==== 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 25-JUN-01 1JGI . 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) . 23815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 7.8 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 . 41 6.5 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 . 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 2 2 2 2 2 2 0 0 2 2 1 1 0 1 2 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 3 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 0 PARALLEL BRIDGES PER LADDER . 3 2 6 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 2,-0.0 0.000 360.0 360.0 360.0 147.1 87.0 42.9 -7.7 2 2 A P - 0 0 32 0, 0.0 2,-0.2 0, 0.0 42,-0.0 -0.321 360.0-130.3 -70.4 154.1 89.8 44.2 -5.5 3 3 A N > - 0 0 90 1,-0.1 4,-2.4 41,-0.0 5,-0.2 -0.629 21.0-106.0-105.6 165.9 92.7 41.8 -4.6 4 4 A S H > S+ 0 0 11 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.908 116.8 51.1 -53.0 -51.0 94.3 40.9 -1.3 5 5 A Q H > S+ 0 0 151 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.909 112.1 46.9 -57.3 -44.9 97.5 43.0 -1.8 6 6 A Y H > S+ 0 0 99 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.942 113.0 47.6 -63.2 -49.7 95.5 46.1 -2.6 7 7 A L H X S+ 0 0 1 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.859 108.1 56.0 -62.3 -35.5 93.1 45.8 0.3 8 8 A K H X S+ 0 0 20 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.855 101.4 57.0 -66.3 -33.5 95.9 45.1 2.7 9 9 A T H < S+ 0 0 58 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.863 109.8 46.2 -64.5 -33.3 97.6 48.4 1.8 10 10 A R H >< S+ 0 0 101 -4,-1.2 3,-0.5 2,-0.2 -1,-0.2 0.754 104.6 59.8 -80.1 -25.6 94.4 50.2 2.7 11 11 A I H >< S+ 0 0 11 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.929 106.4 49.1 -65.5 -42.5 94.1 48.3 6.0 12 12 A L G >< S+ 0 0 3 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.543 86.0 89.6 -74.1 -7.1 97.5 49.7 7.0 13 13 A D G < S+ 0 0 95 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.629 72.5 71.7 -66.6 -11.9 96.4 53.3 6.0 14 14 A I G < S+ 0 0 105 -3,-1.0 -1,-0.3 -4,-0.2 2,-0.2 0.719 89.8 77.3 -75.4 -18.3 95.1 53.8 9.6 15 15 A Y S < S- 0 0 43 -3,-1.7 -3,-0.0 -4,-0.1 0, 0.0 -0.606 84.8-117.7 -94.2 152.0 98.7 53.9 10.8 16 16 A T > - 0 0 68 -2,-0.2 4,-3.4 1,-0.1 5,-0.2 -0.341 41.7 -96.4 -76.1 165.7 101.2 56.7 10.5 17 17 A P H > S+ 0 0 112 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.903 126.3 48.8 -50.2 -43.3 104.4 56.1 8.4 18 18 A E H > S+ 0 0 174 2,-0.2 4,-1.2 1,-0.2 -3,-0.0 0.949 115.6 40.7 -63.2 -55.8 106.3 55.2 11.6 19 19 A Q H >> S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 3,-0.6 0.934 111.5 58.8 -59.7 -46.9 103.7 52.8 13.0 20 20 A R H 3X S+ 0 0 55 -4,-3.4 4,-2.9 1,-0.3 5,-0.2 0.917 101.6 52.5 -48.1 -54.7 103.1 51.3 9.6 21 21 A A H 3X S+ 0 0 45 -4,-2.1 4,-0.9 1,-0.2 -1,-0.3 0.869 110.4 51.3 -52.0 -37.0 106.7 50.3 9.2 22 22 A G H XX S+ 0 0 47 -4,-1.2 3,-0.7 -3,-0.6 4,-0.6 0.944 109.6 46.6 -66.9 -48.5 106.3 48.6 12.6 23 23 A I H >< S+ 0 0 30 -4,-2.3 3,-2.2 1,-0.2 6,-0.3 0.950 105.0 62.5 -57.4 -49.9 103.2 46.6 11.7 24 24 A E H 3< S+ 0 0 87 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.771 110.4 39.1 -45.9 -35.2 104.7 45.5 8.4 25 25 A K H << S+ 0 0 157 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.466 91.7 112.8 -98.0 -3.2 107.5 43.7 10.2 26 26 A S S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.873 106.8 56.6 -59.8 -40.2 104.7 38.6 13.2 28 28 A D H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.908 108.2 47.0 -60.6 -41.8 100.9 39.0 13.6 29 29 A W H > S+ 0 0 10 -6,-0.3 4,-3.4 2,-0.2 5,-0.2 0.893 108.8 54.3 -67.4 -38.8 100.8 41.0 10.3 30 30 A R H X S+ 0 0 108 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.906 111.6 45.8 -61.4 -40.8 102.9 38.4 8.5 31 31 A Q H X S+ 0 0 14 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.955 115.5 45.1 -65.2 -51.8 100.4 35.8 9.6 32 32 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.920 113.5 50.9 -57.7 -47.1 97.4 37.8 8.7 33 33 A S H X S+ 0 0 24 -4,-3.4 4,-2.2 2,-0.2 -1,-0.2 0.911 111.0 47.9 -58.0 -46.4 98.9 38.8 5.4 34 34 A R H X S+ 0 0 88 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.935 114.3 45.2 -61.6 -48.9 99.7 35.2 4.4 35 35 A R H X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 5,-0.4 0.865 108.9 58.3 -65.1 -35.2 96.2 34.0 5.3 36 36 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.955 107.5 46.2 -58.4 -50.6 94.7 36.9 3.4 37 37 A D H < S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.905 118.0 43.6 -60.2 -41.0 96.5 35.9 0.2 38 38 A T H < S+ 0 0 82 -4,-2.0 4,-0.2 -5,-0.2 -2,-0.2 0.930 129.6 20.7 -71.2 -46.1 95.4 32.3 0.7 39 39 A H H >X S+ 0 0 26 -4,-3.5 4,-1.6 -5,-0.1 3,-0.6 0.616 100.2 81.8-103.5 -14.5 91.8 32.8 1.7 40 40 A F H 3X S+ 0 0 4 -4,-2.9 4,-2.9 -5,-0.4 5,-0.3 0.918 85.8 63.1 -58.9 -43.6 90.7 36.2 0.6 41 41 A P H 3> S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.879 105.4 47.0 -47.9 -40.4 90.0 35.0 -3.0 42 42 A K H <> S+ 0 0 54 -3,-0.6 4,-2.6 -4,-0.2 5,-0.2 0.912 110.9 50.8 -68.9 -42.8 87.3 32.7 -1.5 43 43 A L H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.929 112.8 46.4 -60.4 -45.6 85.8 35.5 0.6 44 44 A M H X S+ 0 0 16 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.932 113.2 48.4 -62.8 -48.4 85.6 37.8 -2.4 45 45 A N H X S+ 0 0 100 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.917 113.4 46.5 -60.4 -45.9 84.2 35.2 -4.7 46 46 A E H X S+ 0 0 18 -4,-2.6 4,-1.0 2,-0.2 3,-0.2 0.963 114.7 46.1 -62.8 -51.3 81.5 34.1 -2.2 47 47 A L H >X>S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 3,-0.6 0.888 112.6 51.8 -59.1 -38.8 80.4 37.7 -1.4 48 48 A D H 3X5S+ 0 0 58 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.845 103.2 57.7 -67.1 -33.6 80.4 38.6 -5.0 49 49 A S H 3<5S+ 0 0 67 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.737 119.0 32.1 -69.6 -20.4 78.1 35.6 -5.9 50 50 A V H <<5S+ 0 0 21 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.1 0.864 131.9 26.8 -99.6 -53.6 75.6 37.0 -3.4 51 51 A Y H ><5S+ 0 0 17 -4,-3.0 3,-2.0 1,-0.2 -3,-0.2 0.658 80.7 178.1 -88.3 -17.6 75.9 40.8 -3.5 52 52 A G T 3< - 0 0 61 -3,-2.0 3,-1.6 1,-0.2 4,-0.5 -0.198 49.5-131.5 -47.5 130.5 75.9 46.2 -4.8 55 55 A E T 34 S+ 0 0 152 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.829 105.0 54.6 -56.0 -32.6 77.4 49.6 -4.0 56 56 A A T 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.576 85.3 84.6 -80.9 -9.7 77.8 48.6 -0.4 57 57 A L H <> S+ 0 0 10 -3,-1.6 4,-3.2 2,-0.2 5,-0.2 0.962 92.5 41.4 -57.9 -57.9 79.9 45.5 -1.0 58 58 A L H X S+ 0 0 75 -4,-0.5 4,-2.8 -3,-0.2 5,-0.3 0.948 117.6 46.8 -56.9 -53.1 83.3 47.1 -1.3 59 59 A P H > S+ 0 0 62 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.904 115.9 46.5 -56.4 -42.7 82.8 49.6 1.6 60 60 A M H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.942 111.6 52.1 -64.6 -46.6 81.4 46.7 3.8 61 61 A L H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.3 5,-0.2 0.920 110.5 45.9 -56.6 -49.3 84.3 44.4 2.7 62 62 A E H X S+ 0 0 36 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.875 112.9 51.1 -64.6 -35.6 87.0 46.9 3.7 63 63 A M H X S+ 0 0 91 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.929 111.0 49.4 -65.2 -43.5 85.3 47.6 6.9 64 64 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.891 111.8 47.4 -61.9 -42.3 85.1 43.9 7.6 65 65 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.883 109.7 51.6 -69.0 -39.3 88.8 43.4 6.8 66 66 A A H X S+ 0 0 37 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.919 113.7 46.5 -62.1 -41.0 90.0 46.3 9.0 67 67 A Q H X S+ 0 0 58 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.870 109.8 53.6 -67.1 -39.7 87.9 44.8 11.8 68 68 A A H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.916 108.3 49.7 -62.9 -44.5 89.3 41.3 11.1 69 69 A W H X S+ 0 0 4 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.936 112.1 47.0 -60.3 -48.4 92.9 42.6 11.4 70 70 A Q H X S+ 0 0 62 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.909 112.2 51.7 -61.5 -40.4 92.2 44.3 14.7 71 71 A S H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.950 113.2 42.9 -61.9 -48.6 90.4 41.2 15.9 72 72 A Y H < S+ 0 0 2 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.888 111.0 55.6 -64.8 -38.8 93.4 39.0 15.0 73 73 A S H < S+ 0 0 46 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.889 113.7 41.8 -59.6 -38.9 95.9 41.5 16.4 74 74 A Q H < S+ 0 0 139 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.796 88.2 116.0 -77.3 -31.2 94.0 41.3 19.7 75 75 A R S < S- 0 0 6 -4,-2.1 5,-0.1 -5,-0.2 202,-0.1 -0.086 77.6-101.9 -43.1 131.9 93.6 37.5 19.6 76 76 A N >> - 0 0 96 201,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.225 22.5-121.1 -64.4 145.0 95.5 35.9 22.5 77 77 A S H 3> S+ 0 0 77 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.854 112.0 55.1 -52.3 -42.9 98.8 34.3 21.8 78 78 A S H 3> S+ 0 0 70 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.895 108.0 48.8 -62.0 -39.8 97.6 30.9 23.0 79 79 A L H <> S+ 0 0 18 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.835 106.2 57.2 -69.0 -31.8 94.7 31.0 20.6 80 80 A K H X S+ 0 0 22 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.819 103.7 53.7 -68.4 -28.2 97.1 31.9 17.8 81 81 A D H X S+ 0 0 93 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.854 108.1 48.8 -72.9 -33.8 99.0 28.7 18.6 82 82 A I H X S+ 0 0 62 -4,-1.3 4,-3.2 2,-0.2 5,-0.3 0.852 106.2 58.3 -71.4 -34.7 95.8 26.7 18.2 83 83 A D H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.935 109.3 44.3 -58.3 -46.3 95.2 28.5 15.0 84 84 A I H X S+ 0 0 59 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.907 114.2 48.1 -66.1 -44.0 98.5 27.2 13.7 85 85 A A H X S+ 0 0 52 -4,-2.1 4,-1.5 1,-0.2 3,-0.3 0.947 113.1 48.2 -61.7 -48.9 98.0 23.7 15.0 86 86 A R H < S+ 0 0 31 -4,-3.2 3,-0.3 1,-0.2 -1,-0.2 0.895 107.3 56.7 -58.7 -41.9 94.5 23.6 13.5 87 87 A E H < S+ 0 0 56 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.871 113.8 39.5 -57.3 -39.1 95.8 24.9 10.2 88 88 A N H < S+ 0 0 121 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.629 121.4 44.4 -85.9 -16.2 98.3 21.9 10.1 89 89 A N >< + 0 0 85 -4,-1.5 3,-1.2 -3,-0.3 -1,-0.2 -0.598 58.3 156.5-130.3 71.8 95.8 19.4 11.4 90 90 A P G > S+ 0 0 30 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.711 72.8 62.4 -68.5 -19.4 92.4 19.9 9.6 91 91 A D G > + 0 0 61 1,-0.2 3,-1.8 2,-0.1 4,-0.5 0.224 64.5 107.7 -92.4 15.4 91.4 16.3 10.4 92 92 A W G X S+ 0 0 14 -3,-1.2 3,-0.9 1,-0.3 -1,-0.2 0.816 76.4 60.4 -60.7 -28.1 91.5 16.6 14.2 93 93 A I G < S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.671 101.2 54.9 -71.4 -17.4 87.7 16.4 14.0 94 94 A L G < S+ 0 0 23 -3,-1.8 459,-1.6 386,-0.1 -1,-0.2 0.512 80.7 116.7 -94.0 -7.2 88.0 13.0 12.4 95 95 A S X - 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