==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-JAN-04 1S46 . COMPND 2 MOLECULE: AMYLOSUCRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA POLYSACCHAREA; . AUTHOR M.H.JENSEN,O.MIRZA,C.ALBENNE,M.REMAUD-SIMEON,P.MONSAN, . 628 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 67.7 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 . 41 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 30.4 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 3 2 2 2 2 1 0 1 1 2 1 1 0 1 2 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 2 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 0 PARALLEL BRIDGES PER LADDER . 2 4 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 . 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 1 A S 0 0 126 0, 0.0 2,-0.1 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 127.8 87.7 42.7 -8.2 2 2 A P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 42,-0.1 -0.324 360.0-127.9 -74.8 159.2 90.6 43.9 -6.0 3 3 A N > - 0 0 93 1,-0.1 4,-1.9 -2,-0.1 5,-0.2 -0.569 21.0-106.3-104.7 171.8 93.5 41.7 -4.9 4 4 A S H > S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.873 115.8 52.3 -61.6 -45.0 95.2 40.7 -1.6 5 5 A Q H > S+ 0 0 146 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.881 110.2 49.2 -61.9 -40.4 98.3 42.9 -2.0 6 6 A Y H >> S+ 0 0 103 1,-0.2 4,-1.1 2,-0.2 3,-0.7 0.940 112.1 46.6 -64.0 -52.5 96.2 46.0 -2.7 7 7 A L H 3X S+ 0 0 2 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.795 106.8 59.4 -63.8 -27.9 93.9 45.6 0.3 8 8 A K H 3X S+ 0 0 14 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.802 104.0 49.5 -71.7 -29.9 96.9 44.9 2.6 9 9 A T H << S+ 0 0 60 -4,-1.1 4,-0.2 -3,-0.7 -1,-0.2 0.755 109.9 52.5 -78.5 -25.1 98.4 48.3 1.8 10 10 A R H < S+ 0 0 111 -4,-1.1 3,-0.3 2,-0.2 -2,-0.2 0.751 105.9 53.9 -78.9 -27.3 95.1 49.9 2.5 11 11 A I H >< S+ 0 0 10 -4,-1.2 3,-0.8 1,-0.2 -2,-0.2 0.854 108.0 50.5 -73.5 -36.8 94.9 48.1 5.9 12 12 A L G >< S+ 0 0 4 -4,-1.2 3,-1.4 1,-0.2 -1,-0.2 0.525 86.0 88.0 -79.5 -6.7 98.3 49.6 6.8 13 13 A D G 3 S+ 0 0 95 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.586 75.5 68.1 -68.3 -12.6 97.2 53.1 5.9 14 14 A I G < S+ 0 0 113 -3,-0.8 2,-0.3 -4,-0.1 -1,-0.3 0.662 90.8 78.3 -79.0 -18.6 95.9 53.7 9.4 15 15 A Y S < S- 0 0 42 -3,-1.4 -3,-0.0 -4,-0.1 0, 0.0 -0.693 85.5-119.6 -94.2 144.2 99.5 53.6 10.7 16 16 A T > - 0 0 70 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.441 37.5 -99.7 -76.8 152.8 102.0 56.5 10.4 17 17 A P H > S+ 0 0 102 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.764 121.3 53.4 -43.9 -32.6 105.3 55.9 8.3 18 18 A E H 4 S+ 0 0 158 1,-0.2 4,-0.4 2,-0.2 3,-0.1 0.925 116.3 34.5 -71.6 -48.2 107.3 55.3 11.5 19 19 A Q H > S+ 0 0 96 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.683 108.3 67.5 -82.7 -18.6 105.1 52.6 13.0 20 20 A R H X S+ 0 0 55 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.879 97.8 53.4 -67.3 -38.9 104.1 51.0 9.7 21 21 A A H < S+ 0 0 57 -4,-1.0 4,-0.5 -5,-0.2 -1,-0.2 0.763 107.5 52.5 -67.1 -27.2 107.7 49.8 9.1 22 22 A G H 4 S+ 0 0 47 -4,-0.4 3,-0.4 2,-0.2 4,-0.3 0.857 108.8 47.7 -77.3 -37.7 107.5 48.1 12.5 23 23 A I H >< S+ 0 0 38 -4,-1.5 3,-1.1 1,-0.2 6,-0.4 0.868 105.2 59.7 -72.0 -36.2 104.3 46.2 11.8 24 24 A E T 3< S+ 0 0 86 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.707 107.8 45.7 -66.2 -20.9 105.6 45.0 8.4 25 25 A K T 3 S+ 0 0 161 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.487 93.9 106.7 -99.4 -6.3 108.5 43.2 10.1 26 26 A S S <> S- 0 0 39 -3,-1.1 4,-1.5 -4,-0.3 -3,-0.0 -0.312 74.3-125.8 -76.4 157.4 106.4 41.6 12.9 27 27 A E H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.842 107.2 58.1 -69.2 -36.4 105.5 37.9 13.2 28 28 A D H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.865 109.8 43.2 -63.6 -38.8 101.7 38.6 13.5 29 29 A W H > S+ 0 0 16 -6,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.844 108.9 58.2 -76.1 -34.2 101.6 40.5 10.1 30 30 A R H X S+ 0 0 117 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.843 111.9 41.4 -63.9 -34.4 103.8 37.8 8.4 31 31 A Q H X S+ 0 0 35 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.904 116.2 48.3 -79.0 -42.7 101.3 35.1 9.3 32 32 A F H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.877 112.1 50.2 -64.1 -41.3 98.2 37.3 8.4 33 33 A S H X S+ 0 0 26 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.879 110.7 48.9 -65.3 -40.8 99.8 38.3 5.1 34 34 A R H X S+ 0 0 92 -4,-1.3 4,-1.8 -5,-0.2 -2,-0.2 0.914 113.9 46.1 -65.6 -44.8 100.5 34.6 4.2 35 35 A R H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.772 110.1 54.6 -70.8 -28.0 97.0 33.6 5.1 36 36 A M H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.951 108.8 47.7 -70.2 -47.2 95.6 36.6 3.1 37 37 A D H < S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.867 119.7 39.6 -61.5 -37.1 97.4 35.6 -0.0 38 38 A T H < S+ 0 0 85 -4,-1.8 4,-0.2 -5,-0.1 -2,-0.2 0.892 129.3 25.5 -80.3 -43.8 96.3 32.0 0.3 39 39 A H H X S+ 0 0 30 -4,-2.5 4,-1.3 -5,-0.1 3,-0.3 0.552 98.5 80.5-105.0 -9.1 92.7 32.5 1.5 40 40 A F H X S+ 0 0 4 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.873 85.8 61.8 -66.4 -40.2 91.5 35.9 0.2 41 41 A P H > S+ 0 0 78 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.874 105.8 48.9 -55.0 -32.8 90.7 34.7 -3.4 42 42 A K H > S+ 0 0 55 -3,-0.3 4,-2.3 -4,-0.2 5,-0.2 0.905 111.2 49.0 -70.7 -40.5 88.1 32.4 -1.9 43 43 A L H X S+ 0 0 1 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.932 114.0 45.6 -64.5 -45.4 86.6 35.2 0.2 44 44 A M H X S+ 0 0 18 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.934 113.9 48.8 -62.9 -47.9 86.4 37.5 -2.8 45 45 A N H X S+ 0 0 102 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.861 113.4 46.0 -61.3 -42.4 84.9 34.8 -5.1 46 46 A E H X S+ 0 0 25 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.911 114.2 47.0 -70.5 -41.3 82.2 33.8 -2.5 47 47 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.5 0.795 111.0 54.0 -70.0 -27.4 81.2 37.4 -1.7 48 48 A D H X S+ 0 0 62 -4,-1.9 4,-1.2 3,-0.2 -1,-0.2 0.839 103.6 54.3 -74.8 -36.3 81.1 38.2 -5.5 49 49 A S H < S+ 0 0 70 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.738 119.0 35.8 -70.7 -21.4 78.7 35.3 -6.3 50 50 A V H < S+ 0 0 18 -4,-0.8 -2,-0.2 -5,-0.1 -3,-0.1 0.892 132.9 21.5 -95.0 -55.3 76.3 36.6 -3.6 51 51 A Y H >< S+ 0 0 20 -4,-2.6 3,-0.8 1,-0.2 2,-0.3 0.718 80.7 179.2 -91.0 -25.4 76.6 40.4 -3.8 52 52 A G T 3< S- 0 0 24 -4,-1.2 -1,-0.2 -5,-0.5 -2,-0.1 -0.420 70.1 -4.6 65.4-119.3 78.0 40.9 -7.3 53 53 A N T 3 S+ 0 0 172 -2,-0.3 -1,-0.2 4,-0.1 2,-0.1 -0.026 87.5 154.6 -99.5 28.9 78.5 44.5 -8.3 54 54 A N X> - 0 0 59 -3,-0.8 3,-1.3 1,-0.1 4,-0.5 -0.354 46.7-136.4 -61.6 131.6 76.9 45.9 -5.0 55 55 A E T 34 S+ 0 0 164 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.798 104.9 54.5 -57.8 -30.8 78.3 49.4 -4.2 56 56 A A T 3> S+ 0 0 2 1,-0.2 4,-1.9 2,-0.1 -1,-0.3 0.619 87.6 81.8 -81.2 -13.6 78.6 48.3 -0.6 57 57 A L H <> S+ 0 0 9 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.928 93.3 42.2 -60.1 -54.2 80.7 45.2 -1.3 58 58 A L H X S+ 0 0 78 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.939 117.4 45.5 -62.0 -49.2 84.2 46.9 -1.6 59 59 A P H > S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.835 115.7 49.0 -64.4 -28.6 83.7 49.3 1.4 60 60 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.894 110.3 50.4 -72.4 -43.6 82.4 46.4 3.4 61 61 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.915 111.3 47.5 -62.1 -44.8 85.3 44.2 2.4 62 62 A E H X S+ 0 0 38 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.894 113.6 48.0 -65.3 -38.7 87.9 46.8 3.4 63 63 A M H X S+ 0 0 93 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.879 112.8 49.6 -68.6 -38.2 86.2 47.4 6.8 64 64 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.889 111.8 46.4 -67.4 -44.2 86.0 43.6 7.4 65 65 A L H X S+ 0 0 3 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.814 110.8 52.6 -70.9 -30.2 89.7 43.0 6.6 66 66 A A H X S+ 0 0 38 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.901 113.3 44.4 -70.6 -39.3 90.7 46.0 8.8 67 67 A Q H X S+ 0 0 58 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.863 109.7 56.6 -71.5 -37.0 88.7 44.5 11.6 68 68 A A H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.819 107.8 48.4 -64.8 -33.8 90.1 41.0 10.8 69 69 A W H X S+ 0 0 4 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.930 110.9 48.7 -71.9 -47.2 93.6 42.4 11.3 70 70 A Q H X S+ 0 0 71 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.896 112.7 50.8 -59.9 -36.5 92.8 44.1 14.6 71 71 A S H X S+ 0 0 10 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.904 112.1 44.5 -68.7 -43.7 91.2 40.8 15.7 72 72 A Y H < S+ 0 0 4 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.845 112.8 52.3 -70.3 -33.5 94.3 38.7 14.8 73 73 A S H < S+ 0 0 46 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.922 112.9 44.3 -67.0 -41.7 96.7 41.2 16.3 74 74 A Q H < S+ 0 0 139 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.683 90.1 116.1 -74.7 -22.2 94.7 41.2 19.6 75 75 A R S < S- 0 0 8 -4,-1.2 202,-0.1 -5,-0.1 203,-0.1 -0.181 74.4-105.6 -55.4 135.4 94.4 37.3 19.6 76 76 A N > - 0 0 96 201,-0.3 4,-1.3 1,-0.1 3,-0.4 -0.320 19.5-128.0 -63.1 144.3 96.2 35.4 22.4 77 77 A S H > S+ 0 0 76 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.732 108.6 59.6 -67.8 -24.9 99.4 33.6 21.6 78 78 A S H > S+ 0 0 56 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.830 109.1 45.2 -71.8 -30.4 98.2 30.3 23.1 79 79 A L H > S+ 0 0 10 -3,-0.4 4,-1.3 2,-0.2 -2,-0.2 0.767 108.0 57.2 -81.5 -28.0 95.3 30.5 20.6 80 80 A K H X S+ 0 0 16 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.735 103.2 54.5 -73.4 -24.0 97.8 31.4 17.8 81 81 A D H X S+ 0 0 114 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.808 108.0 48.5 -77.4 -30.8 99.7 28.1 18.6 82 82 A I H X S+ 0 0 39 -4,-0.7 4,-2.4 2,-0.2 5,-0.2 0.793 106.9 58.2 -77.1 -28.4 96.4 26.2 18.1 83 83 A D H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.939 110.0 42.3 -64.1 -46.9 96.0 28.2 14.8 84 84 A I H X S+ 0 0 64 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.892 113.8 53.5 -65.9 -43.2 99.3 26.8 13.5 85 85 A A H < S+ 0 0 54 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.915 114.0 38.9 -60.7 -47.9 98.6 23.3 14.9 86 86 A R H >< S+ 0 0 27 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.756 108.0 62.8 -77.5 -23.9 95.2 22.9 13.1 87 87 A E H 3< S+ 0 0 51 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.813 114.2 36.1 -68.1 -30.3 96.3 24.6 9.9 88 88 A N T 3< S+ 0 0 127 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.251 121.5 48.3-107.0 8.8 98.8 21.7 9.6 89 89 A N X + 0 0 84 -3,-0.6 3,-1.0 -5,-0.1 -1,-0.2 -0.595 57.4 158.7-146.8 73.6 96.5 19.1 11.0 90 90 A P G > S+ 0 0 33 0, 0.0 3,-0.5 0, 0.0 -4,-0.1 0.699 71.8 63.9 -72.7 -17.1 93.0 19.4 9.2 91 91 A D G > + 0 0 68 1,-0.2 3,-1.4 2,-0.1 4,-0.5 0.250 64.3 107.4 -91.5 13.6 92.1 15.8 10.1 92 92 A W G X S+ 0 0 19 -3,-1.0 3,-0.5 1,-0.3 -1,-0.2 0.756 77.6 57.8 -60.9 -27.1 92.1 16.3 13.9 93 93 A I G < S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.699 101.2 55.9 -74.3 -23.8 88.2 16.1 13.7 94 94 A L G < S+ 0 0 23 -3,-1.4 459,-1.9 290,-0.1 -1,-0.2 0.502 82.8 117.4 -87.9 -6.8 88.5 12.6 12.2 95 95 A S X - 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