==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-OCT-00 1G5A . COMPND 2 MOLECULE: AMYLOSUCRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA POLYSACCHAREA; . AUTHOR L.K.SKOV,O.MIRZA,A.HENRIKSEN,G.P.DE MONTALK,M.REMAUD-SIMEON, . 628 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 69.6 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 . 42 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 30.9 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 2 2 1 2 0 1 1 2 1 1 0 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 0 124 0, 0.0 44,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 137.3 87.1 43.1 -7.9 2 2 A P - 0 0 33 0, 0.0 2,-0.2 0, 0.0 42,-0.1 -0.335 360.0-130.4 -70.1 152.7 89.9 44.3 -5.6 3 3 A N > - 0 0 91 1,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.640 19.6-108.6-104.4 164.1 92.8 42.1 -4.8 4 4 A S H > S+ 0 0 12 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.884 114.7 52.2 -55.5 -47.0 94.5 41.1 -1.5 5 5 A Q H > S+ 0 0 149 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.937 112.2 46.1 -58.9 -47.6 97.7 43.2 -2.0 6 6 A Y H > S+ 0 0 104 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.932 112.2 50.0 -60.7 -48.5 95.7 46.3 -2.8 7 7 A L H X S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.856 107.1 55.7 -61.5 -34.9 93.3 45.9 0.1 8 8 A K H X S+ 0 0 17 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.864 101.0 56.9 -67.2 -34.9 96.1 45.3 2.6 9 9 A T H < S+ 0 0 58 -4,-1.5 4,-0.3 -3,-0.3 -1,-0.2 0.840 109.2 47.8 -65.0 -29.6 97.8 48.6 1.7 10 10 A R H >< S+ 0 0 102 -4,-1.1 3,-0.7 -3,-0.2 -1,-0.2 0.808 104.0 58.9 -80.0 -30.1 94.6 50.3 2.6 11 11 A I H >< S+ 0 0 13 -4,-1.5 3,-1.0 1,-0.2 -2,-0.2 0.935 107.2 49.5 -61.1 -43.3 94.3 48.4 5.9 12 12 A L G >< S+ 0 0 5 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.576 85.1 89.3 -73.3 -9.6 97.6 49.9 6.9 13 13 A D G < S+ 0 0 93 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.626 73.0 71.5 -65.3 -11.3 96.6 53.5 6.0 14 14 A I G < S+ 0 0 111 -3,-1.0 -1,-0.3 -4,-0.2 2,-0.3 0.684 88.5 80.1 -76.9 -15.1 95.3 54.0 9.5 15 15 A Y S < S- 0 0 44 -3,-1.9 -3,-0.0 -4,-0.1 0, 0.0 -0.641 84.8-117.2 -94.5 148.8 99.0 54.1 10.7 16 16 A T > - 0 0 71 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.336 41.6 -97.7 -72.3 163.8 101.4 57.0 10.5 17 17 A P H > S+ 0 0 117 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.891 126.0 47.9 -50.8 -42.1 104.5 56.4 8.4 18 18 A E H > S+ 0 0 171 2,-0.2 4,-1.1 1,-0.2 -3,-0.0 0.925 114.5 43.6 -66.5 -47.0 106.5 55.5 11.5 19 19 A Q H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.913 110.1 57.7 -65.1 -42.5 103.9 53.1 12.9 20 20 A R H X S+ 0 0 53 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.885 100.7 55.9 -55.3 -43.8 103.3 51.5 9.6 21 21 A A H X S+ 0 0 52 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.879 110.1 46.9 -58.3 -38.2 107.0 50.6 9.2 22 22 A G H >X S+ 0 0 44 -4,-1.1 3,-0.8 -3,-0.4 4,-0.8 0.923 110.3 51.0 -70.3 -44.7 106.8 48.7 12.5 23 23 A I H >< S+ 0 0 34 -4,-2.3 3,-1.4 1,-0.2 6,-0.4 0.927 105.1 57.0 -58.4 -46.7 103.5 46.9 11.7 24 24 A E H 3< S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.731 109.7 45.6 -58.8 -23.5 104.9 45.7 8.3 25 25 A K H << S+ 0 0 186 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.544 91.6 110.1 -95.9 -9.1 107.8 44.0 10.1 26 26 A S S S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.873 107.5 55.8 -65.5 -39.5 105.0 38.7 13.1 28 28 A D H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 109.1 46.0 -61.8 -42.8 101.2 39.2 13.4 29 29 A W H > S+ 0 0 16 -6,-0.4 4,-3.3 2,-0.2 5,-0.2 0.894 109.4 55.9 -67.3 -38.3 101.1 41.2 10.2 30 30 A R H X S+ 0 0 131 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.922 112.2 42.1 -58.2 -45.5 103.3 38.6 8.4 31 31 A Q H X S+ 0 0 15 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.914 116.1 48.1 -68.5 -44.6 100.8 35.8 9.4 32 32 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.917 111.9 50.6 -62.2 -44.0 97.7 37.9 8.5 33 33 A S H X S+ 0 0 27 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.899 110.3 49.2 -61.6 -42.9 99.2 38.9 5.2 34 34 A R H X S+ 0 0 94 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.937 112.7 46.6 -62.3 -48.6 100.0 35.3 4.3 35 35 A R H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.841 108.7 56.8 -64.6 -33.1 96.5 34.1 5.1 36 36 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.950 107.1 47.9 -62.8 -48.8 95.0 37.0 3.2 37 37 A D H < S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.887 117.9 42.2 -60.6 -37.2 96.8 36.1 0.0 38 38 A T H < S+ 0 0 84 -4,-1.8 -2,-0.2 -5,-0.2 4,-0.2 0.904 129.2 22.6 -76.6 -42.9 95.8 32.4 0.4 39 39 A H H >X S+ 0 0 26 -4,-3.0 4,-1.6 -5,-0.2 3,-0.7 0.644 99.2 81.8-104.1 -17.0 92.1 32.8 1.5 40 40 A F H 3X S+ 0 0 4 -4,-2.7 4,-2.8 -5,-0.4 5,-0.3 0.887 85.4 62.9 -58.5 -40.5 91.0 36.3 0.3 41 41 A P H 3> S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.887 105.1 47.7 -52.1 -39.1 90.2 35.1 -3.2 42 42 A K H <> S+ 0 0 56 -3,-0.7 4,-2.7 -4,-0.2 5,-0.2 0.919 110.9 50.4 -66.9 -44.3 87.6 32.7 -1.8 43 43 A L H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.922 113.2 45.9 -59.8 -45.6 86.1 35.5 0.4 44 44 A M H X S+ 0 0 15 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.915 113.0 49.3 -64.8 -45.2 85.8 37.8 -2.6 45 45 A N H X S+ 0 0 98 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.915 113.1 46.7 -62.2 -43.8 84.4 35.2 -4.9 46 46 A E H X S+ 0 0 20 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.938 114.4 46.2 -65.5 -46.3 81.7 34.1 -2.4 47 47 A L H X>S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.2 5,-0.5 0.882 111.7 52.6 -64.3 -36.9 80.7 37.7 -1.6 48 48 A D H X5S+ 0 0 61 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.879 103.8 56.4 -66.2 -36.8 80.6 38.6 -5.3 49 49 A S H <5S+ 0 0 65 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.770 118.9 33.5 -66.7 -23.2 78.3 35.6 -6.1 50 50 A V H <5S+ 0 0 18 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.882 132.5 24.0 -96.6 -50.8 75.8 37.0 -3.5 51 51 A Y H ><5S+ 0 0 17 -4,-3.1 3,-1.5 1,-0.2 -3,-0.2 0.660 80.4 178.6 -93.6 -17.3 76.1 40.8 -3.7 52 52 A G T 3< - 0 0 61 -3,-1.5 3,-1.4 1,-0.2 4,-0.5 -0.339 48.6-134.3 -57.5 130.9 76.2 46.2 -5.0 55 55 A E T 34 S+ 0 0 156 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.814 103.4 55.6 -58.8 -30.0 77.6 49.7 -4.2 56 56 A A T 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.624 86.1 83.1 -79.8 -12.9 78.0 48.7 -0.5 57 57 A L H <> S+ 0 0 11 -3,-1.4 4,-2.9 2,-0.2 5,-0.2 0.951 92.3 42.8 -56.2 -56.6 80.1 45.6 -1.2 58 58 A L H X S+ 0 0 79 -4,-0.5 4,-2.5 -3,-0.2 5,-0.2 0.937 117.5 45.2 -58.0 -51.4 83.5 47.3 -1.5 59 59 A P H > S+ 0 0 61 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.902 115.4 48.4 -61.4 -38.6 83.0 49.7 1.5 60 60 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.931 111.2 50.3 -65.5 -45.1 81.7 46.8 3.6 61 61 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.3 5,-0.2 0.910 110.0 48.8 -61.0 -44.5 84.5 44.5 2.7 62 62 A E H X S+ 0 0 37 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.883 112.1 49.6 -65.0 -35.7 87.2 47.1 3.5 63 63 A M H X S+ 0 0 84 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.918 111.7 49.1 -67.1 -42.5 85.5 47.7 6.9 64 64 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.900 110.7 49.1 -63.3 -43.0 85.4 44.0 7.6 65 65 A L H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.868 109.0 52.9 -66.4 -36.1 89.0 43.5 6.7 66 66 A A H X S+ 0 0 42 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.914 112.2 45.7 -64.0 -41.9 90.1 46.4 8.9 67 67 A Q H X S+ 0 0 54 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.872 109.3 55.6 -67.4 -39.0 88.2 44.8 11.8 68 68 A A H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.896 107.5 49.1 -61.9 -40.8 89.7 41.4 11.0 69 69 A W H X S+ 0 0 3 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.951 112.4 46.6 -64.7 -48.3 93.2 42.8 11.3 70 70 A Q H X S+ 0 0 64 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.913 112.9 51.3 -60.1 -40.7 92.5 44.4 14.6 71 71 A S H X S+ 0 0 11 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.937 112.5 44.3 -62.5 -46.6 90.8 41.2 15.8 72 72 A Y H < S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.900 111.1 53.9 -66.1 -39.6 93.8 39.1 14.9 73 73 A S H < S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.907 113.6 43.5 -59.5 -40.3 96.3 41.6 16.3 74 74 A Q H < S+ 0 0 138 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.740 86.9 117.5 -75.9 -26.8 94.3 41.4 19.6 75 75 A R S < S- 0 0 8 -4,-1.7 5,-0.1 -5,-0.2 202,-0.1 -0.145 76.0-103.6 -47.7 130.9 94.0 37.6 19.6 76 76 A N >> - 0 0 98 201,-0.3 4,-1.8 1,-0.1 3,-0.7 -0.253 22.4-122.5 -60.5 142.3 95.7 36.0 22.5 77 77 A S H 3> S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.828 110.8 56.8 -54.8 -37.7 99.1 34.2 21.8 78 78 A S H 3> S+ 0 0 77 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.872 107.9 47.8 -64.9 -35.7 97.8 30.9 23.1 79 79 A L H <> S+ 0 0 20 -3,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.837 106.3 58.4 -73.3 -31.9 94.9 30.9 20.6 80 80 A K H X S+ 0 0 20 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.810 102.6 54.0 -66.9 -28.4 97.4 31.9 17.8 81 81 A D H X S+ 0 0 95 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.868 108.1 48.9 -72.2 -35.9 99.3 28.7 18.6 82 82 A I H X S+ 0 0 61 -4,-1.1 4,-2.7 2,-0.2 5,-0.3 0.861 105.8 58.9 -69.9 -35.0 96.1 26.7 18.2 83 83 A D H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.946 110.2 42.0 -56.6 -49.3 95.5 28.5 14.9 84 84 A I H X S+ 0 0 65 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.902 111.7 55.5 -65.2 -42.4 98.8 27.2 13.6 85 85 A A H < S+ 0 0 55 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.924 113.4 40.3 -58.0 -46.5 98.2 23.7 15.0 86 86 A R H >< S+ 0 0 28 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.810 104.4 65.6 -76.0 -28.0 94.9 23.3 13.2 87 87 A E H 3< S+ 0 0 55 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.866 112.9 36.2 -58.5 -35.3 96.1 25.0 10.0 88 88 A N T 3< S+ 0 0 130 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.241 119.2 50.8-102.9 13.2 98.4 22.0 9.6 89 89 A N X + 0 0 83 -3,-1.4 3,-1.6 -5,-0.1 -1,-0.2 -0.437 57.2 160.3-146.4 64.2 96.1 19.4 11.1 90 90 A P G > S+ 0 0 33 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.721 72.8 61.4 -60.2 -22.4 92.7 19.7 9.2 91 91 A D G > + 0 0 66 1,-0.2 3,-1.7 2,-0.1 4,-0.5 0.208 63.8 109.1 -93.8 18.5 91.7 16.2 10.3 92 92 A W G X S+ 0 0 17 -3,-1.6 3,-0.9 1,-0.3 -1,-0.2 0.843 77.6 59.2 -60.2 -29.5 91.7 16.8 14.0 93 93 A I G < S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.652 101.6 54.0 -71.6 -17.0 87.9 16.6 13.8 94 94 A L G < S+ 0 0 22 -3,-1.7 459,-1.7 290,-0.1 -1,-0.2 0.440 79.9 118.4 -97.9 -2.4 88.2 13.0 12.4 95 95 A S X - 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