==== 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 1MW2 . 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) . 23496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 71.3 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 . 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 . 85 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 31.8 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 3 2 1 2 0 3 0 1 1 2 2 0 1 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 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 0 122 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 153.1 87.7 42.4 -8.0 2 2 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 42,-0.0 -0.181 360.0-131.2 -65.1 165.6 90.4 43.7 -5.7 3 3 A N > - 0 0 86 1,-0.1 4,-2.3 41,-0.0 5,-0.2 -0.767 20.1-100.9-120.7 168.0 93.2 41.3 -4.6 4 4 A S H > S+ 0 0 12 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.873 118.4 49.3 -50.9 -50.3 94.9 40.2 -1.4 5 5 A Q H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 110.6 51.4 -59.6 -45.2 98.0 42.3 -1.9 6 6 A Y H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.951 112.4 45.0 -56.0 -53.2 96.0 45.4 -2.6 7 7 A L H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.832 109.6 55.7 -62.9 -34.5 93.8 45.0 0.5 8 8 A K H X S+ 0 0 8 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.913 105.2 51.8 -66.9 -39.9 96.8 44.2 2.8 9 9 A T H >X S+ 0 0 65 -4,-2.0 4,-0.6 1,-0.2 3,-0.5 0.949 111.4 47.7 -60.3 -46.6 98.5 47.5 1.9 10 10 A R H >< S+ 0 0 104 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.833 105.7 58.8 -62.6 -33.6 95.4 49.4 2.7 11 11 A I H >< S+ 0 0 13 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.858 105.5 50.2 -64.2 -33.6 95.1 47.5 6.0 12 12 A L H X< S+ 0 0 6 -4,-1.6 3,-1.8 -3,-0.5 -1,-0.2 0.563 85.3 88.4 -81.1 -10.5 98.5 48.8 7.0 13 13 A D T << S+ 0 0 97 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.1 0.548 73.4 71.7 -67.2 -6.0 97.7 52.4 6.2 14 14 A I T < S+ 0 0 113 -3,-0.7 2,-0.4 -4,-0.2 -1,-0.3 0.653 86.6 80.4 -83.1 -14.2 96.3 53.0 9.7 15 15 A Y S < S- 0 0 41 -3,-1.8 -3,-0.0 1,-0.1 6,-0.0 -0.750 86.6-116.1 -96.4 139.3 99.9 52.8 11.1 16 16 A T > - 0 0 76 -2,-0.4 4,-3.1 1,-0.1 5,-0.2 -0.171 42.3 -94.9 -61.5 163.9 102.3 55.7 11.0 17 17 A P H > S+ 0 0 121 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.890 126.6 48.8 -49.3 -46.0 105.4 55.2 8.8 18 18 A E H > S+ 0 0 169 2,-0.2 4,-1.3 1,-0.2 -3,-0.0 0.937 115.7 42.2 -61.7 -49.6 107.4 54.0 11.8 19 19 A Q H >> S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 3,-0.6 0.957 107.5 59.9 -62.1 -53.6 104.8 51.6 13.1 20 20 A R H 3X S+ 0 0 52 -4,-3.1 4,-2.3 1,-0.3 -1,-0.2 0.871 102.2 55.4 -41.8 -47.3 104.0 50.2 9.6 21 21 A A H 3X S+ 0 0 44 -4,-1.6 4,-0.7 -5,-0.2 -1,-0.3 0.924 110.0 44.4 -54.6 -49.8 107.6 49.1 9.3 22 22 A G H XX S+ 0 0 45 -4,-1.3 4,-1.1 -3,-0.6 3,-1.1 0.922 110.0 54.6 -63.2 -46.1 107.4 47.1 12.5 23 23 A I H >< S+ 0 0 35 -4,-2.4 3,-1.0 1,-0.3 6,-0.4 0.924 104.4 53.8 -53.6 -50.4 104.1 45.5 11.8 24 24 A E H 3< S+ 0 0 88 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.693 110.1 49.0 -61.1 -18.2 105.2 44.2 8.4 25 25 A K H << S+ 0 0 156 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.661 91.0 104.2 -95.4 -17.5 108.2 42.5 10.1 26 26 A S S S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.913 108.7 57.6 -57.2 -47.8 105.2 37.1 13.1 28 28 A D H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 109.2 43.8 -52.4 -48.6 101.5 37.9 13.4 29 29 A W H > S+ 0 0 13 -6,-0.4 4,-3.8 2,-0.2 5,-0.3 0.899 109.4 57.6 -65.2 -40.1 101.4 39.8 10.2 30 30 A R H X S+ 0 0 114 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.945 112.4 40.3 -54.8 -51.1 103.5 37.2 8.4 31 31 A Q H X S+ 0 0 13 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.916 116.9 49.6 -64.9 -44.4 101.0 34.5 9.2 32 32 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.920 111.5 48.9 -61.0 -45.6 98.1 36.8 8.5 33 33 A S H X S+ 0 0 22 -4,-3.8 4,-2.3 2,-0.2 -2,-0.2 0.928 111.4 49.2 -60.7 -47.4 99.5 37.8 5.2 34 34 A R H X S+ 0 0 82 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.904 113.2 46.0 -60.0 -44.1 100.2 34.2 4.1 35 35 A R H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.4 0.856 108.6 57.3 -69.8 -32.6 96.7 33.1 5.0 36 36 A M H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.960 108.8 45.3 -61.2 -50.1 95.2 36.1 3.3 37 37 A D H < S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 118.1 44.5 -60.7 -39.4 96.9 35.1 -0.0 38 38 A T H < S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.2 4,-0.2 0.873 129.1 21.0 -75.4 -37.2 95.8 31.5 0.4 39 39 A H H X S+ 0 0 28 -4,-3.2 4,-1.7 -5,-0.1 3,-0.5 0.631 100.0 82.0-110.8 -13.9 92.2 32.1 1.5 40 40 A F H X S+ 0 0 6 -4,-3.0 4,-2.9 -5,-0.4 5,-0.3 0.919 86.0 62.9 -58.2 -44.0 91.2 35.5 0.3 41 41 A P H > S+ 0 0 73 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.885 105.8 46.0 -46.5 -45.2 90.5 34.3 -3.2 42 42 A K H > S+ 0 0 53 -3,-0.5 4,-3.1 -4,-0.2 5,-0.3 0.928 111.8 50.2 -65.9 -45.7 87.7 32.0 -1.9 43 43 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.953 114.3 44.4 -56.9 -52.5 86.2 34.7 0.3 44 44 A M H X S+ 0 0 14 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.948 115.2 48.4 -57.3 -52.6 86.1 37.2 -2.5 45 45 A N H X S+ 0 0 98 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.903 114.0 45.0 -55.9 -47.9 84.7 34.6 -4.9 46 46 A E H X S+ 0 0 22 -4,-3.1 4,-1.0 2,-0.2 -1,-0.2 0.936 115.8 46.8 -65.0 -46.1 82.0 33.4 -2.6 47 47 A L H >X S+ 0 0 1 -4,-2.9 4,-3.2 -5,-0.3 3,-0.7 0.912 112.5 50.0 -61.5 -44.0 81.0 37.0 -1.6 48 48 A D H 3X S+ 0 0 59 -4,-3.2 4,-1.9 -5,-0.3 -1,-0.2 0.907 103.8 59.0 -62.4 -39.9 80.9 38.1 -5.2 49 49 A S H 3< S+ 0 0 64 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.806 117.0 35.0 -60.8 -24.5 78.8 35.1 -6.2 50 50 A V H << S+ 0 0 18 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.885 130.2 25.1 -96.0 -45.5 76.2 36.4 -3.7 51 51 A Y H >< S- 0 0 22 -4,-3.2 3,-0.6 1,-0.2 -3,-0.2 0.684 81.3-172.4 -96.3 -19.0 76.4 40.2 -3.8 52 52 A G T 3< - 0 0 27 -4,-1.9 -1,-0.2 -5,-0.5 -2,-0.1 -0.392 68.9 -11.0 65.5-136.5 77.7 40.8 -7.4 53 53 A N T 3 S+ 0 0 166 -2,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.089 87.0 158.1 -88.9 34.8 78.6 44.4 -8.2 54 54 A N X> - 0 0 52 -3,-0.6 3,-2.5 1,-0.2 4,-0.5 -0.451 45.1-135.4 -62.8 122.9 76.9 45.7 -5.1 55 55 A E T 34 S+ 0 0 145 1,-0.3 3,-0.3 -2,-0.3 -1,-0.2 0.789 104.3 54.7 -49.7 -32.1 78.4 49.1 -4.3 56 56 A A T 3> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.591 86.9 84.1 -80.2 -11.3 78.7 48.1 -0.7 57 57 A L H <> S+ 0 0 12 -3,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.941 92.6 41.1 -58.3 -53.7 80.7 45.0 -1.4 58 58 A L H X S+ 0 0 73 -4,-0.5 4,-2.2 -3,-0.3 5,-0.2 0.954 118.1 45.7 -61.2 -53.3 84.2 46.5 -1.6 59 59 A P H > S+ 0 0 63 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.879 113.5 50.5 -58.4 -39.0 83.7 48.9 1.3 60 60 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.896 109.7 51.9 -66.1 -38.9 82.2 46.2 3.5 61 61 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.908 109.1 46.6 -65.0 -47.0 85.1 43.9 2.6 62 62 A E H X S+ 0 0 34 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.890 113.9 49.7 -64.9 -38.5 87.9 46.3 3.5 63 63 A M H X S+ 0 0 91 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.944 112.8 47.1 -64.1 -47.2 86.2 47.1 6.8 64 64 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.865 112.8 48.4 -62.7 -39.0 85.7 43.4 7.6 65 65 A L H X S+ 0 0 5 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.831 106.5 56.4 -71.9 -32.9 89.4 42.6 6.8 66 66 A A H X S+ 0 0 39 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.922 111.0 45.4 -63.5 -41.3 90.6 45.5 8.9 67 67 A Q H X S+ 0 0 52 -4,-1.8 4,-3.8 1,-0.2 5,-0.2 0.907 108.1 57.7 -65.3 -43.5 88.7 43.9 11.8 68 68 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.870 108.8 45.4 -55.4 -41.2 90.1 40.5 10.9 69 69 A W H X S+ 0 0 3 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.959 114.4 46.8 -68.5 -51.1 93.6 41.7 11.2 70 70 A Q H X S+ 0 0 64 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.936 113.8 50.3 -54.8 -46.6 92.9 43.5 14.5 71 71 A S H X S+ 0 0 11 -4,-3.8 4,-1.1 1,-0.2 -1,-0.2 0.908 113.1 45.0 -59.7 -43.4 91.1 40.4 15.7 72 72 A Y H < S+ 0 0 3 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.903 110.9 53.5 -69.6 -38.4 94.1 38.2 14.7 73 73 A S H < S+ 0 0 44 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.940 112.5 43.8 -60.1 -45.8 96.6 40.5 16.2 74 74 A Q H < S+ 0 0 138 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.691 88.0 119.1 -72.9 -18.7 94.8 40.5 19.6 75 75 A R S < S- 0 0 8 -4,-1.1 202,-0.1 -5,-0.2 203,-0.1 -0.211 75.0-104.9 -52.8 132.2 94.3 36.7 19.4 76 76 A N >> - 0 0 88 201,-0.3 4,-1.9 1,-0.1 3,-0.6 -0.316 20.9-122.7 -63.4 139.9 96.0 35.0 22.3 77 77 A S H 3> S+ 0 0 85 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.826 111.0 56.6 -50.7 -39.9 99.2 33.1 21.6 78 78 A S H 3> S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.915 107.6 47.9 -61.8 -42.0 97.8 29.9 22.9 79 79 A L H <> S+ 0 0 15 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.866 106.9 57.4 -66.8 -35.2 95.0 30.0 20.5 80 80 A K H X S+ 0 0 21 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.808 103.1 54.1 -65.4 -30.0 97.4 30.8 17.7 81 81 A D H X S+ 0 0 105 -4,-1.4 4,-2.6 -3,-0.3 -1,-0.2 0.923 108.5 48.1 -69.3 -42.6 99.2 27.6 18.5 82 82 A I H X S+ 0 0 41 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.844 107.9 57.6 -64.5 -31.1 95.9 25.7 18.1 83 83 A D H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.941 110.0 42.6 -62.5 -48.0 95.5 27.6 14.8 84 84 A I H X S+ 0 0 64 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.912 112.4 53.5 -64.6 -45.2 98.8 26.3 13.5 85 85 A A H < S+ 0 0 60 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.928 113.6 41.1 -57.0 -50.2 98.2 22.7 14.7 86 86 A R H >< S+ 0 0 27 -4,-2.2 3,-0.8 2,-0.2 -1,-0.2 0.800 106.0 63.8 -71.7 -28.7 94.8 22.4 13.0 87 87 A E H 3< S+ 0 0 52 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.944 113.1 36.3 -57.0 -46.1 96.0 24.1 9.9 88 88 A N T 3< S+ 0 0 135 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.357 121.4 47.8 -90.4 4.5 98.4 21.2 9.4 89 89 A N X + 0 0 83 -3,-0.8 3,-1.6 -4,-0.2 -1,-0.2 -0.500 58.3 162.2-143.2 68.6 96.0 18.6 10.8 90 90 A P G > S+ 0 0 30 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.710 73.7 62.3 -60.7 -21.3 92.6 19.1 9.1 91 91 A D G > + 0 0 60 1,-0.2 3,-2.6 2,-0.1 4,-0.5 0.307 63.3 109.1 -91.2 10.7 91.5 15.6 10.1 92 92 A W G X S+ 0 0 20 -3,-1.6 3,-1.0 1,-0.3 -1,-0.2 0.824 76.3 60.8 -53.9 -30.6 91.7 16.1 13.8 93 93 A I G < S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.648 99.3 56.2 -69.9 -17.5 87.9 16.0 13.7 94 94 A L G < S+ 0 0 22 -3,-2.6 459,-1.7 290,-0.1 -1,-0.2 0.490 77.4 121.9 -95.1 -4.7 88.1 12.4 12.4 95 95 A S X - 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