==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-OCT-11 3UEQ . COMPND 2 MOLECULE: AMYLOSUCRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA POLYSACCHAREA; . AUTHOR F.GUERIN,S.PIZZUT-SERIN,G.POTOCKI-VERONESE,V.GUILLET,L.MOURE . 632 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 69.5 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 . 44 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 31.3 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 3 1 2 0 0 2 2 1 0 1 1 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 -3 A G 0 0 106 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-176.7 90.1 40.9 -12.3 2 -2 A P > - 0 0 105 0, 0.0 3,-2.3 0, 0.0 0, 0.0 -0.130 360.0 -58.5 -77.0 171.6 92.2 43.3 -14.5 3 -1 A L T 3 S+ 0 0 113 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.224 129.0 32.7 -47.8 124.9 95.2 45.5 -13.6 4 0 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -3,-0.1 0, 0.0 0.097 92.3 113.7 110.8 -21.9 93.7 47.9 -10.9 5 1 A S S < S- 0 0 32 -3,-2.3 -1,-0.3 1,-0.1 5,-0.1 -0.205 73.5 -78.8 -86.3 173.1 91.1 45.6 -9.2 6 2 A P + 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.400 55.0 151.4 -80.2 148.7 91.2 44.2 -5.6 7 3 A N > - 0 0 75 -2,-0.1 4,-2.6 1,-0.0 5,-0.2 -0.922 60.0 -85.5-160.4 170.5 93.4 41.3 -4.5 8 4 A S H > S+ 0 0 11 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.834 125.3 49.8 -54.2 -38.2 95.1 40.2 -1.3 9 5 A Q H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 111.6 47.0 -73.7 -46.9 98.2 42.4 -1.9 10 6 A Y H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.947 114.8 47.8 -50.8 -51.0 96.2 45.5 -2.6 11 7 A L H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.900 109.1 52.6 -66.7 -37.9 94.0 44.9 0.4 12 8 A K H X S+ 0 0 10 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.898 105.6 53.7 -65.7 -39.0 97.0 44.3 2.7 13 9 A T H < S+ 0 0 63 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.902 111.2 47.6 -63.3 -38.4 98.7 47.6 1.8 14 10 A R H >< S+ 0 0 101 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.853 106.6 56.3 -71.2 -34.5 95.5 49.4 2.7 15 11 A I H >< S+ 0 0 11 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.926 106.2 52.1 -56.5 -45.9 95.2 47.5 6.0 16 12 A L G >< S+ 0 0 4 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.585 86.8 86.2 -71.7 -9.0 98.7 48.8 6.9 17 13 A D G < S+ 0 0 95 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.605 72.4 71.8 -68.4 -11.8 97.8 52.4 6.2 18 14 A I G < S+ 0 0 112 -3,-1.2 -1,-0.3 -4,-0.2 2,-0.2 0.621 88.4 83.8 -77.0 -9.7 96.4 52.9 9.7 19 15 A Y S < S- 0 0 41 -3,-1.7 -3,-0.0 -4,-0.1 0, 0.0 -0.637 85.8-114.1 -96.6 148.4 100.0 52.9 10.9 20 16 A T > - 0 0 68 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.414 41.1-106.3 -63.7 155.3 102.6 55.7 11.1 21 17 A P H > S+ 0 0 117 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.859 124.2 52.2 -56.5 -35.2 105.5 54.8 8.7 22 18 A E H > S+ 0 0 83 2,-0.2 4,-1.1 1,-0.2 3,-0.1 0.971 113.1 43.0 -62.7 -52.6 107.6 54.0 11.7 23 19 A Q H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.857 109.7 58.8 -57.8 -41.7 105.0 51.6 13.1 24 20 A R H X S+ 0 0 53 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.913 99.2 56.1 -58.7 -47.1 104.3 50.1 9.7 25 21 A A H X S+ 0 0 68 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.870 111.2 45.1 -54.0 -42.4 107.9 49.0 9.3 26 22 A G H X S+ 0 0 46 -4,-1.1 4,-1.0 -3,-0.3 -1,-0.2 0.880 110.5 52.6 -67.3 -44.9 107.7 47.0 12.6 27 23 A I H >< S+ 0 0 34 -4,-2.3 3,-1.4 1,-0.2 6,-0.4 0.967 108.6 51.7 -56.3 -50.1 104.3 45.5 11.8 28 24 A E H 3< S+ 0 0 97 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.799 110.1 47.9 -60.4 -32.9 105.6 44.2 8.4 29 25 A K H 3< S+ 0 0 87 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.669 93.9 108.3 -78.5 -16.5 108.5 42.5 10.0 30 26 A S S S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.876 109.2 54.5 -59.2 -44.2 105.5 37.2 13.1 32 28 A D H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 110.3 46.9 -60.9 -42.6 101.8 37.9 13.4 33 29 A W H > S+ 0 0 11 -6,-0.4 4,-3.2 1,-0.2 -1,-0.2 0.890 108.6 53.2 -67.8 -37.7 101.8 39.9 10.2 34 30 A R H X S+ 0 0 50 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.883 113.0 45.2 -63.1 -40.6 103.8 37.3 8.2 35 31 A Q H X S+ 0 0 23 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.943 115.2 46.4 -68.8 -49.4 101.2 34.6 9.3 36 32 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.898 112.7 51.6 -55.6 -43.9 98.3 36.9 8.5 37 33 A S H X S+ 0 0 25 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.912 110.3 46.4 -63.4 -45.3 99.8 37.9 5.1 38 34 A R H X S+ 0 0 94 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.906 113.1 49.4 -68.5 -39.1 100.4 34.3 4.0 39 35 A R H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.4 0.889 108.8 54.3 -67.1 -37.2 96.9 33.2 5.0 40 36 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.945 110.1 46.5 -54.2 -49.8 95.5 36.2 3.1 41 37 A D H < S+ 0 0 79 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.917 117.8 42.5 -61.3 -42.6 97.3 35.1 0.0 42 38 A T H < S+ 0 0 85 -4,-2.2 4,-0.2 1,-0.1 -2,-0.2 0.913 130.1 20.4 -67.4 -45.5 96.2 31.5 0.4 43 39 A H H X S+ 0 0 25 -4,-2.9 4,-1.8 -5,-0.2 3,-0.3 0.578 99.2 83.3-112.4 -15.9 92.5 32.0 1.3 44 40 A F H X S+ 0 0 5 -4,-2.5 4,-2.8 -5,-0.4 5,-0.3 0.899 85.9 61.1 -60.0 -39.3 91.5 35.5 0.3 45 41 A P H > S+ 0 0 78 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.904 106.6 47.6 -59.0 -34.3 90.8 34.4 -3.3 46 42 A K H > S+ 0 0 55 -3,-0.3 4,-2.8 -4,-0.2 5,-0.3 0.931 110.7 50.4 -63.7 -50.3 88.1 32.1 -2.0 47 43 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.933 114.5 44.7 -53.5 -48.5 86.6 34.8 0.3 48 44 A M H X S+ 0 0 37 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.924 113.9 49.3 -64.6 -46.4 86.4 37.2 -2.7 49 45 A N H X S+ 0 0 97 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.924 112.7 46.8 -59.6 -44.5 85.0 34.5 -5.1 50 46 A E H X S+ 0 0 21 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.941 115.4 45.5 -64.7 -47.1 82.3 33.5 -2.6 51 47 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 -5,-0.3 5,-0.5 0.889 111.4 51.8 -65.2 -40.5 81.3 37.1 -1.9 52 48 A D H X S+ 0 0 74 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.893 105.4 56.4 -58.2 -41.6 81.2 38.0 -5.5 53 49 A S H < S+ 0 0 65 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.856 118.2 33.8 -62.7 -29.3 79.0 35.0 -6.3 54 50 A V H < S+ 0 0 18 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.939 131.4 25.6 -87.3 -51.8 76.5 36.4 -3.7 55 51 A Y H >< S- 0 0 18 -4,-3.3 3,-1.3 1,-0.2 -3,-0.2 0.616 81.1-174.3 -99.8 -15.6 76.7 40.2 -3.9 56 52 A G T 3< S- 0 0 28 -4,-2.0 -1,-0.2 -5,-0.5 -2,-0.1 -0.296 70.7 -11.8 56.2-132.5 77.9 40.6 -7.5 57 53 A N T 3 S+ 0 0 165 4,-0.1 -1,-0.2 3,-0.0 -5,-0.1 0.020 87.2 157.2 -94.0 32.5 78.7 44.3 -8.3 58 54 A N X - 0 0 59 -3,-1.3 3,-1.6 1,-0.2 4,-0.5 -0.319 46.8-132.5 -55.1 127.0 77.0 45.7 -5.2 59 55 A E T 3 S+ 0 0 153 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.802 104.3 54.8 -51.3 -33.9 78.5 49.1 -4.4 60 56 A A T 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.621 85.7 85.1 -81.5 -10.4 78.9 48.1 -0.7 61 57 A L H <> S+ 0 0 11 -3,-1.6 4,-2.5 2,-0.2 5,-0.2 0.940 91.9 40.1 -62.2 -55.6 81.0 45.0 -1.4 62 58 A L H > S+ 0 0 66 -4,-0.5 4,-2.5 -3,-0.2 5,-0.2 0.953 118.6 46.6 -60.1 -49.5 84.5 46.5 -1.7 63 59 A P H > S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.903 114.6 49.1 -57.0 -40.1 84.0 49.0 1.3 64 60 A M H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.928 110.9 49.6 -67.3 -42.6 82.5 46.2 3.4 65 61 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.900 110.2 49.2 -65.8 -41.8 85.4 43.8 2.6 66 62 A E H X S+ 0 0 41 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.889 112.5 49.6 -62.9 -38.7 88.1 46.3 3.4 67 63 A M H X S+ 0 0 83 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.961 113.2 46.4 -62.0 -49.4 86.3 47.1 6.7 68 64 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.868 111.4 49.8 -63.1 -41.0 86.1 43.4 7.5 69 65 A L H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.847 108.6 53.2 -69.8 -31.2 89.7 42.6 6.6 70 66 A A H X S+ 0 0 39 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.920 112.4 46.0 -63.7 -40.7 90.9 45.5 8.8 71 67 A Q H X S+ 0 0 55 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.886 108.5 55.5 -66.9 -40.1 88.9 44.0 11.6 72 68 A A H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.870 109.5 47.5 -61.4 -43.0 90.3 40.5 10.8 73 69 A W H X S+ 0 0 3 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.934 112.2 47.9 -63.0 -45.4 93.9 41.8 11.2 74 70 A Q H X S+ 0 0 67 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.946 114.4 49.0 -63.5 -37.8 93.1 43.6 14.5 75 71 A S H X S+ 0 0 13 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.933 112.4 44.9 -65.8 -44.9 91.4 40.4 15.6 76 72 A Y H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.899 111.6 54.4 -67.9 -38.6 94.3 38.2 14.7 77 73 A S H < S+ 0 0 44 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.927 113.5 41.9 -58.2 -42.4 96.8 40.7 16.2 78 74 A Q H < S+ 0 0 137 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.683 87.1 119.9 -75.7 -22.0 95.0 40.5 19.6 79 75 A R S < S- 0 0 7 -4,-1.4 5,-0.1 -3,-0.2 202,-0.1 -0.196 75.0-108.0 -55.6 129.1 94.5 36.8 19.3 80 76 A N >> - 0 0 88 201,-0.3 4,-2.1 1,-0.1 3,-0.7 -0.270 21.4-121.3 -62.3 142.0 96.2 35.1 22.4 81 77 A S H 3> S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.836 111.4 57.8 -58.6 -33.4 99.5 33.2 21.6 82 78 A S H 3> S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.922 107.9 47.5 -63.2 -37.1 98.1 29.9 23.0 83 79 A L H <> S+ 0 0 16 -3,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.904 107.2 56.4 -70.2 -39.1 95.2 30.1 20.5 84 80 A K H X S+ 0 0 21 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.837 104.5 53.9 -59.5 -31.6 97.8 30.9 17.7 85 81 A D H X S+ 0 0 97 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.898 108.2 48.2 -66.6 -40.0 99.5 27.6 18.6 86 82 A I H X S+ 0 0 56 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.859 108.7 56.2 -67.9 -35.8 96.2 25.8 18.1 87 83 A D H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.912 109.3 44.5 -59.3 -48.9 95.8 27.6 14.8 88 84 A I H X S+ 0 0 73 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.913 113.0 52.2 -61.4 -41.0 99.2 26.3 13.5 89 85 A A H X S+ 0 0 53 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.923 113.5 41.7 -66.7 -43.0 98.4 22.8 14.8 90 86 A R H < S+ 0 0 29 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.857 109.1 57.9 -74.0 -34.8 95.0 22.6 13.1 91 87 A E H < S+ 0 0 64 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.860 113.6 41.5 -52.6 -39.8 96.3 24.2 9.9 92 88 A N H < S+ 0 0 141 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.546 122.3 41.4 -85.0 -13.8 98.8 21.2 9.9 93 89 A N >< + 0 0 80 -4,-0.7 3,-1.8 -3,-0.3 -1,-0.2 -0.512 57.7 164.3-138.4 71.2 96.3 18.6 10.9 94 90 A P G > S+ 0 0 31 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.701 76.3 62.1 -59.9 -19.4 92.9 19.1 9.1 95 91 A D G > + 0 0 60 1,-0.2 3,-2.6 2,-0.1 4,-0.4 0.289 63.5 109.3 -94.5 12.2 91.9 15.5 10.1 96 92 A W G X S+ 0 0 19 -3,-1.8 3,-1.2 1,-0.3 -1,-0.2 0.864 76.5 59.4 -52.3 -35.5 92.0 16.1 13.9 97 93 A I G < S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.599 100.7 56.2 -64.0 -16.6 88.1 15.9 13.7 98 94 A L G < S+ 0 0 22 -3,-2.6 459,-1.9 290,-0.1 -1,-0.2 0.474 78.9 118.3 -99.8 -5.5 88.4 12.4 12.3 99 95 A S X - 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