==== 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 4FLR . 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) . 23774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 69.4 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 . 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 . 74 11.8 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 . 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 1 3 2 2 3 1 0 0 2 2 1 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 . 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 0 137 0, 0.0 43,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 136.5 88.1 43.6 -8.2 2 2 A P - 0 0 29 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.095 360.0-137.0 -76.7-173.9 90.9 44.2 -5.8 3 3 A N > - 0 0 84 1,-0.1 4,-2.1 41,-0.0 5,-0.2 -0.832 27.4 -92.3-138.2 179.8 93.5 41.6 -4.7 4 4 A S H > S+ 0 0 11 -2,-0.3 4,-1.7 2,-0.2 5,-0.1 0.912 122.0 46.8 -60.6 -48.0 95.3 40.4 -1.5 5 5 A Q H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 111.4 52.3 -63.8 -44.3 98.3 42.7 -1.9 6 6 A Y H > S+ 0 0 88 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.922 111.9 44.4 -55.8 -50.4 96.2 45.8 -2.6 7 7 A L H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.785 108.6 58.6 -70.4 -28.3 94.0 45.3 0.5 8 8 A K H X S+ 0 0 6 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.899 106.0 47.8 -66.1 -40.8 97.1 44.6 2.7 9 9 A T H < S+ 0 0 66 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.761 113.0 48.9 -72.4 -26.5 98.6 48.0 1.8 10 10 A R H < S+ 0 0 122 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.757 108.3 53.9 -81.1 -26.9 95.3 49.7 2.6 11 11 A I H >< S+ 0 0 12 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.865 106.1 53.9 -68.0 -37.3 95.0 47.8 5.9 12 12 A L G >< S+ 0 0 3 -4,-1.7 3,-2.1 1,-0.2 -1,-0.2 0.690 83.6 88.4 -72.9 -17.4 98.5 49.1 6.8 13 13 A D G 3 S+ 0 0 97 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.597 70.2 74.7 -59.5 -14.6 97.5 52.7 6.2 14 14 A I G < S+ 0 0 112 -3,-1.0 2,-0.4 -4,-0.1 -1,-0.3 0.600 89.1 75.1 -73.9 -10.3 96.2 53.1 9.9 15 15 A Y S < S- 0 0 39 -3,-2.1 -3,-0.0 -4,-0.1 0, 0.0 -0.826 85.6-120.4-104.4 141.9 99.9 53.2 11.0 16 16 A T >> - 0 0 87 -2,-0.4 4,-2.4 1,-0.1 3,-0.8 -0.458 44.5 -95.7 -69.3 152.1 102.3 56.1 10.6 17 17 A P H 3> S+ 0 0 113 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.761 124.6 54.9 -43.0 -37.8 105.4 55.2 8.5 18 18 A E H 3> S+ 0 0 108 2,-0.2 4,-1.0 1,-0.2 3,-0.1 0.940 112.5 39.9 -63.5 -51.6 107.4 54.4 11.6 19 19 A Q H X> S+ 0 0 106 -3,-0.8 4,-2.5 1,-0.2 3,-0.5 0.908 108.9 63.1 -63.5 -43.9 104.9 51.9 13.0 20 20 A R H 3X S+ 0 0 53 -4,-2.4 4,-2.8 1,-0.3 5,-0.2 0.877 100.8 51.1 -49.0 -48.8 104.3 50.4 9.6 21 21 A A H 3X S+ 0 0 57 -4,-1.6 4,-0.8 1,-0.2 -1,-0.3 0.853 112.0 47.5 -59.4 -38.0 107.9 49.2 9.2 22 22 A G H << S+ 0 0 47 -4,-1.0 4,-0.4 -3,-0.5 -2,-0.2 0.864 112.8 48.8 -71.0 -38.1 107.7 47.5 12.6 23 23 A I H >< S+ 0 0 38 -4,-2.5 3,-1.4 1,-0.2 6,-0.4 0.927 107.6 53.2 -67.2 -47.3 104.4 45.9 11.8 24 24 A E H 3< S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.726 109.7 49.9 -62.5 -24.1 105.5 44.5 8.4 25 25 A K T 3< S+ 0 0 138 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.550 93.7 105.5 -88.5 -10.2 108.5 42.8 10.0 26 26 A S S <> S- 0 0 38 -3,-1.4 4,-1.8 -4,-0.4 5,-0.1 -0.234 75.1-124.6 -79.0 160.5 106.5 41.2 12.7 27 27 A E H > S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.913 108.6 54.4 -63.7 -48.2 105.5 37.5 13.2 28 28 A D H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.881 112.0 43.7 -57.9 -42.8 101.7 38.2 13.5 29 29 A W H > S+ 0 0 13 -6,-0.4 4,-3.5 2,-0.2 5,-0.3 0.887 109.0 57.1 -70.8 -40.7 101.7 40.2 10.1 30 30 A R H X S+ 0 0 70 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.917 112.7 41.1 -54.1 -47.0 103.8 37.6 8.3 31 31 A Q H X S+ 0 0 27 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.907 116.1 49.1 -70.1 -44.1 101.3 34.9 9.2 32 32 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.907 113.7 47.2 -59.3 -44.7 98.3 37.1 8.5 33 33 A S H X S+ 0 0 24 -4,-3.5 4,-2.1 2,-0.2 -2,-0.2 0.901 112.1 49.3 -64.9 -44.9 99.8 38.1 5.1 34 34 A R H X S+ 0 0 97 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.931 114.2 45.4 -58.1 -48.2 100.6 34.5 4.2 35 35 A R H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.830 108.5 56.9 -68.6 -34.1 97.1 33.4 5.1 36 36 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.916 107.8 49.1 -56.8 -45.3 95.6 36.4 3.2 37 37 A D H < S+ 0 0 74 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.867 116.3 42.0 -62.4 -39.4 97.5 35.2 0.1 38 38 A T H < S+ 0 0 81 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.849 128.7 22.7 -77.5 -36.1 96.2 31.6 0.5 39 39 A H H X S+ 0 0 24 -4,-2.5 4,-1.8 -5,-0.1 3,-0.4 0.626 97.1 82.1-116.6 -18.4 92.6 32.3 1.4 40 40 A F H X S+ 0 0 7 -4,-2.2 4,-3.3 -5,-0.4 5,-0.2 0.897 88.5 59.1 -59.1 -42.8 91.5 35.8 0.2 41 41 A P H > S+ 0 0 76 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.880 107.3 47.9 -55.5 -37.9 90.8 34.5 -3.4 42 42 A K H > S+ 0 0 59 -3,-0.4 4,-2.2 -4,-0.2 -2,-0.2 0.921 113.1 48.4 -62.9 -44.9 88.2 32.1 -2.0 43 43 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.923 113.0 47.1 -61.9 -47.8 86.7 34.9 0.1 44 44 A M H X S+ 0 0 19 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.935 113.1 48.9 -58.2 -50.1 86.5 37.3 -2.8 45 45 A N H X S+ 0 0 101 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.862 112.5 47.7 -59.2 -41.3 85.0 34.6 -5.1 46 46 A E H X S+ 0 0 26 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.886 115.4 43.3 -70.6 -41.1 82.3 33.6 -2.6 47 47 A L H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 5,-0.5 0.856 111.7 54.6 -74.3 -36.6 81.2 37.2 -1.8 48 48 A D H X S+ 0 0 65 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.835 104.9 54.3 -61.3 -36.9 81.3 38.2 -5.4 49 49 A S H < S+ 0 0 65 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.772 117.5 36.4 -70.4 -26.7 79.0 35.3 -6.3 50 50 A V H < S+ 0 0 18 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.1 0.891 132.6 23.6 -88.9 -48.7 76.5 36.6 -3.7 51 51 A Y H >< S+ 0 0 20 -4,-3.2 3,-0.7 1,-0.2 -3,-0.2 0.737 80.3 178.1 -97.0 -24.6 76.8 40.3 -4.0 52 52 A G T 3< S- 0 0 26 -4,-1.6 -1,-0.2 -5,-0.5 2,-0.2 -0.337 72.1 -4.0 59.1-131.6 78.1 40.8 -7.5 53 53 A N T 3 S+ 0 0 174 4,-0.1 -1,-0.2 3,-0.0 2,-0.1 -0.027 88.4 154.0 -86.0 32.3 78.6 44.5 -8.4 54 54 A N X - 0 0 58 -3,-0.7 3,-1.4 -2,-0.2 4,-0.5 -0.428 46.7-136.6 -63.2 131.2 77.1 45.7 -5.2 55 55 A E T 3 S+ 0 0 151 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.746 102.5 54.8 -61.7 -24.4 78.5 49.2 -4.4 56 56 A A T 3> S+ 0 0 2 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.609 85.7 84.4 -85.4 -12.9 78.9 48.2 -0.7 57 57 A L H <> S+ 0 0 13 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.914 89.9 45.0 -60.5 -52.1 81.1 45.1 -1.4 58 58 A L H > S+ 0 0 74 -4,-0.5 4,-2.2 2,-0.2 5,-0.2 0.966 118.1 41.4 -57.5 -57.8 84.5 46.8 -1.7 59 59 A P H > S+ 0 0 51 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.824 114.7 52.3 -65.7 -31.4 84.2 49.1 1.4 60 60 A M H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.924 110.9 48.5 -61.0 -46.8 82.6 46.3 3.5 61 61 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.852 111.0 48.8 -64.3 -39.7 85.4 44.0 2.6 62 62 A E H X S+ 0 0 34 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.885 114.2 46.9 -67.5 -39.9 88.1 46.6 3.4 63 63 A M H X S+ 0 0 88 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.900 113.5 49.1 -65.8 -43.5 86.3 47.2 6.7 64 64 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.934 113.3 44.7 -61.7 -50.4 86.0 43.4 7.4 65 65 A L H X S+ 0 0 3 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.828 108.6 57.9 -67.4 -32.3 89.7 42.7 6.6 66 66 A A H X S+ 0 0 39 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.898 112.1 41.9 -60.4 -40.0 90.8 45.7 8.7 67 67 A Q H X S+ 0 0 59 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.829 108.7 59.2 -75.8 -33.7 88.9 44.1 11.6 68 68 A A H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.915 108.9 45.5 -58.8 -44.1 90.3 40.6 10.8 69 69 A W H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.930 113.1 48.4 -64.9 -48.9 93.8 42.0 11.2 70 70 A Q H X S+ 0 0 73 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.952 113.3 49.5 -53.9 -50.2 93.0 43.8 14.4 71 71 A S H X S+ 0 0 8 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.882 113.5 44.1 -58.8 -45.3 91.3 40.6 15.7 72 72 A Y H < S+ 0 0 3 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.845 110.9 55.7 -70.5 -32.7 94.3 38.4 14.8 73 73 A S H < S+ 0 0 45 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.960 112.4 41.8 -60.2 -50.7 96.7 40.9 16.2 74 74 A Q H < S+ 0 0 141 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.697 88.6 124.4 -66.0 -23.9 94.9 40.9 19.6 75 75 A R S < S- 0 0 6 -4,-1.1 5,-0.1 -5,-0.2 202,-0.1 -0.134 71.5-108.3 -52.1 125.1 94.6 37.1 19.4 76 76 A N >> - 0 0 95 201,-0.3 4,-1.4 1,-0.1 3,-1.0 -0.257 21.5-125.7 -55.3 136.7 96.1 35.3 22.5 77 77 A S H 3> S+ 0 0 79 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.731 108.0 62.4 -61.9 -27.6 99.3 33.5 21.7 78 78 A S H 3> S+ 0 0 78 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.894 106.0 46.8 -59.6 -41.4 98.0 30.2 23.1 79 79 A L H <> S+ 0 0 13 -3,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.827 104.8 59.3 -72.5 -34.0 95.3 30.2 20.4 80 80 A K H X S+ 0 0 17 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.761 102.0 55.7 -64.6 -27.3 97.8 31.0 17.7 81 81 A D H X S+ 0 0 101 -4,-1.1 4,-2.2 -3,-0.3 -1,-0.2 0.875 109.0 45.5 -69.3 -40.1 99.6 27.8 18.6 82 82 A I H X S+ 0 0 41 -4,-1.1 4,-2.8 2,-0.2 5,-0.3 0.804 108.5 58.7 -71.4 -31.3 96.3 25.9 18.0 83 83 A D H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.946 111.3 40.1 -58.4 -49.9 95.9 27.9 14.8 84 84 A I H X S+ 0 0 59 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.879 115.4 53.0 -68.8 -39.4 99.2 26.5 13.5 85 85 A A H X S+ 0 0 55 -4,-2.2 4,-0.7 2,-0.2 3,-0.3 0.933 114.1 39.6 -62.2 -50.7 98.5 23.0 14.9 86 86 A R H < S+ 0 0 26 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.812 109.4 61.9 -72.9 -28.2 95.1 22.6 13.2 87 87 A E H < S+ 0 0 50 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.845 113.4 36.4 -60.7 -34.9 96.4 24.3 10.1 88 88 A N H < S+ 0 0 130 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.487 122.3 46.4 -98.8 -6.4 98.8 21.4 9.8 89 89 A N >< + 0 0 86 -4,-0.7 3,-1.7 -5,-0.1 -1,-0.2 -0.554 59.4 162.1-132.7 68.7 96.4 18.8 11.1 90 90 A P G > S+ 0 0 37 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.749 74.1 62.2 -58.3 -23.6 93.1 19.3 9.3 91 91 A D G > + 0 0 63 1,-0.2 3,-1.8 2,-0.1 4,-0.3 0.241 64.3 109.2 -91.0 12.3 92.0 15.8 10.3 92 92 A W G X S+ 0 0 18 -3,-1.7 3,-1.2 1,-0.3 -1,-0.2 0.866 76.9 58.4 -54.9 -36.9 92.0 16.4 14.0 93 93 A I G < S+ 0 0 1 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.714 100.9 57.3 -60.0 -25.3 88.2 16.2 13.9 94 94 A L G < S+ 0 0 25 -3,-1.8 459,-1.8 290,-0.1 -1,-0.2 0.429 79.1 116.8 -92.9 -0.4 88.4 12.7 12.4 95 95 A S X - 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