==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-OCT-11 3UER . COMPND 2 MOLECULE: AMYLOSUCRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS GEOTHERMALIS; . AUTHOR F.GUERIN,S.PIZZUT-SERIN,G.POTOCKI-VERONESE,V.GUILLET,L.MOURE . 651 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 473 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 3 2 2 3 2 1 0 0 2 2 1 0 1 2 0 0 1 1 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 4 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 0 1 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 -4 A G > 0 0 88 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-159.6 6.0 19.7 -63.1 2 -3 A P H > + 0 0 113 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.826 360.0 51.7 -56.4 -44.1 5.5 15.9 -63.6 3 -2 A L H > S+ 0 0 157 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.968 116.3 40.8 -59.8 -53.2 9.2 14.8 -63.7 4 -1 A G H > S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.884 115.3 52.9 -55.8 -48.1 9.9 16.6 -60.4 5 0 A S H X S+ 0 0 69 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.862 106.6 51.5 -52.1 -51.9 6.5 15.4 -58.9 6 1 A M H X S+ 0 0 49 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.859 109.4 50.1 -58.4 -41.1 7.2 11.7 -59.7 7 2 A L H X S+ 0 0 128 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.899 110.7 49.3 -65.6 -39.9 10.7 11.8 -58.0 8 3 A K H X S+ 0 0 74 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.919 109.6 53.1 -66.5 -41.1 9.2 13.4 -54.9 9 4 A D H X S+ 0 0 108 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.909 108.7 48.8 -54.7 -50.8 6.5 10.6 -54.9 10 5 A V H X S+ 0 0 88 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.914 111.5 50.2 -59.7 -44.7 9.1 7.9 -55.1 11 6 A L H X S+ 0 0 23 -4,-2.2 4,-3.1 2,-0.2 3,-0.2 0.959 109.2 50.9 -58.7 -54.6 11.0 9.5 -52.2 12 7 A T H X S+ 0 0 80 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.921 112.2 46.7 -49.3 -47.2 7.9 9.8 -50.0 13 8 A S H X S+ 0 0 76 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.825 110.2 52.2 -72.8 -26.7 7.1 6.2 -50.5 14 9 A E H X S+ 0 0 49 -4,-2.0 4,-1.9 -3,-0.2 -1,-0.2 0.922 110.8 48.9 -69.9 -40.4 10.7 5.1 -49.8 15 10 A L H X S+ 0 0 18 -4,-3.1 4,-1.9 1,-0.2 3,-0.2 0.973 113.2 47.4 -60.4 -48.0 10.5 7.1 -46.5 16 11 A A H X S+ 0 0 35 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.876 109.9 52.9 -57.6 -44.2 7.1 5.4 -45.6 17 12 A A H X S+ 0 0 50 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.878 107.4 50.4 -62.0 -41.9 8.4 2.0 -46.5 18 13 A Q H X S+ 0 0 49 -4,-1.9 4,-1.1 -3,-0.2 -1,-0.2 0.900 111.9 48.4 -67.1 -39.8 11.5 2.3 -44.2 19 14 A V H >X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 3,-0.6 0.959 113.5 45.4 -63.5 -53.6 9.3 3.4 -41.2 20 15 A R H >< S+ 0 0 106 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.937 110.4 54.1 -57.8 -45.2 6.7 0.6 -41.6 21 16 A D H 3< S+ 0 0 146 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.797 104.4 58.9 -55.9 -29.4 9.5 -2.1 -42.1 22 17 A A H << S+ 0 0 34 -4,-1.1 2,-0.4 -3,-0.6 -1,-0.2 0.639 99.2 60.9 -79.5 -18.2 11.0 -0.8 -38.8 23 18 A F << - 0 0 12 -3,-1.3 -1,-0.1 -4,-0.7 6,-0.0 -0.936 47.5-172.9-118.7 131.0 8.0 -1.5 -36.5 24 19 A D S S+ 0 0 165 -2,-0.4 2,-0.7 1,-0.1 -1,-0.1 0.845 82.5 70.4 -81.5 -34.4 6.2 -4.7 -35.7 25 20 A D S >> S- 0 0 95 1,-0.1 4,-1.4 2,-0.0 3,-0.9 -0.747 76.1-153.1 -84.1 111.8 3.6 -2.8 -33.8 26 21 A D H 3> S+ 0 0 110 -2,-0.7 4,-2.3 1,-0.3 -1,-0.1 0.686 89.9 61.3 -65.1 -19.3 1.5 -0.8 -36.3 27 22 A R H 3> S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.875 105.0 49.8 -72.8 -37.1 0.5 2.0 -33.9 28 23 A D H <> S+ 0 0 35 -3,-0.9 4,-2.9 2,-0.2 -2,-0.2 0.902 111.1 47.9 -65.5 -42.9 4.1 2.9 -33.5 29 24 A A H X S+ 0 0 1 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.924 113.2 48.6 -63.9 -46.2 4.6 3.0 -37.2 30 25 A E H X S+ 0 0 83 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.890 112.5 48.7 -62.1 -38.2 1.5 5.1 -37.6 31 26 A T H X S+ 0 0 46 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.956 112.5 47.7 -65.8 -47.4 2.7 7.5 -34.8 32 27 A F H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.930 112.2 50.1 -59.6 -46.9 6.2 7.8 -36.4 33 28 A L H X S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.823 108.2 51.9 -64.1 -35.9 4.7 8.4 -39.8 34 29 A L H X S+ 0 0 105 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.862 112.0 47.1 -66.8 -41.1 2.3 11.2 -38.5 35 30 A R H X S+ 0 0 36 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.944 111.0 50.9 -65.5 -46.4 5.2 12.9 -36.8 36 31 A L H X S+ 0 0 13 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.926 112.1 48.5 -55.0 -40.9 7.3 12.6 -40.1 37 32 A E H < S+ 0 0 137 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.930 112.8 47.6 -65.6 -44.4 4.3 14.1 -41.9 38 33 A R H < S+ 0 0 166 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.894 130.0 20.5 -61.1 -42.9 4.0 16.9 -39.4 39 34 A Y H X S+ 0 0 26 -4,-2.9 4,-2.4 -5,-0.1 -2,-0.2 0.508 96.9 94.7-108.1 -7.9 7.8 17.8 -39.5 40 35 A G H X S+ 0 0 7 -4,-2.7 4,-3.1 -5,-0.3 5,-0.4 0.897 85.5 50.4 -52.6 -46.5 9.0 16.3 -42.7 41 36 A E H > S+ 0 0 67 -4,-0.5 4,-1.9 1,-0.3 5,-0.4 0.925 113.5 44.6 -67.3 -42.0 8.7 19.4 -44.8 42 37 A D H > S+ 0 0 23 -4,-0.3 4,-0.9 3,-0.2 -1,-0.3 0.827 116.6 48.5 -63.8 -36.2 10.6 21.4 -42.2 43 38 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 -7,-0.2 -2,-0.2 0.973 119.2 33.9 -68.4 -59.2 13.2 18.7 -41.9 44 39 A W H X S+ 0 0 24 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.863 117.9 50.7 -68.2 -40.9 13.9 18.0 -45.7 45 40 A E H X S+ 0 0 54 -4,-1.9 4,-1.9 -5,-0.4 -1,-0.2 0.892 112.8 47.2 -66.7 -39.8 13.5 21.5 -47.0 46 41 A S H X S+ 0 0 3 -4,-0.9 4,-0.8 -5,-0.4 -2,-0.2 0.927 113.0 49.0 -64.4 -45.6 15.8 22.9 -44.3 47 42 A L H >X S+ 0 0 1 -4,-2.0 4,-3.6 1,-0.2 3,-0.9 0.920 111.8 48.6 -59.4 -42.9 18.4 20.1 -45.1 48 43 A R H 3X S+ 0 0 125 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.870 105.6 59.6 -68.8 -29.6 18.2 20.8 -48.9 49 44 A A H 3< S+ 0 0 51 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.721 119.1 28.2 -69.0 -21.3 18.6 24.5 -48.2 50 45 A V H << S+ 0 0 18 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.791 134.8 27.4-105.0 -40.8 22.0 23.8 -46.5 51 46 A Y H >< S- 0 0 15 -4,-3.6 3,-1.1 1,-0.2 4,-0.2 0.428 83.6-162.5-107.5 -3.6 23.2 20.7 -48.2 52 47 A G G >< - 0 0 35 -4,-2.1 3,-1.6 -5,-0.3 -1,-0.2 -0.196 69.0 -5.5 58.2-141.0 21.5 20.9 -51.7 53 48 A D G > S+ 0 0 156 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.730 121.1 74.7 -62.6 -29.2 21.4 17.6 -53.7 54 49 A Q G X S+ 0 0 111 -3,-1.1 3,-2.3 1,-0.3 4,-0.4 0.822 80.9 74.5 -43.4 -38.6 23.5 15.6 -51.2 55 50 A V G X S+ 0 0 7 -3,-1.6 3,-2.1 1,-0.3 -1,-0.3 0.800 81.2 69.4 -51.7 -28.7 20.4 15.6 -49.0 56 51 A R G < S+ 0 0 128 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.814 99.3 48.1 -65.2 -28.1 18.9 13.0 -51.3 57 52 A A G < S+ 0 0 80 -3,-2.3 4,-0.4 -4,-0.3 -1,-0.3 0.506 101.8 73.9 -84.3 -4.0 21.4 10.4 -50.1 58 53 A L X> + 0 0 3 -3,-2.1 4,-2.5 -4,-0.4 3,-0.6 0.839 69.5 76.7 -83.6 -36.8 20.6 11.4 -46.5 59 54 A P H 3> S+ 0 0 10 0, 0.0 4,-3.7 0, 0.0 5,-0.4 0.823 93.7 50.8 -54.1 -41.4 17.1 9.9 -45.5 60 55 A G H 3> S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 -2,-0.1 0.903 114.9 42.1 -66.4 -43.4 18.1 6.3 -45.0 61 56 A R H <> S+ 0 0 122 -3,-0.6 4,-1.7 -4,-0.4 -1,-0.2 0.904 119.6 44.4 -64.6 -43.1 20.9 7.2 -42.7 62 57 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.941 114.4 47.8 -72.3 -45.3 18.9 9.8 -40.8 63 58 A L H X S+ 0 0 0 -4,-3.7 4,-3.1 -5,-0.2 5,-0.3 0.857 107.6 59.3 -63.3 -34.6 15.8 7.7 -40.5 64 59 A E H X S+ 0 0 112 -4,-1.7 4,-2.2 -5,-0.4 -1,-0.2 0.945 108.1 42.9 -54.2 -51.8 18.0 4.9 -39.3 65 60 A V H X S+ 0 0 31 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.913 117.9 46.0 -59.8 -45.4 19.3 6.9 -36.4 66 61 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.905 111.3 51.7 -67.5 -45.8 15.7 8.3 -35.6 67 62 A L H X S+ 0 0 5 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.922 112.3 45.6 -57.2 -47.7 14.0 4.9 -35.9 68 63 A H H X S+ 0 0 109 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.910 112.3 50.7 -62.7 -43.9 16.4 3.3 -33.5 69 64 A A H X S+ 0 0 5 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.901 109.0 52.9 -58.4 -41.0 16.2 6.2 -31.0 70 65 A Y H >< S+ 0 0 9 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.967 110.8 45.7 -58.8 -48.6 12.4 5.8 -31.2 71 66 A H H 3< S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.836 114.8 49.9 -62.0 -33.8 12.7 2.1 -30.3 72 67 A A H 3< S+ 0 0 47 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.573 82.2 111.2 -81.3 -8.0 15.2 2.9 -27.6 73 68 A R S << S- 0 0 8 -3,-1.3 5,-0.1 -4,-0.8 207,-0.1 -0.529 74.1-119.0 -73.3 123.6 13.0 5.7 -26.0 74 69 A P >> - 0 0 40 0, 0.0 4,-2.4 0, 0.0 3,-1.3 -0.299 18.5-116.3 -61.9 149.7 11.9 4.4 -22.5 75 70 A A H 3> S+ 0 0 59 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.873 115.8 56.5 -56.4 -39.4 8.1 4.1 -22.0 76 71 A E H 3> S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.837 107.9 47.0 -66.0 -27.0 8.2 6.8 -19.3 77 72 A L H <> S+ 0 0 4 -3,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.852 107.8 56.2 -84.6 -28.4 9.8 9.3 -21.7 78 73 A R H X S+ 0 0 60 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.883 108.3 49.5 -58.3 -38.6 7.2 8.4 -24.4 79 74 A R H X S+ 0 0 149 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.922 107.7 51.9 -69.5 -43.0 4.6 9.3 -21.8 80 75 A L H X S+ 0 0 24 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.910 106.9 55.8 -52.8 -43.4 6.5 12.6 -21.1 81 76 A D H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.927 110.6 43.5 -55.0 -49.9 6.3 13.2 -25.0 82 77 A E H X S+ 0 0 113 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.914 110.7 55.4 -63.8 -42.1 2.5 12.8 -24.9 83 78 A A H X S+ 0 0 46 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.864 109.0 47.3 -57.9 -37.6 2.2 15.0 -21.8 84 79 A R H < S+ 0 0 37 -4,-2.1 3,-0.5 2,-0.2 6,-0.2 0.876 108.7 53.2 -76.9 -39.0 4.1 17.8 -23.5 85 80 A L H < S+ 0 0 96 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.885 109.3 51.4 -57.4 -34.5 1.9 17.5 -26.6 86 81 A L H < S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.731 120.3 34.5 -74.6 -21.1 -1.1 17.8 -24.3 87 82 A R >< + 0 0 126 -4,-0.8 3,-1.4 -3,-0.5 -1,-0.3 -0.608 68.0 165.7-132.1 69.4 0.3 21.0 -22.7 88 83 A P T 3 S+ 0 0 109 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.736 74.3 57.4 -64.4 -18.5 2.2 22.8 -25.5 89 84 A D T >> + 0 0 53 1,-0.2 3,-1.6 2,-0.1 4,-0.6 0.053 67.9 124.0 -95.5 25.7 2.5 26.1 -23.4 90 85 A W G X4 S+ 0 0 11 -3,-1.4 3,-0.7 1,-0.3 -1,-0.2 0.843 72.3 49.1 -58.9 -34.3 4.3 24.4 -20.6 91 86 A L G 34 S+ 0 0 10 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.665 106.3 60.5 -77.8 -13.0 7.3 26.7 -20.7 92 87 A Q G <4 S+ 0 0 11 -3,-1.6 478,-2.5 477,-0.1 479,-0.3 0.535 75.2 113.1 -97.7 -6.6 5.0 29.8 -20.7 93 88 A R S X< S- 0 0 29 -3,-0.7 3,-1.9 -4,-0.6 403,-0.0 -0.371 72.4-127.3 -68.4 138.2 3.2 29.2 -17.4 94 89 A P T 3 S+ 0 0 16 0, 0.0 470,-0.1 0, 0.0 -1,-0.1 0.810 107.6 65.6 -58.1 -25.7 3.9 31.8 -14.7 95 90 A E T 3 S+ 0 0 78 468,-0.2 468,-0.1 467,-0.1 2,-0.1 0.689 77.1 106.6 -70.1 -15.7 4.8 28.9 -12.3 96 91 A M < + 0 0 1 -3,-1.9 2,-0.3 -6,-0.1 29,-0.1 -0.454 43.5 165.5 -63.2 137.4 7.8 28.1 -14.5 97 92 A V - 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