==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-JUN-12 4FLO . COMPND 2 MOLECULE: AMYLOSUCRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA POLYSACCHAREA; . AUTHOR F.GUERIN,E.CHAMPION,C.MOULIS,S.BARBE,T.H.TRAN,S.MOREL,K.DESC . 628 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 8.0 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 . 3 0.5 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 . 43 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 2 2 1 2 1 2 0 1 1 2 2 1 0 1 2 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 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 . 3 3 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 1 A S 0 0 129 0, 0.0 2,-0.0 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 136.1 39.6 42.7 -8.4 2 2 A P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 42,-0.0 -0.320 360.0-126.5 -74.2 160.0 42.4 43.9 -6.1 3 3 A N > - 0 0 91 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.604 20.8-106.1-106.8 168.5 45.3 41.5 -5.0 4 4 A S H > S+ 0 0 11 -2,-0.2 4,-2.0 2,-0.2 5,-0.1 0.857 116.6 51.8 -56.2 -43.6 46.8 40.6 -1.7 5 5 A Q H > S+ 0 0 103 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.947 111.2 46.5 -64.4 -49.8 50.0 42.6 -2.1 6 6 A Y H > S+ 0 0 101 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.918 113.2 49.4 -56.3 -47.8 48.1 45.8 -2.9 7 7 A L H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.830 106.7 56.3 -66.4 -32.9 45.7 45.4 -0.0 8 8 A K H X S+ 0 0 14 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.867 101.8 55.8 -64.6 -38.0 48.5 44.7 2.4 9 9 A T H < S+ 0 0 63 -4,-1.7 4,-0.2 1,-0.2 -1,-0.2 0.829 109.7 47.4 -63.7 -31.1 50.2 48.1 1.5 10 10 A R H >< S+ 0 0 106 -4,-1.1 3,-0.7 2,-0.2 4,-0.3 0.814 105.3 57.1 -82.5 -31.5 46.9 49.8 2.5 11 11 A I H >< S+ 0 0 12 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.937 107.7 51.0 -55.6 -44.0 46.6 47.9 5.7 12 12 A L G >< S+ 0 0 3 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.581 85.4 87.6 -74.1 -9.9 50.0 49.3 6.6 13 13 A D G < S+ 0 0 98 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.662 72.4 72.8 -66.7 -16.8 48.9 52.9 5.8 14 14 A I G < S+ 0 0 110 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.3 0.679 88.8 79.6 -68.3 -17.7 47.7 53.4 9.3 15 15 A Y S < S- 0 0 41 -3,-1.8 -3,-0.0 -4,-0.1 0, 0.0 -0.684 84.1-119.8 -94.4 145.5 51.3 53.5 10.5 16 16 A T > - 0 0 73 -2,-0.3 4,-3.4 1,-0.1 5,-0.2 -0.364 43.5 -97.8 -64.4 158.7 53.8 56.4 10.3 17 17 A P H > S+ 0 0 115 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.881 125.5 46.3 -50.7 -43.9 56.9 55.6 8.2 18 18 A E H > S+ 0 0 172 2,-0.2 4,-1.3 1,-0.2 3,-0.1 0.956 115.5 44.8 -64.0 -52.2 59.0 54.8 11.3 19 19 A Q H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.918 110.9 57.0 -53.9 -45.7 56.2 52.6 12.8 20 20 A R H X S+ 0 0 51 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.879 101.4 53.5 -56.3 -47.3 55.6 51.0 9.4 21 21 A A H X S+ 0 0 57 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.857 110.0 49.3 -57.3 -38.3 59.2 49.8 9.0 22 22 A G H >X S+ 0 0 47 -4,-1.3 4,-0.8 -3,-0.4 3,-0.5 0.909 110.5 49.6 -67.1 -44.6 59.0 48.1 12.4 23 23 A I H >< S+ 0 0 36 -4,-2.1 3,-1.3 1,-0.2 6,-0.3 0.941 106.3 56.1 -58.6 -48.4 55.7 46.4 11.6 24 24 A E H 3< S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.710 110.6 44.1 -62.3 -23.4 57.1 45.1 8.2 25 25 A K H << S+ 0 0 132 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.574 91.4 110.1 -93.9 -12.8 60.0 43.3 9.9 26 26 A S S S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.895 108.3 55.0 -65.9 -43.9 57.2 38.1 13.0 28 28 A D H > S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.932 109.5 48.2 -54.5 -49.1 53.4 38.6 13.3 29 29 A W H > S+ 0 0 11 -6,-0.3 4,-3.6 1,-0.2 5,-0.2 0.922 109.6 50.5 -60.3 -47.3 53.4 40.6 10.1 30 30 A R H X S+ 0 0 129 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.863 113.1 46.9 -61.8 -34.5 55.4 38.1 8.1 31 31 A Q H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.922 115.8 44.8 -70.3 -44.2 53.1 35.3 9.2 32 32 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.920 113.6 50.9 -62.1 -46.9 50.0 37.4 8.4 33 33 A S H X S+ 0 0 24 -4,-3.6 4,-1.9 2,-0.2 -2,-0.2 0.894 111.0 47.7 -59.1 -45.3 51.5 38.5 5.1 34 34 A R H X S+ 0 0 88 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.918 113.5 47.2 -61.7 -47.5 52.3 34.9 4.1 35 35 A R H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.4 0.859 107.9 57.0 -65.5 -37.8 48.8 33.6 5.0 36 36 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.935 107.0 49.2 -53.6 -48.4 47.3 36.6 3.1 37 37 A D H < S+ 0 0 84 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.897 117.2 40.5 -63.0 -40.4 49.1 35.4 -0.0 38 38 A T H < S+ 0 0 82 -4,-1.8 4,-0.3 1,-0.1 -2,-0.2 0.907 129.2 25.0 -71.9 -44.6 47.9 31.8 0.4 39 39 A H H X S+ 0 0 25 -4,-3.0 4,-1.5 -5,-0.1 3,-0.3 0.621 98.7 81.1-106.9 -13.7 44.4 32.4 1.5 40 40 A F H X S+ 0 0 4 -4,-2.6 4,-2.8 -5,-0.4 5,-0.3 0.884 86.8 59.5 -63.8 -40.9 43.3 35.8 0.2 41 41 A P H > S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.877 106.4 49.8 -56.3 -36.0 42.5 34.6 -3.4 42 42 A K H > S+ 0 0 55 -3,-0.3 4,-2.4 -4,-0.3 5,-0.2 0.926 111.4 48.4 -63.9 -44.1 39.9 32.2 -1.9 43 43 A L H X S+ 0 0 1 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.924 113.4 46.5 -61.4 -46.6 38.4 35.0 0.2 44 44 A M H X S+ 0 0 16 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.913 113.5 48.6 -63.1 -46.1 38.2 37.4 -2.8 45 45 A N H X S+ 0 0 98 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.897 113.2 46.5 -62.5 -43.7 36.7 34.7 -5.1 46 46 A E H X S+ 0 0 24 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.938 115.6 44.7 -67.2 -46.7 34.0 33.6 -2.6 47 47 A L H X>S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.5 0.877 112.3 53.8 -64.1 -38.2 33.0 37.2 -1.7 48 48 A D H X5S+ 0 0 59 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.879 103.7 55.9 -60.2 -40.2 33.0 38.1 -5.5 49 49 A S H <5S+ 0 0 65 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.825 118.3 33.7 -66.6 -29.1 30.6 35.1 -6.2 50 50 A V H <5S+ 0 0 19 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.922 132.2 24.7 -88.9 -54.1 28.1 36.5 -3.7 51 51 A Y H ><5S+ 0 0 16 -4,-3.0 3,-1.6 1,-0.2 -3,-0.2 0.690 80.4 177.1 -92.5 -19.2 28.4 40.3 -3.9 52 52 A G T 3< - 0 0 61 -3,-1.6 3,-1.9 1,-0.1 4,-0.5 -0.245 46.5-136.7 -49.7 121.0 28.6 45.7 -5.2 55 55 A E T 34 S+ 0 0 156 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.820 103.6 52.8 -46.1 -38.6 29.9 49.2 -4.4 56 56 A A T 3> S+ 0 0 3 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.584 87.6 84.2 -81.2 -9.5 30.4 48.2 -0.7 57 57 A L H <> S+ 0 0 12 -3,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.947 92.3 41.2 -60.8 -56.4 32.5 45.0 -1.4 58 58 A L H X S+ 0 0 54 -4,-0.5 4,-2.6 -3,-0.2 5,-0.3 0.947 118.4 45.6 -61.1 -50.9 35.9 46.6 -1.7 59 59 A P H > S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.904 115.4 48.3 -59.5 -39.6 35.4 49.1 1.2 60 60 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.930 111.9 50.9 -60.1 -45.6 34.0 46.3 3.4 61 61 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.895 109.8 46.8 -63.9 -45.8 36.9 44.0 2.4 62 62 A E H X S+ 0 0 40 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.899 113.3 50.9 -63.3 -39.5 39.6 46.5 3.3 63 63 A M H X S+ 0 0 82 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.939 111.5 47.5 -61.8 -46.2 37.8 47.2 6.6 64 64 A L H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.897 111.9 49.5 -60.5 -43.8 37.6 43.5 7.4 65 65 A L H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.842 107.6 53.6 -68.8 -35.5 41.3 42.9 6.5 66 66 A A H X S+ 0 0 41 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.918 112.9 45.3 -60.2 -44.4 42.4 45.9 8.7 67 67 A Q H X S+ 0 0 49 -4,-2.0 4,-3.4 2,-0.2 -2,-0.2 0.914 108.8 55.7 -62.3 -47.1 40.5 44.2 11.5 68 68 A A H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.912 109.9 46.9 -53.3 -45.1 41.9 40.8 10.6 69 69 A W H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.939 113.3 46.8 -63.1 -48.1 45.4 42.3 11.0 70 70 A Q H X S+ 0 0 66 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.918 113.0 50.5 -60.8 -43.8 44.6 44.0 14.3 71 71 A S H X S+ 0 0 13 -4,-3.4 4,-1.5 2,-0.2 -2,-0.2 0.928 112.9 44.6 -58.9 -48.3 43.0 40.8 15.7 72 72 A Y H < S+ 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.863 111.0 54.2 -67.7 -36.1 46.0 38.6 14.7 73 73 A S H < S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.916 113.9 42.0 -59.7 -42.7 48.4 41.2 16.1 74 74 A Q H < S+ 0 0 140 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.711 88.9 118.5 -75.7 -22.3 46.5 41.1 19.4 75 75 A R S < S- 0 0 6 -4,-1.5 5,-0.1 -5,-0.2 202,-0.1 -0.183 74.7-106.5 -51.7 129.5 46.2 37.3 19.3 76 76 A N >> - 0 0 99 201,-0.3 4,-1.9 1,-0.1 3,-0.6 -0.267 20.4-124.5 -58.4 144.4 47.9 35.6 22.3 77 77 A S H 3> S+ 0 0 80 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.765 110.0 60.5 -62.5 -31.0 51.2 33.8 21.5 78 78 A S H 3> S+ 0 0 76 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.876 108.1 44.4 -63.0 -39.8 49.9 30.5 23.0 79 79 A L H <> S+ 0 0 16 -3,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.842 107.9 58.8 -74.3 -34.9 47.1 30.6 20.4 80 80 A K H X S+ 0 0 19 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.819 103.3 53.0 -60.4 -34.2 49.6 31.5 17.7 81 81 A D H X S+ 0 0 107 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.886 109.6 47.6 -67.3 -41.1 51.5 28.3 18.5 82 82 A I H X S+ 0 0 41 -4,-1.3 4,-2.8 2,-0.2 5,-0.3 0.856 106.8 58.4 -66.4 -36.7 48.3 26.3 18.1 83 83 A D H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.965 111.1 41.5 -53.4 -53.9 47.7 28.2 14.8 84 84 A I H X S+ 0 0 61 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.891 113.2 54.3 -60.7 -43.2 51.1 26.9 13.5 85 85 A A H < S+ 0 0 56 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.928 115.4 37.1 -60.3 -48.0 50.4 23.4 15.0 86 86 A R H >< S+ 0 0 26 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.844 108.1 64.8 -76.5 -31.6 47.1 22.9 13.2 87 87 A E H 3< S+ 0 0 50 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.836 113.8 34.6 -53.0 -37.5 48.3 24.7 10.0 88 88 A N T 3< S+ 0 0 127 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.244 121.2 51.4-103.4 9.0 50.7 21.8 9.7 89 89 A N X + 0 0 84 -3,-1.3 3,-1.7 -5,-0.1 -1,-0.2 -0.440 58.1 160.5-141.7 66.1 48.3 19.2 11.1 90 90 A P G > S+ 0 0 35 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.768 73.1 59.4 -62.2 -26.9 45.0 19.4 9.2 91 91 A D G > + 0 0 62 1,-0.2 3,-1.9 2,-0.1 4,-0.4 0.223 65.8 109.7 -90.0 15.8 43.9 15.9 10.2 92 92 A W G X S+ 0 0 19 -3,-1.7 3,-0.9 1,-0.3 -1,-0.2 0.826 77.7 58.7 -56.2 -31.1 44.0 16.6 14.0 93 93 A I G < S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.658 100.8 55.4 -70.7 -19.3 40.2 16.4 13.8 94 94 A L G < S+ 0 0 20 -3,-1.9 459,-1.8 290,-0.1 -1,-0.2 0.421 79.6 119.7 -95.5 -2.5 40.4 12.8 12.4 95 95 A S X - 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