==== 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 4FLS . 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) . 23549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 70.4 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 . 48 7.6 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 . 44 7.0 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 . 197 31.4 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 1 3 2 2 3 1 0 0 2 2 1 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 5 0 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 0 163 0, 0.0 43,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 74.3 -40.7 -43.0 -11.0 2 2 A P - 0 0 26 0, 0.0 2,-0.2 0, 0.0 42,-0.0 -0.272 360.0-175.5 -71.0 143.1 -42.6 -43.2 -7.6 3 3 A N > - 0 0 88 1,-0.0 4,-1.9 41,-0.0 5,-0.2 -0.647 38.6 -87.2-127.9-176.9 -45.4 -40.7 -6.8 4 4 A S H > S+ 0 0 15 1,-0.2 4,-1.9 -2,-0.2 33,-0.1 0.922 120.7 42.7 -61.1 -54.2 -47.8 -39.7 -4.0 5 5 A Q H > S+ 0 0 147 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.875 111.9 56.8 -63.2 -38.7 -50.7 -42.1 -4.6 6 6 A Y H > S+ 0 0 80 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.923 110.6 41.9 -57.1 -50.2 -48.3 -45.0 -5.2 7 7 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.829 107.6 62.0 -69.7 -33.0 -46.5 -44.6 -1.8 8 8 A K H X S+ 0 0 16 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.842 106.5 44.4 -63.6 -35.5 -49.8 -44.0 0.0 9 9 A T H < S+ 0 0 58 -4,-1.5 4,-0.4 -3,-0.2 -1,-0.2 0.785 110.0 55.9 -78.6 -27.5 -51.1 -47.5 -0.9 10 10 A R H >< S+ 0 0 86 -4,-1.2 3,-0.5 -5,-0.2 4,-0.3 0.888 111.2 45.3 -64.1 -39.6 -47.7 -49.0 0.0 11 11 A I H >< S+ 0 0 3 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.936 111.4 51.2 -66.1 -47.9 -48.2 -47.4 3.4 12 12 A L G >< S+ 0 0 6 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.503 88.8 87.9 -71.3 -3.1 -51.8 -48.6 3.7 13 13 A D G < S+ 0 0 96 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.831 77.1 61.2 -62.1 -37.1 -50.6 -52.2 2.8 14 14 A I G < S+ 0 0 110 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.2 0.679 89.8 88.4 -71.6 -15.8 -49.9 -53.2 6.4 15 15 A Y S < S- 0 0 36 -3,-0.8 -3,-0.0 -4,-0.2 0, 0.0 -0.602 76.9-124.6 -88.5 140.3 -53.5 -52.7 7.5 16 16 A T >> - 0 0 67 -2,-0.3 4,-2.8 1,-0.1 3,-1.1 -0.449 36.0-104.5 -69.5 152.4 -56.3 -55.3 7.4 17 17 A P H 3> S+ 0 0 110 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.738 120.6 60.9 -50.8 -26.1 -59.5 -54.2 5.5 18 18 A E H 3> S+ 0 0 129 2,-0.2 4,-0.7 1,-0.2 -3,-0.0 0.858 113.7 32.0 -72.4 -38.8 -61.2 -53.6 8.9 19 19 A Q H <> S+ 0 0 90 -3,-1.1 4,-3.0 2,-0.2 5,-0.2 0.796 109.1 67.9 -88.2 -32.3 -58.7 -51.0 10.1 20 20 A R H X S+ 0 0 85 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.873 99.6 52.9 -49.4 -42.4 -58.1 -49.6 6.5 21 21 A A H X S+ 0 0 66 -4,-1.2 4,-1.1 -5,-0.2 -1,-0.2 0.921 113.1 41.7 -61.8 -46.5 -61.7 -48.4 6.6 22 22 A G H < S+ 0 0 49 -4,-0.7 4,-0.5 2,-0.2 -2,-0.2 0.835 116.6 49.5 -70.0 -34.8 -61.2 -46.5 9.9 23 23 A I H >< S+ 0 0 39 -4,-3.0 3,-1.1 1,-0.2 6,-0.5 0.944 109.3 49.6 -68.4 -50.0 -57.8 -45.2 8.9 24 24 A E H 3< S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.735 112.5 47.8 -65.8 -25.4 -58.8 -43.8 5.5 25 25 A K T 3< S+ 0 0 89 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.567 93.2 103.7 -88.8 -11.4 -61.8 -42.0 7.0 26 26 A S S <> S- 0 0 35 -3,-1.1 4,-1.7 -4,-0.5 5,-0.1 -0.309 76.4-128.5 -73.0 154.2 -59.7 -40.5 9.8 27 27 A E H > S+ 0 0 117 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.893 107.3 62.7 -67.2 -41.7 -58.5 -36.8 9.8 28 28 A D H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 109.3 40.7 -48.0 -48.2 -54.9 -37.9 10.5 29 29 A W H > S+ 0 0 12 -6,-0.5 4,-3.1 2,-0.2 -1,-0.2 0.885 112.1 55.0 -70.4 -40.1 -54.9 -39.8 7.2 30 30 A R H X S+ 0 0 30 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.918 113.0 42.8 -58.5 -45.7 -56.8 -37.0 5.4 31 31 A Q H X S+ 0 0 33 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.931 115.1 48.4 -64.8 -48.9 -54.2 -34.5 6.5 32 32 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.908 111.8 51.0 -59.2 -43.7 -51.2 -36.8 5.7 33 33 A S H X S+ 0 0 26 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.889 111.2 46.9 -61.9 -44.0 -52.7 -37.6 2.3 34 34 A R H X S+ 0 0 137 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.898 113.5 49.2 -62.1 -43.1 -53.1 -33.9 1.4 35 35 A R H X>S+ 0 0 5 -4,-2.6 4,-2.8 2,-0.2 5,-0.5 0.840 108.0 53.5 -69.8 -34.9 -49.6 -33.1 2.6 36 36 A M H X5S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.930 109.8 48.6 -60.0 -47.3 -48.1 -36.0 0.6 37 37 A D H <5S+ 0 0 82 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.866 118.3 40.6 -61.0 -39.2 -49.8 -34.6 -2.5 38 38 A T H <5S+ 0 0 91 -4,-1.9 -2,-0.2 -5,-0.1 4,-0.2 0.933 130.3 20.0 -75.3 -47.5 -48.4 -31.1 -1.8 39 39 A H H >X5S+ 0 0 28 -4,-2.8 4,-1.7 2,-0.1 3,-0.8 0.672 100.9 78.7-106.5 -23.8 -44.9 -31.8 -0.6 40 40 A F H 3X S+ 0 0 73 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.856 105.6 49.2 -51.2 -36.4 -43.1 -34.0 -5.3 42 42 A K H <> S+ 0 0 61 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.916 110.7 48.6 -67.7 -45.0 -40.5 -31.7 -3.7 43 43 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.932 113.3 48.0 -59.2 -47.1 -38.9 -34.6 -1.8 44 44 A M H X S+ 0 0 31 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.917 111.9 49.3 -60.7 -45.6 -38.8 -36.7 -4.9 45 45 A N H X S+ 0 0 102 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.913 113.1 46.1 -61.6 -44.2 -37.2 -34.0 -7.0 46 46 A E H X S+ 0 0 26 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.918 115.4 44.8 -66.3 -46.3 -34.5 -33.2 -4.4 47 47 A L H X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 5,-0.3 0.812 109.2 57.1 -69.1 -31.7 -33.5 -36.8 -3.8 48 48 A D H X S+ 0 0 87 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.887 104.3 52.6 -63.6 -39.9 -33.5 -37.6 -7.5 49 49 A S H < S+ 0 0 68 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.737 120.1 34.7 -69.4 -23.8 -31.0 -34.9 -8.1 50 50 A V H < S+ 0 0 20 -4,-0.8 -2,-0.2 -3,-0.1 -1,-0.2 0.883 129.8 28.3 -92.1 -49.7 -28.7 -36.4 -5.4 51 51 A Y H >< S+ 0 0 13 -4,-3.4 3,-2.1 1,-0.2 -3,-0.2 0.505 79.5 179.0-101.2 -6.5 -29.3 -40.1 -5.7 52 52 A G T 3< S- 0 0 25 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.1 -0.048 70.1 -7.8 45.6-133.3 -30.2 -40.5 -9.4 53 53 A N T 3 S+ 0 0 175 4,-0.1 -1,-0.2 3,-0.0 -5,-0.1 0.130 88.5 154.4 -83.6 20.9 -30.9 -44.1 -10.5 54 54 A N X - 0 0 62 -3,-2.1 3,-1.3 1,-0.1 4,-0.5 -0.224 45.6-138.1 -53.5 131.5 -29.7 -45.6 -7.2 55 55 A E T 3 S+ 0 0 156 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.815 102.4 57.4 -59.8 -31.5 -31.3 -49.1 -6.5 56 56 A A T 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 0.621 86.8 81.8 -76.6 -13.1 -31.8 -48.1 -2.8 57 57 A L H <> S+ 0 0 12 -3,-1.3 4,-2.1 2,-0.2 5,-0.2 0.949 91.4 43.2 -61.8 -57.9 -33.9 -45.0 -3.7 58 58 A L H > S+ 0 0 72 -4,-0.5 4,-2.1 -3,-0.2 3,-0.2 0.947 119.7 41.3 -52.5 -57.7 -37.3 -46.6 -4.2 59 59 A P H > S+ 0 0 51 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.832 112.5 56.1 -66.5 -30.0 -37.2 -49.0 -1.2 60 60 A M H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.895 110.1 45.9 -60.5 -41.8 -35.6 -46.2 1.0 61 61 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.854 109.2 53.9 -73.2 -37.7 -38.6 -44.0 0.2 62 62 A E H X S+ 0 0 55 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.913 115.5 41.2 -61.0 -43.7 -41.2 -46.8 0.8 63 63 A M H X S+ 0 0 84 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.940 114.4 51.0 -67.9 -50.0 -39.6 -47.3 4.2 64 64 A L H X S+ 0 0 1 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.891 112.3 45.0 -59.6 -43.5 -39.2 -43.6 5.0 65 65 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.785 109.9 54.1 -77.4 -25.8 -42.7 -42.6 4.2 66 66 A A H X S+ 0 0 35 -4,-1.2 4,-2.5 -5,-0.2 -1,-0.2 0.905 111.2 47.6 -64.5 -44.4 -44.2 -45.5 6.1 67 67 A Q H X S+ 0 0 52 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.867 109.5 54.5 -60.8 -37.8 -42.2 -44.3 9.1 68 68 A A H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.911 109.4 45.9 -66.8 -44.7 -43.5 -40.8 8.4 69 69 A W H X S+ 0 0 2 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.953 113.8 48.6 -57.9 -51.1 -47.1 -41.9 8.5 70 70 A Q H X S+ 0 0 72 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.847 112.8 49.1 -62.2 -34.3 -46.5 -44.0 11.7 71 71 A S H X S+ 0 0 12 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.938 114.1 44.1 -67.6 -48.3 -44.8 -41.0 13.2 72 72 A Y H < S+ 0 0 4 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.898 109.5 57.1 -65.4 -42.0 -47.6 -38.5 12.3 73 73 A S H < S+ 0 0 42 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.890 113.3 40.4 -51.0 -43.3 -50.2 -41.0 13.4 74 74 A Q H < S+ 0 0 142 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.636 89.0 121.9 -82.3 -17.6 -48.6 -41.1 16.9 75 75 A R S < S- 0 0 6 -4,-1.1 5,-0.1 -3,-0.4 202,-0.1 -0.204 74.8-101.3 -53.4 129.8 -47.9 -37.4 17.0 76 76 A N >> - 0 0 91 201,-0.3 4,-1.6 1,-0.1 3,-0.6 -0.245 23.4-129.9 -50.7 135.4 -49.5 -35.6 20.0 77 77 A S H 3> S+ 0 0 89 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.779 107.5 61.1 -63.1 -29.3 -52.7 -33.8 19.0 78 78 A S H 3> S+ 0 0 82 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.874 106.6 46.6 -61.9 -38.3 -51.5 -30.6 20.8 79 79 A L H <> S+ 0 0 15 -3,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.851 104.9 59.7 -72.6 -34.8 -48.6 -30.6 18.3 80 80 A K H X S+ 0 0 17 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.765 101.9 55.4 -63.2 -27.5 -51.0 -31.2 15.4 81 81 A D H X S+ 0 0 110 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.894 107.7 47.9 -67.0 -43.3 -52.7 -28.0 16.3 82 82 A I H X S+ 0 0 49 -4,-1.1 4,-2.6 2,-0.2 5,-0.2 0.851 106.1 59.5 -66.9 -35.9 -49.3 -26.2 16.0 83 83 A D H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.933 109.1 42.2 -54.0 -52.9 -48.7 -27.9 12.6 84 84 A I H X S+ 0 0 67 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.885 113.1 54.5 -64.3 -40.3 -51.9 -26.3 11.2 85 85 A A H X S+ 0 0 55 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.933 113.0 40.7 -60.3 -47.0 -51.1 -23.0 12.8 86 86 A R H < S+ 0 0 27 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.770 110.0 57.9 -78.1 -27.4 -47.6 -22.7 11.3 87 87 A E H < S+ 0 0 70 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.894 114.6 40.1 -59.6 -41.6 -48.7 -24.0 7.9 88 88 A N H < S+ 0 0 125 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.592 122.1 41.9 -89.0 -14.4 -51.1 -21.1 7.8 89 89 A N >< + 0 0 85 -4,-1.0 3,-1.5 -5,-0.1 -1,-0.2 -0.613 59.7 163.8-130.1 75.8 -48.7 -18.6 9.3 90 90 A P G > S+ 0 0 31 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.743 74.0 63.5 -62.7 -21.1 -45.3 -19.1 7.7 91 91 A D G > + 0 0 64 1,-0.2 3,-1.7 2,-0.1 4,-0.4 0.241 63.5 108.1 -90.8 12.5 -44.2 -15.7 8.9 92 92 A W G X S+ 0 0 20 -3,-1.5 3,-1.2 1,-0.3 -1,-0.2 0.857 77.1 59.4 -57.4 -35.3 -44.4 -16.4 12.7 93 93 A I G < S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.733 100.7 56.3 -59.8 -26.6 -40.6 -16.4 12.7 94 94 A L G < S+ 0 0 23 -3,-1.7 459,-1.8 290,-0.1 -1,-0.2 0.492 79.9 118.9 -90.2 -5.0 -40.6 -12.8 11.5 95 95 A S X - 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