==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-APR-10 3AHI . COMPND 2 MOLECULE: XYLULOSE 5-PHOSPHATE/FRUCTOSE 6-PHOSPHATE PHOSPHO . SOURCE 2 ORGANISM_SCIENTIFIC: BIFIDOBACTERIUM BREVE; . AUTHOR R.SUZUKI,T.KATAYAMA,B.-J.KIM,T.WAKAGI,H.SHOUN,H.ASHIDA,K.YAM . 802 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 62 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 258 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 1 3 1 0 4 1 0 1 1 1 0 0 1 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 1 4 4 0 2 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 . 6 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 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 5 A V 0 0 165 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.3 46.4 76.1 28.2 2 6 A I - 0 0 23 362,-0.0 82,-0.6 363,-0.0 368,-0.0 -0.763 360.0 -42.2 -85.4 120.4 49.1 73.5 29.1 3 7 A G B S-A 83 0A 29 -2,-0.6 80,-0.2 80,-0.1 79,-0.1 -0.250 95.0 -53.8 66.7-151.6 52.3 75.0 30.8 4 8 A T > - 0 0 71 78,-2.1 3,-0.6 77,-0.4 -1,-0.1 -0.908 66.4-141.1-128.8 92.4 53.8 78.2 29.5 5 9 A P T 3 + 0 0 32 0, 0.0 78,-0.1 0, 0.0 165,-0.1 -0.316 69.4 2.7 -66.5 143.0 54.4 77.5 25.7 6 10 A W T 3 S+ 0 0 33 1,-0.2 2,-0.5 163,-0.2 269,-0.1 0.868 82.7 153.6 61.5 44.1 57.5 78.7 23.8 7 11 A Q < - 0 0 106 -3,-0.6 -1,-0.2 74,-0.3 2,-0.2 -0.923 35.7-138.7-107.0 136.5 59.4 80.3 26.8 8 12 A K - 0 0 81 -2,-0.5 256,-0.0 1,-0.1 260,-0.0 -0.513 8.9-135.5 -85.8 154.4 63.2 80.6 26.7 9 13 A L - 0 0 29 -2,-0.2 -1,-0.1 255,-0.1 255,-0.0 0.889 15.5-160.0 -76.8 -41.6 65.3 79.8 29.9 10 14 A D + 0 0 149 1,-0.2 -2,-0.0 0, 0.0 -1,-0.0 0.821 69.1 70.2 57.1 27.1 67.8 82.9 29.7 11 15 A R S S- 0 0 120 3,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.940 94.0 -90.9-154.5 159.4 70.2 80.9 32.1 12 16 A P - 0 0 113 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.295 52.8 -90.1 -60.8 155.8 72.4 77.8 31.6 13 17 A V - 0 0 26 244,-0.1 248,-0.1 1,-0.1 247,-0.0 -0.523 55.1-110.0 -61.3 133.2 71.0 74.4 32.4 14 18 A S > - 0 0 39 -2,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.321 12.9-121.4 -70.9 155.8 71.8 73.8 36.1 15 19 A E H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.818 113.7 61.1 -65.9 -27.0 74.3 71.2 37.1 16 20 A E H > S+ 0 0 134 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 103.7 49.1 -64.8 -37.5 71.6 69.4 39.1 17 21 A A H > S+ 0 0 5 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.907 110.0 51.0 -71.9 -41.5 69.6 68.9 35.9 18 22 A I H X S+ 0 0 4 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.897 110.5 48.8 -56.9 -46.8 72.7 67.5 34.2 19 23 A E H X S+ 0 0 77 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.892 112.6 48.2 -60.0 -39.5 73.2 65.1 37.1 20 24 A G H X S+ 0 0 3 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.931 109.2 53.6 -70.5 -42.2 69.5 63.9 37.0 21 25 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.880 107.8 50.0 -58.8 -39.8 69.7 63.4 33.2 22 26 A D H X S+ 0 0 19 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.890 112.2 47.9 -67.0 -37.7 72.7 61.1 33.6 23 27 A K H X S+ 0 0 37 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.900 111.6 50.6 -66.6 -40.3 70.8 59.1 36.3 24 28 A Y H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.928 111.6 47.5 -58.5 -48.9 67.7 58.9 34.1 25 29 A W H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.926 114.6 46.0 -64.8 -42.1 69.8 57.7 31.2 26 30 A R H X S+ 0 0 34 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.898 115.1 46.3 -65.2 -41.5 71.6 55.1 33.3 27 31 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.900 114.2 46.7 -72.3 -38.7 68.3 53.9 35.0 28 32 A T H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.853 113.9 48.9 -71.8 -36.2 66.3 53.6 31.7 29 33 A N H X S+ 0 0 1 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.957 113.6 47.3 -60.9 -52.7 69.3 51.8 30.0 30 34 A Y H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.927 115.3 44.5 -53.7 -50.6 69.5 49.5 33.0 31 35 A M H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.750 110.5 54.6 -70.2 -25.1 65.7 48.8 33.0 32 36 A S H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.914 110.7 45.5 -70.5 -43.4 65.6 48.4 29.2 33 37 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.930 111.8 53.7 -65.5 -41.4 68.3 45.7 29.5 34 38 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.929 107.2 51.3 -55.9 -46.5 66.3 44.2 32.5 35 39 A Q H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 115.2 42.2 -56.7 -41.3 63.1 44.1 30.3 36 40 A I H < S+ 0 0 1 -4,-1.9 22,-0.4 1,-0.1 -1,-0.2 0.901 129.3 20.4 -73.5 -40.4 64.9 42.3 27.6 37 41 A Y H < S+ 0 0 0 -4,-2.7 17,-3.1 -5,-0.2 2,-0.5 0.741 100.9 79.4-108.5 -28.1 67.0 39.8 29.6 38 42 A L B < +B 53 0B 0 -4,-2.4 15,-0.2 -5,-0.4 3,-0.1 -0.782 29.9 172.2-110.0 126.5 65.7 39.2 33.1 39 43 A R S S+ 0 0 50 13,-3.0 2,-0.3 -2,-0.5 14,-0.2 0.676 79.3 0.1 -94.6 -21.0 62.9 37.0 34.3 40 44 A S S S+ 0 0 26 12,-1.5 -1,-0.2 1,-0.2 4,-0.1 -0.967 106.8 47.3-155.7 171.4 63.7 37.5 38.0 41 45 A N > - 0 0 25 -2,-0.3 3,-1.8 -3,-0.1 -1,-0.2 0.958 53.7-177.2 61.3 62.1 66.1 39.3 40.4 42 46 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 0.725 78.8 48.2 -70.0 -19.0 66.0 42.8 38.8 43 47 A L T 3 S- 0 0 29 76,-0.0 -2,-0.1 300,-0.0 5,-0.1 0.258 110.4-117.9-103.8 10.8 68.5 44.3 41.3 44 48 A M < - 0 0 29 -3,-1.8 4,-0.2 1,-0.1 2,-0.1 0.885 46.4-178.7 58.2 41.9 71.0 41.5 40.9 45 49 A K - 0 0 100 2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.370 42.5 -52.1 -71.6 147.9 70.7 40.5 44.6 46 50 A E S S+ 0 0 181 1,-0.2 -1,-0.1 -2,-0.1 3,-0.0 -0.482 129.0 37.5 -64.1 129.5 72.9 37.6 45.7 47 51 A P S S+ 0 0 85 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.470 73.6 170.4 -87.5 137.9 72.8 35.0 44.1 48 52 A F + 0 0 21 -4,-0.2 2,-0.3 -5,-0.1 -2,-0.1 -0.936 22.2 155.7-108.9 117.7 72.4 36.5 40.6 49 53 A T > - 0 0 60 -2,-0.6 3,-2.8 -3,-0.0 4,-0.3 -0.859 61.4 -87.7-139.5 168.9 72.7 33.6 38.1 50 54 A R G > S+ 0 0 106 1,-0.3 3,-1.6 -2,-0.3 276,-0.0 0.729 117.0 74.0 -47.3 -23.0 71.9 32.5 34.7 51 55 A D G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -12,-0.0 4,-0.1 0.746 89.2 59.0 -70.9 -20.5 68.7 31.2 36.2 52 56 A D G < S+ 0 0 16 -3,-2.8 -13,-3.0 -13,-0.1 -12,-1.5 0.619 88.3 96.7 -79.8 -7.5 67.5 34.8 36.4 53 57 A V B < S-B 38 0B 0 -3,-1.6 -15,-0.3 -4,-0.3 -16,-0.1 -0.609 85.4-101.4 -88.3 135.2 67.8 35.2 32.6 54 58 A K - 0 0 8 -17,-3.1 3,-0.2 -2,-0.3 270,-0.2 -0.218 17.4-139.8 -50.4 141.4 64.8 34.7 30.2 55 59 A H S S+ 0 0 130 1,-0.3 2,-0.5 -4,-0.1 -1,-0.1 0.776 98.6 43.6 -79.1 -32.2 64.6 31.4 28.3 56 60 A R S S- 0 0 184 2,-0.1 2,-0.8 -19,-0.0 -1,-0.3 -0.861 79.0-160.5-114.3 96.2 63.5 33.3 25.2 57 61 A L + 0 0 33 -2,-0.5 2,-0.3 -3,-0.2 261,-0.1 -0.631 25.5 158.1 -81.4 106.2 65.6 36.4 24.6 58 62 A V + 0 0 55 -2,-0.8 2,-0.3 -22,-0.4 -2,-0.1 -0.974 18.4 79.3-128.5 146.0 63.7 38.7 22.2 59 63 A G - 0 0 6 -2,-0.3 2,-0.4 259,-0.0 35,-0.1 -0.921 67.7 -89.0 151.6-173.3 63.9 42.5 21.7 60 64 A H > + 0 0 48 33,-0.3 4,-0.5 -2,-0.3 257,-0.2 -0.847 34.7 168.9-138.7 95.4 65.8 45.3 20.0 61 65 A W T >4 + 0 0 0 256,-3.1 3,-0.9 -2,-0.4 255,-0.2 0.936 62.4 73.1 -72.3 -43.3 68.7 46.7 22.1 62 66 A G T 34 S+ 0 0 2 253,-1.6 235,-2.4 254,-0.4 4,-0.5 0.806 100.9 37.4 -54.2 -47.2 70.5 49.0 19.4 63 67 A T T >> S+ 0 0 5 253,-0.3 4,-1.8 1,-0.2 3,-0.9 0.859 103.0 78.4 -65.9 -34.0 68.1 51.9 19.1 64 68 A T H S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.840 112.3 52.7 -66.1 -22.7 70.1 53.7 24.6 66 70 A G H <> S+ 0 0 2 -3,-0.9 4,-2.4 -4,-0.5 -2,-0.2 0.912 110.4 46.5 -71.5 -42.8 69.8 56.6 21.9 67 71 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.885 110.8 52.5 -62.1 -37.9 66.2 57.0 22.6 68 72 A N H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.877 109.3 50.1 -67.1 -36.7 66.8 56.9 26.4 69 73 A F H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.957 113.0 45.3 -66.5 -49.7 69.4 59.7 26.0 70 74 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.900 111.2 53.2 -59.8 -41.6 67.0 61.9 24.0 71 75 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.841 105.3 54.3 -66.0 -34.5 64.2 61.2 26.4 72 76 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.964 114.5 41.9 -59.1 -46.4 66.3 62.3 29.4 73 77 A H H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.854 113.8 49.9 -74.2 -32.3 67.0 65.5 27.5 74 78 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.911 111.5 50.0 -71.5 -41.3 63.4 66.0 26.3 75 79 A N H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.947 110.6 50.0 -55.3 -45.6 62.1 65.4 29.9 76 80 A R H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.962 112.5 49.1 -59.7 -45.4 64.6 68.0 31.2 77 81 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 6,-0.3 0.919 109.3 49.5 -58.2 -50.5 63.4 70.4 28.5 78 82 A I H X>S+ 0 0 0 -4,-2.8 5,-1.4 1,-0.2 4,-0.9 0.886 114.1 46.6 -56.8 -44.5 59.7 70.0 29.2 79 83 A A H <5S+ 0 0 16 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.924 114.7 44.4 -66.2 -49.0 60.3 70.6 32.9 80 84 A D H <5S+ 0 0 42 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.863 126.7 30.5 -65.8 -37.6 62.6 73.7 32.6 81 85 A H H <5S- 0 0 4 -4,-2.5 -77,-0.4 -5,-0.2 -74,-0.3 0.448 98.6-130.5 -98.9 -4.9 60.4 75.4 29.9 82 86 A Q T <5 + 0 0 86 -4,-0.9 -78,-2.1 -5,-0.2 2,-0.6 0.950 45.2 179.3 48.9 54.7 57.0 73.9 31.1 83 87 A Q B < -A 3 0A 0 -5,-1.4 2,-0.3 -6,-0.3 -1,-0.2 -0.816 36.0-126.7-101.1 121.9 56.5 73.0 27.5 84 88 A N + 0 0 1 -82,-0.6 87,-2.6 -2,-0.6 2,-0.4 -0.440 50.2 173.2 -57.6 115.5 53.3 71.1 26.3 85 89 A T B +c 171 0C 0 -2,-0.3 2,-0.4 85,-0.2 87,-0.2 -0.991 33.2 178.3-141.8 135.2 55.1 68.2 24.5 86 90 A V - 0 0 3 85,-1.6 2,-0.3 -2,-0.4 60,-0.1 -0.987 22.6-154.3-127.1 131.1 54.3 64.8 22.7 87 91 A F - 0 0 1 -2,-0.4 2,-0.5 58,-0.3 60,-0.3 -0.748 6.6-138.1 -99.1 158.8 57.2 62.9 21.2 88 92 A I E -d 174 0C 0 85,-1.9 87,-2.8 -2,-0.3 2,-1.2 -0.979 4.6-152.6-114.6 128.6 57.1 60.4 18.3 89 93 A M E +d 175 0C 0 -2,-0.5 3,-0.2 59,-0.4 50,-0.1 -0.743 15.5 179.2 -95.9 87.8 59.2 57.3 18.6 90 94 A G S S+ 0 0 0 85,-2.6 2,-2.2 -2,-1.2 -1,-0.2 0.947 79.9 57.9 -53.5 -49.1 59.9 56.5 14.9 91 95 A P S > S+ 0 0 2 0, 0.0 3,-2.7 0, 0.0 -1,-0.3 -0.489 72.3 172.3 -81.6 76.1 61.9 53.4 15.9 92 96 A G G > + 0 0 0 -2,-2.2 47,-1.4 58,-0.9 3,-0.8 0.640 65.1 78.6 -69.7 -12.3 59.0 51.9 17.8 93 97 A H G 3 S+ 0 0 39 57,-0.5 -33,-0.3 1,-0.3 -1,-0.3 0.615 74.7 80.3 -68.2 -6.8 60.9 48.7 18.3 94 98 A G G X> + 0 0 0 -3,-2.7 3,-2.7 1,-0.2 4,-0.8 0.082 57.3 143.6 -86.8 37.1 62.6 50.7 21.0 95 99 A G H X> + 0 0 0 -3,-0.8 4,-2.4 42,-0.6 3,-0.9 0.774 59.1 63.3 -45.2 -42.8 59.6 49.9 23.2 96 100 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.793 97.9 56.0 -60.2 -22.8 61.6 49.5 26.4 97 101 A A H <> S+ 0 0 0 -3,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.831 111.3 45.2 -71.9 -30.3 62.7 53.2 26.2 98 102 A G H S+ 0 0 0 -5,-0.5 4,-2.5 1,-0.2 5,-0.3 0.815 71.9 63.1 -64.3 -30.3 52.3 57.2 34.8 108 112 A Y H > S+ 0 0 2 -6,-1.8 4,-2.9 2,-0.2 7,-0.2 0.959 108.7 39.8 -62.6 -47.6 53.1 53.5 34.3 109 113 A T H 4 S+ 0 0 28 -7,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.901 113.9 55.8 -66.3 -37.9 52.2 52.7 38.0 110 114 A E H < S+ 0 0 110 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.884 119.1 31.9 -61.5 -38.7 49.2 55.1 37.9 111 115 A Y H < S+ 0 0 74 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.799 130.3 37.3 -87.5 -30.3 47.8 53.3 34.8 112 116 A Y >< - 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