==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-SEP-02 1MVY . COMPND 2 MOLECULE: AMYLOSUCRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA POLYSACCHAREA; . AUTHOR L.K.SKOV,O.MIRZA,D.SPROGOE,I.DAR,M.REMAUD-SIMEON,C.ALBENNE, . 628 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 69.1 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 . 43 6.8 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 . 194 30.9 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 3 2 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 0 121 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 136.2 87.7 42.5 -7.9 2 2 A P - 0 0 35 0, 0.0 2,-0.2 0, 0.0 42,-0.0 -0.171 360.0-124.5 -69.7 168.7 90.7 43.7 -5.8 3 3 A N > - 0 0 87 1,-0.1 4,-2.2 41,-0.0 5,-0.2 -0.692 21.8-102.0-115.7 169.8 93.5 41.3 -4.7 4 4 A S H > S+ 0 0 9 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.868 117.3 51.3 -54.9 -45.3 95.1 40.3 -1.4 5 5 A Q H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.949 110.5 47.6 -60.6 -51.3 98.2 42.4 -1.9 6 6 A Y H > S+ 0 0 95 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.935 113.7 47.5 -54.9 -51.5 96.3 45.6 -2.6 7 7 A L H X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.858 108.6 54.8 -61.3 -37.2 94.0 45.1 0.3 8 8 A K H X S+ 0 0 13 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.848 104.0 54.7 -66.7 -33.4 96.8 44.4 2.7 9 9 A T H < S+ 0 0 64 -4,-1.8 4,-0.3 -3,-0.3 -1,-0.2 0.909 110.4 46.2 -66.2 -39.7 98.6 47.6 1.8 10 10 A R H >< S+ 0 0 100 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.770 105.6 59.7 -73.3 -26.4 95.4 49.6 2.7 11 11 A I H >< S+ 0 0 11 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.917 105.7 49.7 -66.0 -40.9 95.0 47.6 6.0 12 12 A L G >< S+ 0 0 5 -4,-1.7 3,-1.8 1,-0.2 -1,-0.2 0.535 85.6 89.4 -74.9 -8.1 98.5 48.9 7.0 13 13 A D G < S+ 0 0 95 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.622 72.7 71.5 -66.2 -12.2 97.5 52.5 6.2 14 14 A I G < S+ 0 0 108 -3,-1.0 2,-0.3 -4,-0.2 -1,-0.3 0.609 88.3 81.0 -78.2 -10.6 96.2 52.9 9.7 15 15 A Y S < S- 0 0 39 -3,-1.8 -3,-0.0 -4,-0.1 6,-0.0 -0.745 86.1-116.7 -99.6 144.1 99.8 52.9 11.0 16 16 A T > - 0 0 72 -2,-0.3 4,-3.5 1,-0.1 5,-0.2 -0.354 40.4-101.5 -68.2 157.1 102.3 55.7 10.9 17 17 A P H > S+ 0 0 118 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.856 125.8 50.1 -49.1 -38.8 105.3 55.1 8.6 18 18 A E H > S+ 0 0 161 2,-0.2 4,-0.9 1,-0.2 -3,-0.0 0.914 115.1 41.8 -68.2 -43.2 107.4 54.3 11.7 19 19 A Q H >> S+ 0 0 95 -3,-0.2 4,-1.9 2,-0.2 3,-0.6 0.912 109.0 60.0 -69.3 -44.6 104.8 51.8 13.1 20 20 A R H 3X S+ 0 0 56 -4,-3.5 4,-2.3 1,-0.3 3,-0.2 0.910 99.5 55.5 -49.4 -51.9 104.1 50.3 9.7 21 21 A A H 3X S+ 0 0 44 -4,-1.7 4,-0.6 1,-0.2 -1,-0.3 0.861 109.2 48.6 -52.1 -39.2 107.7 49.1 9.2 22 22 A G H XX S+ 0 0 48 -4,-0.9 4,-0.9 -3,-0.6 3,-0.5 0.872 108.5 52.0 -71.3 -37.7 107.4 47.3 12.5 23 23 A I H >< S+ 0 0 35 -4,-1.9 3,-1.0 -3,-0.2 6,-0.4 0.934 104.2 56.7 -63.8 -47.2 104.1 45.5 11.8 24 24 A E H 3< S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.695 109.4 46.4 -59.7 -21.0 105.3 44.2 8.4 25 25 A K H << S+ 0 0 154 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.641 91.4 105.2 -95.9 -16.9 108.2 42.4 10.1 26 26 A S S S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 108.8 58.1 -68.7 -43.2 105.3 37.2 13.1 28 28 A D H > S+ 0 0 46 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.933 109.2 43.8 -53.5 -50.2 101.6 38.0 13.4 29 29 A W H > S+ 0 0 15 -6,-0.4 4,-3.8 1,-0.2 5,-0.3 0.881 109.8 56.1 -64.1 -40.0 101.6 39.9 10.1 30 30 A R H X S+ 0 0 154 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.925 113.1 42.0 -56.5 -46.2 103.7 37.3 8.4 31 31 A Q H X S+ 0 0 15 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.950 116.9 46.9 -66.1 -50.6 101.1 34.7 9.3 32 32 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.924 112.5 50.3 -56.8 -48.1 98.2 36.9 8.5 33 33 A S H X S+ 0 0 24 -4,-3.8 4,-2.2 1,-0.2 -1,-0.2 0.904 110.6 49.5 -58.1 -45.3 99.7 37.9 5.2 34 34 A R H X S+ 0 0 97 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.927 113.1 46.0 -60.9 -47.0 100.4 34.3 4.2 35 35 A R H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.4 0.858 108.4 57.2 -66.8 -35.0 96.8 33.3 5.0 36 36 A M H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 -2,-0.2 0.972 108.7 45.7 -58.6 -53.9 95.4 36.3 3.2 37 37 A D H < S+ 0 0 63 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.891 118.7 42.9 -55.7 -43.1 97.2 35.2 -0.0 38 38 A T H < S+ 0 0 81 -4,-2.0 4,-0.2 -5,-0.2 -2,-0.2 0.911 129.2 22.0 -71.9 -44.1 96.1 31.6 0.4 39 39 A H H X S+ 0 0 25 -4,-3.3 4,-1.8 -5,-0.1 3,-0.3 0.596 100.0 81.7-105.3 -12.6 92.5 32.1 1.4 40 40 A F H X S+ 0 0 5 -4,-3.1 4,-3.0 -5,-0.4 5,-0.3 0.920 86.1 61.3 -61.4 -43.2 91.4 35.6 0.2 41 41 A P H > S+ 0 0 75 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.894 106.8 46.7 -50.2 -41.5 90.7 34.4 -3.3 42 42 A K H > S+ 0 0 53 -3,-0.3 4,-3.0 -4,-0.2 5,-0.3 0.947 111.7 50.5 -65.0 -48.0 88.0 32.1 -1.9 43 43 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.913 113.9 44.8 -55.5 -46.5 86.5 34.8 0.3 44 44 A M H X S+ 0 0 14 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.913 113.7 49.8 -65.0 -45.0 86.3 37.2 -2.7 45 45 A N H X S+ 0 0 100 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.926 112.7 46.0 -61.0 -47.3 84.9 34.6 -5.0 46 46 A E H X S+ 0 0 22 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.945 115.0 46.5 -63.1 -48.2 82.2 33.5 -2.6 47 47 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.3 5,-0.5 0.866 111.6 52.0 -63.2 -37.0 81.2 37.1 -1.7 48 48 A D H X S+ 0 0 56 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.878 104.6 56.0 -67.1 -36.3 81.2 38.1 -5.4 49 49 A S H < S+ 0 0 66 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.790 118.4 34.7 -66.3 -25.6 78.9 35.1 -6.3 50 50 A V H < S+ 0 0 18 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.899 131.1 25.3 -93.2 -50.6 76.4 36.4 -3.7 51 51 A Y H >< S- 0 0 16 -4,-3.1 3,-1.4 1,-0.2 -3,-0.2 0.658 81.4-177.4 -93.0 -17.4 76.6 40.2 -3.8 52 52 A G T 3< - 0 0 25 -4,-1.7 -1,-0.2 -5,-0.5 -2,-0.1 -0.288 68.8 -10.2 58.8-132.8 77.9 40.7 -7.4 53 53 A N T 3 S+ 0 0 164 4,-0.1 -1,-0.2 3,-0.0 -5,-0.1 0.084 87.1 153.8 -88.9 25.0 78.6 44.4 -8.3 54 54 A N X - 0 0 60 -3,-1.4 3,-1.4 1,-0.2 4,-0.5 -0.298 48.0-133.5 -54.6 131.2 76.9 45.7 -5.1 55 55 A E T 3 S+ 0 0 154 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.787 103.2 55.3 -60.4 -28.0 78.5 49.1 -4.4 56 56 A A T 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.594 84.9 84.9 -82.8 -10.6 78.9 48.2 -0.7 57 57 A L H <> S+ 0 0 12 -3,-1.4 4,-2.9 2,-0.2 5,-0.2 0.952 93.0 41.5 -56.7 -56.1 80.9 45.0 -1.4 58 58 A L H > S+ 0 0 71 -4,-0.5 4,-2.3 1,-0.2 5,-0.2 0.939 117.4 47.0 -59.0 -50.4 84.3 46.6 -1.6 59 59 A P H > S+ 0 0 59 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.884 115.4 47.0 -59.8 -38.4 83.8 49.0 1.3 60 60 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.927 110.4 52.3 -68.5 -44.9 82.4 46.2 3.5 61 61 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.898 110.1 47.2 -59.0 -44.6 85.3 43.8 2.5 62 62 A E H X S+ 0 0 40 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.865 112.8 50.2 -67.2 -35.2 88.0 46.3 3.5 63 63 A M H X S+ 0 0 89 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.938 113.2 46.2 -66.7 -46.3 86.2 47.1 6.7 64 64 A L H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.908 112.1 50.0 -62.5 -43.9 86.0 43.4 7.5 65 65 A L H X S+ 0 0 3 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.860 108.4 52.5 -64.9 -35.7 89.6 42.7 6.6 66 66 A A H X S+ 0 0 38 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.918 112.4 46.7 -64.1 -42.0 90.8 45.6 8.8 67 67 A Q H X S+ 0 0 56 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.903 107.9 56.4 -63.3 -45.0 88.8 44.0 11.6 68 68 A A H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.893 107.7 48.2 -55.7 -43.7 90.2 40.5 10.8 69 69 A W H X S+ 0 0 3 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.955 112.0 47.4 -64.0 -50.3 93.8 41.8 11.2 70 70 A Q H X S+ 0 0 65 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.899 113.3 50.3 -57.5 -40.9 93.1 43.5 14.5 71 71 A S H X S+ 0 0 11 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.930 113.4 43.8 -64.5 -45.4 91.3 40.4 15.7 72 72 A Y H < S+ 0 0 2 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.889 112.0 54.0 -68.0 -36.6 94.2 38.1 14.7 73 73 A S H < S+ 0 0 45 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.931 113.7 41.9 -61.3 -44.1 96.7 40.6 16.2 74 74 A Q H < S+ 0 0 137 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.723 87.9 119.5 -74.3 -23.9 94.9 40.5 19.5 75 75 A R S < S- 0 0 7 -4,-1.6 5,-0.1 -5,-0.2 202,-0.1 -0.163 75.1-103.7 -49.0 128.7 94.4 36.7 19.4 76 76 A N >> - 0 0 92 201,-0.3 4,-1.8 1,-0.1 3,-0.7 -0.219 22.4-122.5 -57.8 140.7 96.0 35.0 22.3 77 77 A S H 3> S+ 0 0 81 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.840 110.9 56.0 -53.4 -40.1 99.3 33.2 21.6 78 78 A S H 3> S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.866 107.9 49.3 -63.1 -35.2 98.0 29.9 22.9 79 79 A L H <> S+ 0 0 13 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.854 106.6 55.8 -71.7 -34.5 95.1 30.1 20.4 80 80 A K H X S+ 0 0 23 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.800 103.6 54.6 -68.1 -27.6 97.6 30.9 17.6 81 81 A D H X S+ 0 0 95 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.890 108.5 48.6 -71.3 -37.1 99.5 27.7 18.4 82 82 A I H X S+ 0 0 38 -4,-1.3 4,-2.7 2,-0.2 5,-0.4 0.893 106.6 57.5 -67.3 -38.1 96.2 25.8 18.0 83 83 A D H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.945 110.2 43.7 -54.9 -50.2 95.7 27.7 14.7 84 84 A I H X S+ 0 0 62 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.900 112.0 53.3 -62.4 -43.7 99.0 26.3 13.5 85 85 A A H >< S+ 0 0 58 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.957 115.6 37.5 -59.1 -53.2 98.3 22.8 14.8 86 86 A R H >< S+ 0 0 27 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.830 108.1 64.0 -70.1 -30.9 94.9 22.4 13.0 87 87 A E H 3< S+ 0 0 50 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.821 114.0 35.7 -60.7 -28.4 96.1 24.2 10.0 88 88 A N T << S+ 0 0 124 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.313 121.8 47.1-108.2 8.2 98.5 21.3 9.6 89 89 A N X + 0 0 85 -3,-1.1 3,-1.6 -4,-0.1 -1,-0.2 -0.474 58.7 162.3-146.0 66.3 96.2 18.6 10.9 90 90 A P G > S+ 0 0 35 0, 0.0 3,-0.6 0, 0.0 -4,-0.1 0.732 73.7 61.7 -59.7 -24.0 92.8 19.1 9.1 91 91 A D G >> + 0 0 59 1,-0.2 3,-1.8 2,-0.1 4,-0.5 0.233 64.0 109.1 -90.4 15.3 91.7 15.6 10.0 92 92 A W G X4 S+ 0 0 19 -3,-1.6 3,-1.1 1,-0.3 -1,-0.2 0.863 76.7 60.2 -57.4 -31.6 91.9 16.1 13.8 93 93 A I G <4 S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.713 99.7 55.8 -66.7 -22.4 88.1 15.9 13.6 94 94 A L G <4 S+ 0 0 24 -3,-1.8 459,-1.8 290,-0.1 -1,-0.2 0.518 79.3 119.9 -90.2 -5.9 88.3 12.4 12.2 95 95 A S X< - 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