==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JUN-01 1JG9 . COMPND 2 MOLECULE: AMYLOSUCRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA POLYSACCHAREA; . AUTHOR O.MIRZA,L.K.SKOV,M.GAJHEDE . 628 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 70.4 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 . 44 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.7 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 . 11 1.8 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 2 3 1 0 1 1 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 . 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 0 115 0, 0.0 44,-0.0 0, 0.0 52,-0.0 0.000 360.0 360.0 360.0 146.0 87.0 43.0 -7.7 2 2 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 42,-0.0 -0.073 360.0-125.2 -65.8 169.8 90.1 44.0 -5.7 3 3 A N > - 0 0 90 1,-0.1 4,-2.4 41,-0.0 5,-0.2 -0.778 21.6-109.3-117.9 163.0 93.2 41.8 -4.8 4 4 A S H > S+ 0 0 13 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.879 114.0 52.2 -57.3 -47.4 94.9 40.9 -1.5 5 5 A Q H > S+ 0 0 109 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.937 111.9 45.8 -58.0 -49.5 98.1 43.0 -2.1 6 6 A Y H > S+ 0 0 103 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.937 113.2 49.2 -59.6 -49.3 96.1 46.2 -2.8 7 7 A L H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 3,-0.3 0.863 107.6 54.6 -61.3 -36.8 93.7 45.7 0.1 8 8 A K H X S+ 0 0 9 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.869 102.3 57.1 -65.9 -35.2 96.6 45.1 2.6 9 9 A T H < S+ 0 0 64 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.817 109.1 47.2 -65.4 -27.6 98.2 48.4 1.6 10 10 A R H >< S+ 0 0 101 -4,-1.1 3,-0.7 -3,-0.3 -1,-0.2 0.792 104.5 59.2 -83.2 -28.5 95.0 50.1 2.6 11 11 A I H >< S+ 0 0 13 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.923 105.9 50.0 -63.4 -42.3 94.7 48.2 5.9 12 12 A L G >< S+ 0 0 3 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.558 85.2 90.3 -73.6 -8.3 98.1 49.6 6.9 13 13 A D G < S+ 0 0 99 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.612 71.8 72.0 -65.9 -10.1 97.0 53.2 6.0 14 14 A I G < S+ 0 0 110 -3,-1.0 2,-0.3 -4,-0.2 -1,-0.3 0.675 88.5 80.0 -77.1 -15.5 95.7 53.8 9.5 15 15 A Y S < S- 0 0 45 -3,-1.9 -3,-0.0 -4,-0.1 0, 0.0 -0.658 83.9-118.5 -96.2 147.5 99.3 53.9 10.7 16 16 A T > - 0 0 68 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.273 42.0 -97.4 -70.6 166.8 101.8 56.8 10.5 17 17 A P H > S+ 0 0 114 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.931 125.1 47.7 -53.8 -46.2 104.9 56.1 8.4 18 18 A E H > S+ 0 0 176 1,-0.2 4,-1.0 2,-0.2 -3,-0.0 0.915 115.4 44.1 -62.6 -46.8 107.0 55.3 11.5 19 19 A Q H >> S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.916 109.5 57.3 -64.9 -44.0 104.4 52.9 12.9 20 20 A R H 3X S+ 0 0 57 -4,-3.0 4,-2.7 1,-0.3 -1,-0.2 0.900 101.2 55.4 -53.7 -46.9 103.7 51.3 9.6 21 21 A A H 3X S+ 0 0 60 -4,-1.9 4,-0.8 1,-0.2 -1,-0.3 0.857 109.3 48.8 -57.2 -35.2 107.3 50.3 9.1 22 22 A G H << S+ 0 0 48 -4,-1.0 3,-0.4 -3,-0.5 4,-0.3 0.890 109.6 50.1 -72.8 -39.6 107.2 48.5 12.4 23 23 A I H >< S+ 0 0 33 -4,-2.1 3,-2.0 1,-0.2 6,-0.3 0.936 104.6 59.3 -63.0 -45.3 103.9 46.6 11.7 24 24 A E H 3< S+ 0 0 77 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.776 109.6 43.4 -54.2 -30.3 105.4 45.5 8.3 25 25 A K T 3< S+ 0 0 165 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.397 92.3 110.7 -97.9 2.4 108.2 43.7 10.2 26 26 A S S <> S- 0 0 35 -3,-2.0 4,-1.5 -4,-0.3 5,-0.1 -0.430 71.3-129.3 -79.1 152.8 106.0 42.2 12.9 27 27 A E H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.890 107.6 54.4 -66.1 -41.2 105.3 38.5 13.2 28 28 A D H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 108.5 48.0 -60.8 -44.2 101.6 39.0 13.4 29 29 A W H > S+ 0 0 9 -6,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.860 109.5 54.3 -65.6 -33.4 101.5 41.0 10.2 30 30 A R H X S+ 0 0 133 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.891 111.9 43.1 -66.7 -39.4 103.5 38.3 8.5 31 31 A Q H X S+ 0 0 21 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.913 116.3 47.5 -71.2 -43.7 101.1 35.6 9.4 32 32 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.928 111.5 51.3 -63.0 -45.7 98.1 37.7 8.6 33 33 A S H X S+ 0 0 26 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.900 110.6 48.3 -58.5 -44.5 99.6 38.7 5.3 34 34 A R H X S+ 0 0 100 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.913 113.0 46.9 -63.4 -45.8 100.3 35.1 4.3 35 35 A R H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.870 108.8 56.2 -65.8 -36.8 96.8 33.9 5.2 36 36 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.949 107.8 47.6 -59.3 -49.7 95.3 36.8 3.3 37 37 A D H < S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.908 117.7 42.8 -59.7 -40.6 97.1 35.9 0.1 38 38 A T H < S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.1 4,-0.2 0.917 129.6 21.8 -72.3 -44.4 96.0 32.2 0.5 39 39 A H H >X S+ 0 0 26 -4,-3.2 4,-1.6 -5,-0.1 3,-0.7 0.640 98.8 82.5-103.8 -17.5 92.4 32.7 1.6 40 40 A F H 3X S+ 0 0 5 -4,-2.9 4,-3.0 -5,-0.4 5,-0.3 0.883 85.5 63.9 -56.9 -40.1 91.3 36.1 0.5 41 41 A P H 3> S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.880 105.1 46.1 -50.8 -41.2 90.5 34.9 -3.1 42 42 A K H <> S+ 0 0 53 -3,-0.7 4,-2.8 -4,-0.2 5,-0.3 0.909 111.4 51.3 -68.1 -43.6 87.8 32.6 -1.6 43 43 A L H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.946 113.5 44.6 -59.0 -48.6 86.4 35.4 0.5 44 44 A M H X S+ 0 0 15 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.923 113.9 49.3 -62.4 -46.6 86.2 37.7 -2.4 45 45 A N H X S+ 0 0 99 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.912 113.3 46.1 -60.9 -44.8 84.7 35.1 -4.8 46 46 A E H X S+ 0 0 22 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.934 114.1 47.2 -65.4 -45.8 82.0 34.0 -2.3 47 47 A L H X>S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 5,-0.5 0.873 111.4 52.6 -64.3 -35.5 81.0 37.6 -1.4 48 48 A D H X5S+ 0 0 57 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.885 104.0 55.6 -67.4 -37.7 80.9 38.5 -5.1 49 49 A S H <5S+ 0 0 64 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.807 118.4 35.0 -65.5 -26.9 78.6 35.6 -5.9 50 50 A V H <5S+ 0 0 18 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.908 132.4 22.8 -91.4 -51.0 76.1 36.9 -3.3 51 51 A Y H ><5S- 0 0 18 -4,-2.9 3,-1.4 1,-0.2 -3,-0.2 0.648 80.7-179.7 -95.1 -17.5 76.4 40.6 -3.5 52 52 A G T 3<< - 0 0 26 -4,-1.7 -1,-0.2 -5,-0.5 -2,-0.1 -0.255 69.8 -7.6 55.7-132.3 77.7 41.1 -7.0 53 53 A N T 3 S+ 0 0 171 4,-0.1 -1,-0.2 3,-0.0 2,-0.1 0.055 86.8 154.2 -87.6 27.3 78.2 44.8 -7.9 54 54 A N X> - 0 0 61 -3,-1.4 3,-1.9 1,-0.2 4,-0.6 -0.344 47.7-135.2 -57.9 126.3 76.6 46.1 -4.8 55 55 A E T 34 S+ 0 0 156 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.792 103.8 55.1 -54.9 -27.5 78.0 49.6 -4.1 56 56 A A T 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.605 86.6 81.7 -83.7 -11.5 78.3 48.6 -0.4 57 57 A L H <> S+ 0 0 10 -3,-1.9 4,-3.1 2,-0.2 5,-0.2 0.944 92.5 43.4 -60.3 -53.2 80.4 45.5 -1.0 58 58 A L H X S+ 0 0 73 -4,-0.6 4,-2.6 2,-0.2 5,-0.2 0.940 116.8 46.3 -61.0 -48.2 83.8 47.1 -1.3 59 59 A P H > S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.919 115.6 47.2 -60.5 -42.2 83.4 49.5 1.6 60 60 A M H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.939 111.5 51.0 -63.1 -47.2 82.0 46.7 3.8 61 61 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 -5,-0.2 5,-0.2 0.917 110.3 48.0 -58.8 -45.5 84.8 44.3 2.8 62 62 A E H X S+ 0 0 40 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.885 112.2 49.6 -65.0 -36.0 87.5 46.9 3.6 63 63 A M H X S+ 0 0 81 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.920 112.2 49.1 -67.0 -41.0 85.9 47.6 6.9 64 64 A L H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.921 110.6 48.9 -63.5 -44.8 85.7 43.8 7.6 65 65 A L H X S+ 0 0 3 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.856 109.3 53.1 -64.3 -34.7 89.4 43.3 6.7 66 66 A A H X S+ 0 0 40 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.912 111.8 45.8 -66.0 -41.8 90.5 46.2 8.9 67 67 A Q H X S+ 0 0 47 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.854 109.4 55.5 -66.9 -38.7 88.5 44.6 11.8 68 68 A A H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.916 108.3 47.5 -62.1 -45.2 90.0 41.2 11.0 69 69 A W H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.931 113.6 47.4 -62.7 -46.0 93.6 42.5 11.3 70 70 A Q H X S+ 0 0 66 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.927 112.6 50.7 -61.8 -41.3 92.8 44.3 14.6 71 71 A S H X S+ 0 0 12 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.930 112.4 45.3 -61.8 -45.8 91.2 41.1 15.8 72 72 A Y H < S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.889 109.8 54.9 -66.2 -37.9 94.1 38.9 14.9 73 73 A S H < S+ 0 0 47 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.894 112.4 44.1 -60.8 -39.7 96.6 41.4 16.4 74 74 A Q H < S+ 0 0 133 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.729 87.2 116.7 -76.1 -25.8 94.7 41.3 19.7 75 75 A R S < S- 0 0 5 -4,-1.5 202,-0.1 -5,-0.2 5,-0.1 -0.128 75.2-104.1 -49.1 136.1 94.4 37.5 19.6 76 76 A N > - 0 0 98 201,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.313 21.8-122.5 -66.6 145.4 96.2 35.7 22.5 77 77 A S H > S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.856 111.3 56.9 -54.6 -41.3 99.5 34.0 21.8 78 78 A S H > S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.921 108.0 47.8 -59.2 -43.2 98.2 30.7 23.1 79 79 A L H > S+ 0 0 17 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.848 107.3 56.4 -66.7 -34.1 95.3 30.8 20.6 80 80 A K H X S+ 0 0 21 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.828 103.9 53.9 -67.2 -30.0 97.7 31.7 17.8 81 81 A D H X S+ 0 0 92 -4,-1.7 4,-2.2 -3,-0.2 -1,-0.2 0.885 108.5 48.6 -69.9 -37.1 99.7 28.5 18.6 82 82 A I H X S+ 0 0 65 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.871 106.3 58.6 -69.1 -35.4 96.5 26.5 18.2 83 83 A D H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.947 110.1 41.8 -57.2 -49.6 95.8 28.4 14.9 84 84 A I H X S+ 0 0 64 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.887 111.8 56.3 -65.7 -39.4 99.1 27.1 13.5 85 85 A A H < S+ 0 0 54 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.938 114.0 37.6 -58.6 -49.4 98.6 23.6 15.0 86 86 A R H >< S+ 0 0 30 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.762 105.5 67.1 -76.1 -25.0 95.2 23.1 13.2 87 87 A E H 3< S+ 0 0 56 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.824 112.0 36.3 -62.9 -28.7 96.4 24.9 10.1 88 88 A N T 3< S+ 0 0 124 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.281 118.9 50.1-108.2 10.4 98.7 21.9 9.7 89 89 A N X + 0 0 85 -3,-1.0 3,-1.6 -5,-0.1 -1,-0.2 -0.476 57.3 162.4-145.6 66.1 96.4 19.2 11.1 90 90 A P G > S+ 0 0 35 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.731 73.9 61.0 -59.1 -23.5 93.1 19.6 9.2 91 91 A D G > + 0 0 64 1,-0.2 3,-1.7 2,-0.1 4,-0.5 0.210 64.4 109.6 -92.5 17.4 92.0 16.1 10.3 92 92 A W G X S+ 0 0 18 -3,-1.6 3,-0.7 1,-0.3 -1,-0.2 0.806 78.0 57.6 -60.4 -26.6 92.1 16.7 14.0 93 93 A I G < S+ 0 0 1 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.635 101.6 56.1 -76.5 -16.1 88.3 16.5 13.9 94 94 A L G < S+ 0 0 22 -3,-1.7 459,-1.7 290,-0.1 -1,-0.2 0.461 78.9 117.1 -96.8 -2.7 88.5 12.9 12.4 95 95 A S X - 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