==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-SEP-02 1MW0 . COMPND 2 MOLECULE: AMYLOSUCRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA POLYSACCHAREA; . AUTHOR L.K.SKOV,O.MIRZA,D.SPROGOE,I.DAR,M.REMAUD-SIMEON,C.ALBENNE, . 628 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.7 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 . 81 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 3 1 4 1 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 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 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 0 125 0, 0.0 2,-0.0 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 138.2 87.5 42.8 -7.7 2 2 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 42,-0.0 -0.335 360.0-129.9 -74.0 158.8 90.5 43.9 -5.5 3 3 A N > - 0 0 91 1,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.632 22.8-102.4-108.3 169.2 93.3 41.5 -4.7 4 4 A S H > S+ 0 0 12 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.877 117.4 50.9 -54.9 -47.1 95.1 40.6 -1.5 5 5 A Q H > S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.953 111.8 47.0 -58.9 -51.8 98.2 42.7 -2.0 6 6 A Y H > S+ 0 0 101 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.941 114.2 46.7 -55.2 -52.3 96.1 45.8 -2.7 7 7 A L H X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.870 108.4 56.0 -61.3 -37.9 93.8 45.3 0.3 8 8 A K H X S+ 0 0 9 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.848 103.6 53.6 -64.8 -34.6 96.7 44.6 2.6 9 9 A T H < S+ 0 0 66 -4,-1.7 4,-0.4 -3,-0.3 -1,-0.2 0.875 109.4 49.4 -67.9 -34.7 98.4 47.9 1.8 10 10 A R H < S+ 0 0 101 -4,-1.4 3,-0.5 1,-0.2 -1,-0.2 0.760 103.1 59.7 -75.3 -24.5 95.2 49.8 2.7 11 11 A I H >< S+ 0 0 11 -4,-1.3 3,-0.8 1,-0.2 -1,-0.2 0.874 105.8 50.2 -68.5 -35.4 94.8 47.9 6.0 12 12 A L G >< S+ 0 0 4 -4,-1.3 3,-1.8 1,-0.2 -1,-0.2 0.569 85.6 87.5 -78.8 -10.2 98.2 49.4 7.0 13 13 A D G 3 S+ 0 0 98 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.610 73.7 72.6 -65.7 -10.8 97.2 52.9 6.0 14 14 A I G < S+ 0 0 100 -3,-0.8 -1,-0.3 -4,-0.2 2,-0.3 0.727 89.2 75.5 -75.2 -20.5 95.8 53.3 9.5 15 15 A Y S < S- 0 0 42 -3,-1.8 -3,-0.0 -4,-0.1 0, 0.0 -0.643 87.8-114.5 -94.4 149.4 99.3 53.5 10.8 16 16 A T > - 0 0 67 -2,-0.3 4,-3.6 1,-0.1 5,-0.3 -0.311 42.0 -97.0 -71.2 163.1 101.7 56.4 10.6 17 17 A P H > S+ 0 0 118 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.875 127.4 46.0 -49.4 -40.5 104.8 55.9 8.4 18 18 A E H > S+ 0 0 153 2,-0.2 4,-0.9 1,-0.2 -3,-0.0 0.916 115.5 43.6 -70.7 -45.5 106.8 55.1 11.5 19 19 A Q H >> S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 3,-0.9 0.935 109.9 58.2 -64.7 -46.4 104.2 52.8 13.1 20 20 A R H 3X S+ 0 0 50 -4,-3.6 4,-2.6 1,-0.3 5,-0.2 0.882 100.3 56.0 -50.1 -46.6 103.6 51.1 9.7 21 21 A A H 3< S+ 0 0 46 -4,-1.5 4,-0.4 -5,-0.3 -1,-0.3 0.841 107.9 49.7 -58.4 -33.9 107.2 50.1 9.4 22 22 A G H X< S+ 0 0 48 -4,-0.9 3,-0.7 -3,-0.9 -1,-0.2 0.899 110.6 48.5 -72.9 -40.4 107.0 48.3 12.8 23 23 A I H >< S+ 0 0 34 -4,-1.9 3,-2.6 1,-0.2 6,-0.4 0.954 104.3 58.5 -63.6 -51.3 103.9 46.4 11.9 24 24 A E T 3< S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.634 109.9 45.5 -55.8 -15.2 105.1 45.1 8.5 25 25 A K T < S+ 0 0 151 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.374 90.6 109.3-108.9 2.0 108.0 43.5 10.3 26 26 A S S <> S- 0 0 36 -3,-2.6 4,-1.7 -4,-0.2 5,-0.1 -0.466 72.6-128.2 -80.2 151.4 106.0 41.9 13.1 27 27 A E H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.858 108.5 56.7 -65.9 -35.9 105.4 38.2 13.3 28 28 A D H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 108.2 46.3 -62.9 -42.3 101.6 38.7 13.7 29 29 A W H > S+ 0 0 15 -6,-0.4 4,-3.2 1,-0.2 5,-0.2 0.868 108.1 57.9 -67.6 -34.8 101.5 40.6 10.4 30 30 A R H X S+ 0 0 105 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.911 111.1 41.6 -60.0 -44.4 103.6 38.0 8.8 31 31 A Q H X S+ 0 0 27 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.953 116.9 47.0 -68.0 -51.5 101.1 35.3 9.6 32 32 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.907 112.7 50.4 -56.6 -45.4 98.0 37.4 8.7 33 33 A S H X S+ 0 0 22 -4,-3.2 4,-1.9 2,-0.2 -1,-0.2 0.886 111.5 48.1 -62.5 -40.7 99.7 38.5 5.4 34 34 A R H X S+ 0 0 137 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.935 112.5 47.8 -66.3 -46.0 100.4 34.9 4.5 35 35 A R H X S+ 0 0 4 -4,-2.7 4,-3.1 1,-0.2 5,-0.4 0.831 107.7 57.3 -64.7 -32.1 96.9 33.7 5.3 36 36 A M H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.965 107.4 47.2 -61.3 -52.4 95.5 36.6 3.3 37 37 A D H < S+ 0 0 67 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.879 117.9 42.8 -57.0 -41.1 97.3 35.5 0.2 38 38 A T H < S+ 0 0 94 -4,-1.9 4,-0.2 -5,-0.1 -2,-0.2 0.919 130.0 19.8 -73.7 -44.4 96.2 31.9 0.7 39 39 A H H >X S+ 0 0 27 -4,-3.1 4,-1.7 -5,-0.1 3,-0.6 0.650 98.1 82.9-106.2 -17.2 92.6 32.4 1.6 40 40 A F H 3X S+ 0 0 4 -4,-3.0 4,-3.2 -5,-0.4 5,-0.3 0.905 85.8 63.9 -56.2 -41.6 91.4 35.9 0.5 41 41 A P H 3> S+ 0 0 73 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.895 105.1 45.6 -48.7 -44.5 90.7 34.6 -3.0 42 42 A K H <> S+ 0 0 56 -3,-0.6 4,-3.0 -4,-0.2 5,-0.2 0.940 112.4 50.7 -64.3 -47.6 88.0 32.3 -1.7 43 43 A L H X S+ 0 0 1 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.927 112.8 46.0 -56.1 -47.5 86.5 35.0 0.5 44 44 A M H X S+ 0 0 14 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.942 114.2 48.4 -61.7 -47.8 86.4 37.4 -2.4 45 45 A N H X S+ 0 0 100 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.886 111.8 48.3 -61.2 -42.4 84.9 34.8 -4.7 46 46 A E H X S+ 0 0 22 -4,-3.0 4,-1.2 2,-0.2 -1,-0.2 0.960 114.1 45.4 -64.8 -49.5 82.2 33.7 -2.3 47 47 A L H X S+ 0 0 1 -4,-2.3 4,-3.3 -5,-0.2 5,-0.4 0.859 111.4 53.8 -61.8 -36.8 81.1 37.2 -1.5 48 48 A D H X S+ 0 0 60 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.878 104.2 55.3 -66.2 -36.3 81.1 38.1 -5.2 49 49 A S H < S+ 0 0 65 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.812 118.1 35.3 -67.2 -27.7 78.8 35.2 -5.9 50 50 A V H < S+ 0 0 16 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.900 130.9 25.9 -91.4 -46.8 76.3 36.5 -3.4 51 51 A Y H >< S- 0 0 17 -4,-3.3 3,-1.5 1,-0.2 -3,-0.2 0.649 80.1-176.9 -95.4 -15.3 76.5 40.3 -3.7 52 52 A G T 3< S- 0 0 28 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.1 -0.299 70.2 -10.0 57.2-132.4 77.7 40.7 -7.3 53 53 A N T 3 S+ 0 0 168 4,-0.1 -1,-0.2 3,-0.0 -5,-0.1 0.084 86.5 154.0 -88.1 23.7 78.3 44.4 -8.2 54 54 A N X - 0 0 61 -3,-1.5 3,-1.3 1,-0.2 4,-0.5 -0.292 46.2-136.5 -53.8 130.2 76.7 45.7 -5.0 55 55 A E T 3 S+ 0 0 153 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.783 101.9 56.2 -62.6 -25.7 78.3 49.1 -4.3 56 56 A A T 3> S+ 0 0 4 1,-0.2 4,-2.7 2,-0.1 5,-0.3 0.630 85.3 84.1 -82.5 -12.7 78.6 48.3 -0.6 57 57 A L H <> S+ 0 0 11 -3,-1.3 4,-3.1 2,-0.2 5,-0.2 0.950 92.5 41.9 -54.7 -58.5 80.6 45.1 -1.1 58 58 A L H > S+ 0 0 73 -4,-0.5 4,-2.5 2,-0.2 5,-0.2 0.928 117.2 46.8 -57.6 -50.0 84.1 46.7 -1.4 59 59 A P H > S+ 0 0 58 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.915 115.5 46.9 -59.7 -41.5 83.6 49.2 1.4 60 60 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.921 111.1 52.7 -64.4 -43.0 82.2 46.4 3.6 61 61 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.891 109.3 47.1 -61.8 -42.4 85.0 44.1 2.7 62 62 A E H X S+ 0 0 40 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.873 112.8 49.9 -69.3 -34.7 87.7 46.6 3.6 63 63 A M H X S+ 0 0 86 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.931 111.7 49.3 -67.1 -44.1 86.0 47.3 6.9 64 64 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.916 111.8 47.2 -60.2 -46.4 85.8 43.6 7.6 65 65 A L H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.852 108.9 54.0 -65.8 -36.2 89.5 43.0 6.8 66 66 A A H X S+ 0 0 37 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.930 112.2 45.8 -62.6 -43.6 90.6 45.9 8.9 67 67 A Q H X S+ 0 0 55 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.888 109.2 55.2 -63.7 -42.8 88.6 44.3 11.8 68 68 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.905 108.3 48.9 -59.1 -43.3 90.0 40.9 11.0 69 69 A W H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.949 113.3 45.2 -62.3 -50.2 93.6 42.3 11.4 70 70 A Q H X S+ 0 0 64 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.898 113.2 51.8 -60.7 -40.5 92.9 44.0 14.7 71 71 A S H X S+ 0 0 11 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.937 112.6 44.2 -62.3 -46.4 91.1 40.9 15.9 72 72 A Y H < S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.823 110.4 55.6 -68.1 -31.5 94.1 38.7 15.0 73 73 A S H < S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.908 112.5 42.3 -66.6 -39.8 96.5 41.2 16.5 74 74 A Q H < S+ 0 0 141 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.681 87.6 119.3 -78.9 -19.5 94.7 41.0 19.8 75 75 A R S < S- 0 0 7 -4,-1.3 5,-0.1 -5,-0.2 202,-0.1 -0.221 74.7-105.1 -52.2 129.5 94.3 37.2 19.6 76 76 A N >> - 0 0 97 201,-0.3 4,-1.6 1,-0.1 3,-0.5 -0.228 21.9-122.5 -58.7 143.0 96.0 35.5 22.6 77 77 A S H 3> S+ 0 0 80 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.863 110.0 57.5 -55.2 -41.9 99.3 33.8 21.9 78 78 A S H 3> S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.894 107.5 48.2 -58.6 -39.5 98.1 30.4 23.2 79 79 A L H <> S+ 0 0 18 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.836 106.3 57.6 -69.2 -33.2 95.2 30.5 20.7 80 80 A K H X S+ 0 0 20 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.805 103.0 54.0 -67.5 -27.8 97.7 31.4 17.9 81 81 A D H X S+ 0 0 96 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.873 108.6 48.2 -72.3 -36.6 99.6 28.2 18.7 82 82 A I H X S+ 0 0 57 -4,-1.3 4,-2.7 2,-0.2 5,-0.3 0.880 107.0 58.9 -68.3 -37.0 96.4 26.2 18.3 83 83 A D H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.951 109.8 40.8 -54.8 -53.8 95.9 28.2 15.0 84 84 A I H X S+ 0 0 65 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.877 113.6 55.1 -63.8 -39.2 99.2 26.9 13.6 85 85 A A H < S+ 0 0 54 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.931 113.2 38.6 -62.3 -48.7 98.6 23.4 15.0 86 86 A R H >< S+ 0 0 28 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.803 106.6 65.3 -74.0 -26.2 95.2 22.8 13.4 87 87 A E H 3< S+ 0 0 78 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.828 113.2 36.1 -61.9 -28.7 96.4 24.6 10.2 88 88 A N T 3< S+ 0 0 122 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.067 120.5 49.4-111.0 22.3 98.8 21.6 10.0 89 89 A N X + 0 0 87 -3,-1.8 3,-1.6 -5,-0.0 -1,-0.2 -0.304 57.7 159.4-156.4 59.6 96.3 19.0 11.4 90 90 A P G > S+ 0 0 37 0, 0.0 3,-0.6 0, 0.0 -4,-0.1 0.771 73.3 58.9 -57.0 -29.2 93.0 19.3 9.5 91 91 A D G > + 0 0 61 1,-0.2 3,-1.7 2,-0.1 4,-0.5 0.203 64.7 110.1 -90.4 17.9 91.9 15.8 10.4 92 92 A W G X S+ 0 0 20 -3,-1.6 3,-0.9 1,-0.3 -1,-0.2 0.840 77.8 59.4 -59.2 -28.7 92.0 16.3 14.2 93 93 A I G < S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.688 100.3 55.6 -71.2 -20.6 88.2 16.1 14.0 94 94 A L G < S+ 0 0 27 -3,-1.7 459,-1.7 386,-0.1 -1,-0.2 0.490 80.3 118.2 -91.8 -5.2 88.4 12.6 12.4 95 95 A S X - 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