==== 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 1MW1 . 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) . 23974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 443 70.5 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 . 43 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 13.1 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 . 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 2 2 0 2 2 0 1 1 2 2 0 0 2 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 0 130 0, 0.0 2,-0.0 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 138.2 87.7 43.0 -7.9 2 2 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 42,-0.0 -0.321 360.0-130.4 -72.8 158.2 90.6 44.1 -5.6 3 3 A N > - 0 0 94 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.672 21.9-104.4-109.0 166.5 93.5 41.8 -4.8 4 4 A S H > S+ 0 0 11 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.893 116.6 52.1 -53.2 -50.0 95.1 40.7 -1.5 5 5 A Q H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 110.6 48.7 -56.4 -47.8 98.3 42.8 -1.9 6 6 A Y H > S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.949 112.8 46.6 -56.7 -54.0 96.3 46.0 -2.6 7 7 A L H X S+ 0 0 2 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.854 109.8 54.8 -59.7 -36.4 93.9 45.5 0.4 8 8 A K H X S+ 0 0 16 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.871 104.3 53.1 -67.7 -35.9 96.8 44.7 2.7 9 9 A T H < S+ 0 0 55 -4,-1.9 4,-0.5 -3,-0.3 -1,-0.2 0.917 110.9 47.7 -64.7 -40.0 98.6 48.0 1.9 10 10 A R H < S+ 0 0 102 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.787 105.5 58.5 -70.7 -28.0 95.5 49.9 2.7 11 11 A I H >< S+ 0 0 11 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.918 106.0 49.7 -66.7 -40.0 95.1 48.0 6.0 12 12 A L G >< S+ 0 0 4 -4,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.605 86.4 89.4 -73.1 -11.9 98.6 49.2 7.0 13 13 A D G 3 S+ 0 0 96 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.1 0.573 73.3 70.3 -64.1 -7.6 97.6 52.8 6.2 14 14 A I G < S+ 0 0 109 -3,-1.0 -1,-0.3 -4,-0.1 2,-0.2 0.655 88.7 79.1 -83.1 -14.9 96.3 53.3 9.7 15 15 A Y S < S- 0 0 46 -3,-2.0 -3,-0.0 -4,-0.1 6,-0.0 -0.607 85.8-113.4 -94.4 154.1 99.9 53.2 11.0 16 16 A T > - 0 0 71 -2,-0.2 4,-3.4 1,-0.1 5,-0.2 -0.430 40.0-101.5 -76.3 159.1 102.4 56.0 11.0 17 17 A P H > S+ 0 0 114 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.905 124.7 48.7 -48.0 -48.8 105.5 55.4 8.8 18 18 A E H > S+ 0 0 177 1,-0.2 4,-1.1 2,-0.2 -3,-0.0 0.909 115.6 44.0 -59.9 -43.4 107.6 54.5 11.8 19 19 A Q H >> S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 3,-0.7 0.956 108.6 57.3 -65.9 -51.4 104.9 52.1 13.1 20 20 A R H 3X S+ 0 0 53 -4,-3.4 4,-2.9 1,-0.3 5,-0.2 0.889 101.9 54.8 -45.5 -52.2 104.2 50.5 9.8 21 21 A A H 3X S+ 0 0 58 -4,-2.0 4,-0.5 1,-0.2 -1,-0.3 0.889 109.2 49.9 -52.1 -41.7 107.8 49.4 9.3 22 22 A G H XX S+ 0 0 47 -4,-1.1 3,-1.0 -3,-0.7 4,-0.6 0.938 111.5 46.2 -64.0 -48.2 107.6 47.7 12.6 23 23 A I H >< S+ 0 0 36 -4,-2.1 3,-2.0 1,-0.2 6,-0.3 0.943 105.2 59.8 -60.2 -49.7 104.3 45.8 11.8 24 24 A E H 3< S+ 0 0 87 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.643 110.8 43.2 -55.7 -15.4 105.5 44.7 8.4 25 25 A K H << S+ 0 0 173 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.512 92.4 109.0-107.3 -8.5 108.3 42.9 10.0 26 26 A S S S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.918 108.6 55.7 -68.3 -45.2 105.5 37.7 13.1 28 28 A D H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.932 109.8 46.4 -54.1 -48.3 101.7 38.3 13.4 29 29 A W H > S+ 0 0 13 -6,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.872 108.4 55.2 -63.9 -37.8 101.7 40.3 10.2 30 30 A R H X S+ 0 0 133 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.925 112.8 43.0 -61.1 -42.8 103.8 37.7 8.3 31 31 A Q H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.935 115.6 47.8 -67.7 -47.4 101.2 35.0 9.2 32 32 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.906 112.4 50.2 -59.5 -44.0 98.2 37.2 8.5 33 33 A S H X S+ 0 0 24 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.892 110.5 49.5 -62.2 -42.7 99.8 38.3 5.2 34 34 A R H X S+ 0 0 90 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.927 113.7 44.7 -63.0 -48.0 100.4 34.7 4.2 35 35 A R H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.5 0.864 109.3 57.6 -67.0 -34.6 96.9 33.5 5.0 36 36 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.968 108.7 45.5 -58.8 -51.7 95.5 36.6 3.2 37 37 A D H < S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.886 118.5 43.4 -59.2 -40.0 97.2 35.6 0.0 38 38 A T H < S+ 0 0 82 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.897 128.5 22.0 -74.0 -42.4 96.1 32.0 0.4 39 39 A H H >X S+ 0 0 25 -4,-3.3 4,-1.7 -5,-0.1 3,-0.7 0.644 99.4 82.2-105.1 -16.5 92.5 32.5 1.4 40 40 A F H 3X S+ 0 0 4 -4,-2.8 4,-2.8 -5,-0.5 5,-0.3 0.897 86.0 61.5 -58.0 -41.7 91.4 35.9 0.3 41 41 A P H 3> S+ 0 0 73 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.870 105.7 48.0 -52.7 -37.8 90.7 34.8 -3.3 42 42 A K H <> S+ 0 0 56 -3,-0.7 4,-2.7 -4,-0.2 5,-0.2 0.920 111.2 49.8 -68.3 -44.5 88.1 32.4 -1.9 43 43 A L H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.915 113.1 46.2 -60.3 -45.4 86.5 35.1 0.3 44 44 A M H X S+ 0 0 15 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.934 113.6 49.0 -63.4 -48.1 86.3 37.6 -2.6 45 45 A N H X S+ 0 0 98 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.913 113.0 46.3 -59.9 -45.5 84.9 35.0 -5.0 46 46 A E H X S+ 0 0 23 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.954 114.9 46.2 -64.3 -48.5 82.2 33.8 -2.5 47 47 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.4 0.852 112.1 52.5 -62.4 -35.3 81.1 37.4 -1.6 48 48 A D H X S+ 0 0 61 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.891 103.4 55.9 -68.0 -39.2 81.1 38.3 -5.3 49 49 A S H < S+ 0 0 65 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.809 119.6 34.1 -63.6 -26.4 78.8 35.4 -6.3 50 50 A V H < S+ 0 0 17 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.894 129.9 27.7 -94.1 -49.2 76.4 36.7 -3.7 51 51 A Y H >< S- 0 0 16 -4,-3.3 3,-1.7 1,-0.2 -3,-0.2 0.626 80.6-178.2 -92.6 -13.7 76.7 40.5 -3.7 52 52 A G T 3< - 0 0 29 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.1 -0.293 69.8 -11.3 56.1-124.3 77.8 41.0 -7.3 53 53 A N T 3 S+ 0 0 170 -2,-0.1 -1,-0.2 4,-0.1 -5,-0.1 0.056 86.9 155.2 -97.8 24.8 78.4 44.7 -8.1 54 54 A N X> - 0 0 58 -3,-1.7 3,-1.5 1,-0.2 4,-0.5 -0.286 46.0-135.3 -54.0 129.7 76.8 46.0 -4.9 55 55 A E T 34 S+ 0 0 151 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.768 102.8 55.2 -60.5 -26.6 78.3 49.4 -4.2 56 56 A A T 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.1 5,-0.3 0.569 86.5 83.6 -84.7 -8.4 78.7 48.5 -0.5 57 57 A L H <> S+ 0 0 10 -3,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.944 92.1 42.7 -61.0 -51.9 80.7 45.4 -1.2 58 58 A L H X S+ 0 0 77 -4,-0.5 4,-2.4 -3,-0.2 5,-0.2 0.958 117.6 45.9 -61.0 -52.8 84.2 47.0 -1.6 59 59 A P H > S+ 0 0 60 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.893 115.5 47.1 -57.0 -42.1 83.7 49.3 1.4 60 60 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.916 110.5 53.3 -66.0 -42.8 82.3 46.5 3.6 61 61 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.924 109.9 45.6 -59.6 -48.2 85.2 44.2 2.6 62 62 A E H X S+ 0 0 36 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.861 113.4 50.9 -65.6 -34.8 87.9 46.7 3.5 63 63 A M H X S+ 0 0 92 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.930 111.3 48.3 -66.7 -44.9 86.2 47.4 6.8 64 64 A L H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.897 111.6 49.2 -61.7 -42.7 85.9 43.7 7.6 65 65 A L H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.859 108.7 51.4 -67.3 -37.7 89.6 43.0 6.7 66 66 A A H X S+ 0 0 39 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.916 113.0 48.1 -63.2 -40.8 90.9 45.9 8.9 67 67 A Q H X S+ 0 0 54 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.891 108.2 54.6 -64.2 -42.3 88.8 44.3 11.6 68 68 A A H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.879 108.4 48.5 -60.9 -40.9 90.2 40.9 10.8 69 69 A W H X S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.932 111.5 48.3 -66.5 -46.7 93.8 42.2 11.2 70 70 A Q H X S+ 0 0 67 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.919 113.4 49.2 -59.7 -42.8 93.0 43.9 14.6 71 71 A S H X S+ 0 0 12 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.926 114.0 43.9 -63.5 -45.9 91.3 40.7 15.8 72 72 A Y H < S+ 0 0 3 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.877 111.9 53.9 -67.8 -36.6 94.2 38.5 14.7 73 73 A S H < S+ 0 0 42 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.933 113.2 42.4 -61.9 -45.1 96.8 40.9 16.1 74 74 A Q H < S+ 0 0 143 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.700 88.2 120.7 -73.7 -21.8 95.0 40.9 19.5 75 75 A R S < S- 0 0 6 -4,-1.4 5,-0.1 -5,-0.2 202,-0.1 -0.154 74.5-102.1 -49.5 131.7 94.5 37.1 19.4 76 76 A N >> - 0 0 90 201,-0.3 4,-2.0 1,-0.1 3,-0.8 -0.264 22.3-125.6 -59.6 138.5 96.1 35.3 22.4 77 77 A S H 3> S+ 0 0 81 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.855 109.8 55.9 -52.4 -43.3 99.5 33.5 21.6 78 78 A S H 3> S+ 0 0 77 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.851 108.3 48.4 -61.1 -34.7 98.2 30.2 23.0 79 79 A L H <> S+ 0 0 18 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.885 106.6 56.5 -72.6 -37.5 95.3 30.4 20.5 80 80 A K H X S+ 0 0 20 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.804 102.4 56.3 -63.0 -29.2 97.7 31.2 17.7 81 81 A D H X S+ 0 0 100 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.888 107.3 48.2 -69.4 -36.7 99.6 28.0 18.5 82 82 A I H X S+ 0 0 58 -4,-1.1 4,-2.6 2,-0.2 5,-0.4 0.879 107.0 57.5 -68.5 -37.4 96.3 26.1 18.0 83 83 A D H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.952 109.8 43.9 -55.7 -51.0 95.8 28.0 14.7 84 84 A I H X S+ 0 0 65 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.889 112.3 53.8 -61.4 -41.4 99.2 26.7 13.5 85 85 A A H < S+ 0 0 55 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.948 115.6 35.8 -60.9 -53.1 98.4 23.2 14.7 86 86 A R H >< S+ 0 0 26 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.817 108.2 64.9 -72.5 -30.6 95.1 22.7 13.0 87 87 A E H 3< S+ 0 0 55 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.823 113.5 36.9 -60.2 -27.1 96.2 24.6 9.9 88 88 A N T 3< S+ 0 0 122 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.346 121.1 46.2-106.6 5.0 98.6 21.7 9.6 89 89 A N X + 0 0 84 -3,-1.2 3,-1.7 1,-0.1 -1,-0.2 -0.479 58.1 164.6-145.2 68.2 96.3 19.0 10.8 90 90 A P G > S+ 0 0 33 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.721 74.2 61.8 -58.2 -23.5 92.9 19.4 9.0 91 91 A D G > + 0 0 60 1,-0.2 3,-1.9 2,-0.1 4,-0.5 0.240 63.9 108.5 -91.5 15.0 91.9 15.8 10.0 92 92 A W G X S+ 0 0 19 -3,-1.7 3,-0.9 1,-0.3 -1,-0.2 0.829 77.1 60.2 -58.6 -28.6 92.0 16.4 13.8 93 93 A I G < S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.687 99.5 56.2 -71.6 -18.3 88.2 16.2 13.6 94 94 A L G < S+ 0 0 25 -3,-1.9 459,-1.7 290,-0.1 -1,-0.2 0.492 79.5 119.5 -92.5 -4.2 88.4 12.6 12.2 95 95 A S X - 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