y - 0 0 0 -2,-1.6 353,-0.5 31,-0.1 352,-0.5 -0.895 59.3-149.9 175.0 159.1 111.9 86.1 30.6 12 12 A E > - 0 0 3 -2,-0.3 3,-1.3 351,-0.2 315,-0.0 -0.905 36.5-102.2-137.1 164.7 109.4 86.1 33.5 13 13 A W T 3 S+ 0 0 70 -2,-0.3 -1,-0.1 1,-0.3 314,-0.0 0.891 116.3 45.0 -58.0 -44.9 105.8 85.1 33.7 14 14 A H T 3 S+ 0 0 58 -3,-0.0 -1,-0.3 2,-0.0 357,-0.2 -0.033 78.1 143.2 -93.7 31.7 104.3 88.6 33.7 15 15 A L < - 0 0 19 -3,-1.3 2,-0.2 1,-0.1 354,-0.0 -0.252 62.0 -89.0 -62.8 159.6 106.4 90.0 30.9 16 16 A E - 0 0 135 1,-0.1 2,-1.2 2,-0.0 3,-0.4 -0.479 23.4-135.8 -74.1 140.7 104.5 92.5 28.6 17 17 A N S S+ 0 0 54 1,-0.2 -1,-0.1 -2,-0.2 60,-0.1 -0.400 70.5 118.9 -90.4 56.1 102.8 91.0 25.6 18 18 A D S S- 0 0 68 -2,-1.2 -1,-0.2 58,-0.2 59,-0.1 0.346 78.6-126.4-101.3 4.3 104.2 93.8 23.4 19 19 A G S S+ 0 0 2 57,-1.3 60,-0.3 -3,-0.4 4,-0.2 0.704 83.9 108.5 57.6 22.4 106.1 91.4 21.2 20 20 A Q > + 0 0 82 56,-0.3 4,-1.9 -4,-0.2 3,-0.2 0.411 40.4 96.7-107.5 -0.5 109.2 93.5 21.9 21 21 A H H > S+ 0 0 0 55,-0.4 4,-2.1 -5,-0.2 57,-0.2 0.844 80.7 54.9 -60.4 -36.6 111.1 91.0 24.1 22 22 A W H > S+ 0 0 0 55,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.918 109.8 48.1 -64.9 -38.4 113.2 89.6 21.2 23 23 A N H > S+ 0 0 25 54,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.869 106.9 55.9 -68.3 -35.2 114.4 93.1 20.4 24 24 A R H >X S+ 0 0 72 -4,-1.9 4,-2.6 1,-0.2 3,-0.5 0.926 107.6 50.6 -59.8 -43.7 115.1 93.7 24.1 25 25 A L H 3X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.904 105.2 56.3 -60.8 -43.8 117.4 90.7 24.0 26 26 A H H 3< S+ 0 0 42 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.796 115.8 36.6 -61.6 -27.4 119.1 92.0 20.9 27 27 A D H S+ 0 0 49 -4,-0.3 4,-3.5 -3,-0.3 5,-0.3 0.916 116.2 54.6 -51.4 -51.3 126.5 93.1 25.2 31 31 A A H X S+ 0 0 53 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.927 112.1 45.7 -49.5 -47.5 125.4 94.5 28.6 32 32 A L H X>S+ 0 0 0 -4,-2.9 5,-2.4 2,-0.2 4,-0.8 0.897 112.8 48.2 -64.3 -43.4 124.6 90.9 29.6 33 33 A S H ><5S+ 0 0 32 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.980 111.7 52.5 -57.6 -54.1 127.8 89.5 28.2 34 34 A D H 3<5S+ 0 0 129 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.772 103.6 56.2 -50.7 -37.0 129.7 92.3 30.0 35 35 A A H 3<5S- 0 0 18 -4,-1.7 -1,-0.3 -5,-0.3 354,-0.2 0.675 128.7 -90.5 -75.7 -16.5 128.0 91.5 33.4 36 36 A G T <<5S+ 0 0 1 -3,-1.8 2,-0.5 -4,-0.8 -3,-0.2 0.465 80.0 139.7 119.7 6.0 129.2 87.9 33.3 37 37 A I < + 0 0 1 -5,-2.4 -1,-0.3 -6,-0.2 -30,-0.2 -0.728 18.0 170.1 -84.8 123.2 126.3 86.1 31.5 38 38 A T + 0 0 26 -32,-2.4 58,-2.8 -2,-0.5 2,-0.3 0.584 62.8 31.6-108.7 -14.2 127.6 83.5 29.0 39 39 A A E -ac 7 96A 0 -33,-1.6 -31,-2.4 56,-0.3 2,-0.4 -0.987 61.9-154.1-149.2 136.1 124.4 81.7 28.0 40 40 A I E -ac 8 97A 0 56,-2.9 58,-2.8 -2,-0.3 2,-0.7 -0.899 7.3-151.2-111.3 136.5 120.8 82.7 27.7 41 41 A W E -ac 9 98A 2 -33,-3.4 -31,-1.7 -2,-0.4 58,-0.2 -0.936 21.2-155.3-104.7 112.0 117.9 80.3 28.0 42 42 A I E - c 0 99A 0 56,-1.9 58,-0.6 -2,-0.7 3,-0.1 -0.557 16.5-111.6 -88.1 155.1 115.0 81.7 25.8 43 43 A P - 0 0 0 0, 0.0 57,-0.4 0, 0.0 12,-0.1 -0.204 61.4 -56.3 -75.5 172.4 111.3 80.9 26.4 44 44 A P - 0 0 1 0, 0.0 57,-0.1 0, 0.0 4,-0.1 -0.329 54.3-164.3 -51.6 122.8 109.3 78.7 24.1 45 45 A A + 0 0 1 55,-0.4 2,-0.2 -3,-0.1 30,-0.1 0.272 55.4 86.9 -96.5 11.1 109.8 80.6 20.7 46 46 A Y S S- 0 0 3 18,-0.2 18,-0.3 9,-0.2 15,-0.2 -0.722 91.5 -69.2-111.5 162.0 106.9 78.9 18.8 47 47 A K E -I 60 0B 1 16,-2.9 12,-3.0 13,-0.8 13,-1.9 -0.212 52.4-165.6 -52.9 121.0 103.2 79.6 18.5 48 48 A G E -I 58 0B 5 2,-0.4 10,-0.3 10,-0.3 -1,-0.1 -0.287 44.5 -73.9 -97.8-175.1 101.2 79.0 21.6 49 49 A N S S- 0 0 61 8,-2.0 2,-0.3 -2,-0.1 9,-0.1 0.846 116.5 -7.8 -44.8 -44.3 97.5 78.7 22.3 50 50 A S S > S- 0 0 56 7,-0.1 3,-1.1 21,-0.1 -2,-0.4 -0.878 82.1 -94.9-145.0 175.4 97.2 82.4 21.9 51 51 A Q T 3 S+ 0 0 54 19,-0.4 25,-0.3 -2,-0.3 -32,-0.1 0.885 121.2 55.4 -65.2 -39.7 99.6 85.3 21.4 52 52 A A T 3 S+ 0 0 54 23,-0.1 -1,-0.2 24,-0.1 2,-0.1 0.493 83.3 123.2 -74.1 1.4 99.7 86.3 25.1 53 53 A D < - 0 0 35 -3,-1.1 23,-0.5 1,-0.1 -5,-0.1 -0.367 65.0-139.0 -65.9 138.9 100.8 82.7 25.8 54 54 A V - 0 0 10 22,-0.1 -1,-0.1 21,-0.1 -3,-0.0 0.696 55.0 -95.7 -71.7 -19.0 104.0 82.3 27.7 55 55 A G S S+ 0 0 2 -12,-0.1 3,-0.2 -10,-0.1 -9,-0.2 0.120 107.1 90.3 129.9 -23.7 105.0 79.4 25.4 56 56 A Y S S+ 0 0 25 1,-0.3 2,-0.9 2,-0.1 49,-0.1 0.644 73.2 74.6 -80.6 -13.8 104.0 76.2 27.3 57 57 A G S S- 0 0 6 -7,-0.1 -8,-2.0 49,-0.0 -1,-0.3 -0.290 84.7-174.1 -89.5 49.4 100.5 76.3 25.7 58 58 A A E +I 48 0B 3 -2,-0.9 49,-2.6 -10,-0.3 -10,-0.3 -0.182 24.1 161.5 -54.5 130.1 102.4 75.1 22.6 59 59 A Y E + 0 0 1 -12,-3.0 2,-0.4 47,-0.2 -11,-0.2 0.761 68.6 16.3-114.2 -54.3 100.4 74.9 19.4 60 60 A D E > -I 47 0B 1 -13,-1.9 3,-2.7 3,-0.2 -13,-0.8 -0.781 53.9-168.5-133.6 94.5 102.7 74.8 16.4 61 61 A L T 3 S+ 0 0 11 -2,-0.4 -1,-0.1 1,-0.3 -16,-0.1 0.516 91.3 54.5 -56.2 -7.9 106.4 74.1 17.0 62 62 A Y T 3 S+ 0 0 12 1,-0.1 2,-1.1 -15,-0.1 -1,-0.3 0.514 89.1 83.8-102.9 -9.1 107.2 75.2 13.4 63 63 A D < + 0 0 0 -3,-2.7 -16,-2.9 -16,-0.1 2,-0.9 -0.755 51.4 173.9 -97.8 89.8 105.6 78.6 13.8 64 64 A L S S- 0 0 0 -2,-1.1 19,-0.2 -18,-0.3 11,-0.2 -0.301 79.4 -62.5 -91.1 51.3 108.2 80.8 15.4 65 65 A G S S+ 0 0 1 -2,-0.9 15,-1.9 9,-0.2 16,-0.3 0.922 117.5 106.7 70.7 44.5 106.1 83.9 15.1 66 66 A E + 0 0 71 1,-0.2 2,-0.4 13,-0.2 8,-0.1 0.565 65.1 56.4-125.1 -23.9 106.1 83.7 11.3 67 67 A F S S- 0 0 29 6,-0.4 2,-1.4 5,-0.1 -1,-0.2 -0.917 84.1-114.0-119.5 142.2 102.6 82.6 10.4 68 68 A N + 0 0 110 -2,-0.4 2,-0.3 77,-0.3 5,-0.3 -0.571 64.0 139.8 -71.3 93.7 99.2 84.1 11.3 69 69 A Q B > +J 72 0C 9 3,-3.2 3,-1.0 -2,-1.4 -9,-0.1 -0.993 53.8 15.6-141.0 148.5 97.9 81.4 13.5 70 70 A K T 3 S- 0 0 55 -2,-0.3 -19,-0.4 1,-0.2 -1,-0.1 0.843 135.3 -50.8 58.8 36.7 95.9 81.3 16.8 71 71 A G T 3 S+ 0 0 79 1,-0.1 2,-0.3 -21,-0.1 -1,-0.2 0.542 125.4 65.6 82.3 9.2 95.0 84.9 16.4 72 72 A T B < -J 69 0C 9 -3,-1.0 -3,-3.2 -5,-0.1 -1,-0.1 -0.998 56.2-154.1-159.9 158.4 98.5 86.2 15.7 73 73 A V S S+ 0 0 65 -2,-0.3 -6,-0.4 -5,-0.3 -1,-0.1 0.829 88.3 51.8 -97.2 -48.9 101.5 86.2 13.5 74 74 A R S S- 0 0 51 -8,-0.1 5,-0.2 1,-0.1 -9,-0.2 -0.421 82.6-123.1 -86.7 162.0 104.1 87.0 16.2 75 75 A T - 0 0 7 3,-2.3 3,-0.5 -11,-0.2 -24,-0.1 -0.371 43.7 -90.0 -90.2 178.5 104.6 85.2 19.5 76 76 A K S S+ 0 0 11 -23,-0.5 -57,-1.3 -25,-0.3 -55,-0.4 0.810 131.2 48.9 -60.0 -26.8 104.3 87.1 22.8 77 77 A Y S S- 0 0 3 1,-0.3 -55,-2.6 -58,-0.2 -54,-0.4 0.724 120.7 -94.3 -87.4 -23.3 108.1 87.7 22.4 78 78 A G - 0 0 0 -3,-0.5 -3,-2.3 -57,-0.2 -1,-0.3 -0.926 54.0 -34.4 141.6-167.2 108.1 88.9 18.9 79 79 A T > - 0 0 43 -60,-0.3 4,-1.8 -2,-0.3 -13,-0.2 -0.397 51.3-110.1 -89.5 168.3 108.6 87.8 15.3 80 80 A K H > S+ 0 0 15 -15,-1.9 4,-2.4 1,-0.2 5,-0.2 0.922 119.4 51.8 -61.5 -45.5 110.8 85.1 13.8 81 81 A A H > S+ 0 0 63 -16,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.875 109.6 49.7 -60.7 -36.3 113.0 87.7 12.2 82 82 A Q H > S+ 0 0 45 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.834 110.2 51.0 -72.6 -30.0 113.4 89.5 15.4 83 83 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.892 112.0 46.0 -71.9 -40.3 114.3 86.3 17.2 84 84 A E H X S+ 0 0 71 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.850 111.3 52.4 -69.9 -35.1 117.0 85.5 14.7 85 85 A R H X S+ 0 0 123 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.884 112.2 47.3 -66.9 -38.0 118.3 89.0 14.8 86 86 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 3,-0.5 0.978 109.3 50.6 -66.1 -57.3 118.5 88.6 18.6 87 87 A I H X S+ 0 0 8 -4,-2.9 4,-2.0 1,-0.3 -1,-0.2 0.799 108.1 55.6 -52.1 -31.9 120.2 85.2 18.5 88 88 A G H X S+ 0 0 32 -4,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.936 106.7 49.3 -67.3 -44.3 122.8 86.7 16.1 89 89 A S H X S+ 0 0 21 -4,-1.5 4,-1.3 -3,-0.5 -2,-0.2 0.923 109.2 52.0 -59.9 -46.8 123.6 89.5 18.6 90 90 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 3,-0.6 0.930 108.5 51.5 -55.5 -47.9 124.0 87.0 21.4 91 91 A K H ><5S+ 0 0 61 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.933 107.7 51.7 -55.7 -49.1 126.5 85.0 19.3 92 92 A S H 3<5S+ 0 0 92 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.757 110.6 50.0 -61.2 -24.4 128.5 88.1 18.5 93 93 A N T <<5S- 0 0 44 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 -0.034 121.6-106.4-105.3 30.5 128.7 88.8 22.2 94 94 A D T < 5S+ 0 0 131 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.853 72.5 139.6 48.4 49.5 129.8 85.3 23.2 95 95 A I < - 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