==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 02-DEC-05 2D8E . COMPND 2 MOLECULE: PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE/CHORI . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR B.BAGAUTDINOV,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMI . 88 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7478.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A E > 0 0 156 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-159.6 20.2 -25.4 3.8 2 4 A R H > + 0 0 216 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.912 360.0 47.7 -64.2 -42.5 20.0 -23.4 0.6 3 5 A I H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 111.6 50.9 -65.2 -41.4 16.7 -21.8 1.7 4 6 A Q H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.904 111.5 48.0 -60.1 -43.0 18.2 -21.0 5.1 5 7 A A H X S+ 0 0 56 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.932 112.5 48.2 -64.6 -46.5 21.2 -19.4 3.4 6 8 A L H X S+ 0 0 114 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.872 108.3 54.1 -63.3 -38.7 19.1 -17.4 1.0 7 9 A R H X S+ 0 0 172 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.870 106.2 53.1 -64.9 -34.3 16.8 -16.2 3.8 8 10 A K H X S+ 0 0 124 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.872 108.1 50.3 -67.5 -34.0 19.9 -14.9 5.6 9 11 A E H X S+ 0 0 96 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.889 109.4 51.3 -69.3 -38.0 20.9 -13.0 2.5 10 12 A V H X S+ 0 0 77 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.892 107.1 54.0 -65.1 -37.6 17.4 -11.6 2.4 11 13 A D H X S+ 0 0 63 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.935 108.8 48.2 -61.2 -45.1 17.9 -10.5 6.1 12 14 A R H X S+ 0 0 150 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.921 113.9 46.7 -60.8 -44.0 21.0 -8.7 5.1 13 15 A V H X S+ 0 0 71 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.905 109.6 54.1 -65.7 -41.4 19.2 -7.0 2.2 14 16 A N H X S+ 0 0 91 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.923 109.5 47.9 -57.5 -45.8 16.3 -6.1 4.4 15 17 A R H X S+ 0 0 174 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.852 109.8 52.1 -65.1 -35.2 18.6 -4.4 6.9 16 18 A E H X S+ 0 0 121 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.922 110.1 49.3 -67.1 -41.8 20.4 -2.5 4.1 17 19 A I H X S+ 0 0 82 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.902 108.2 53.5 -63.1 -40.2 17.0 -1.3 2.9 18 20 A L H X S+ 0 0 107 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.918 109.2 49.5 -61.0 -41.5 16.0 -0.2 6.4 19 21 A R H X S+ 0 0 186 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.923 112.8 45.9 -63.2 -44.5 19.3 1.8 6.6 20 22 A L H X S+ 0 0 124 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.881 110.7 52.7 -66.4 -39.3 18.6 3.5 3.3 21 23 A L H X S+ 0 0 76 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.904 110.8 48.1 -63.0 -39.4 15.0 4.2 4.1 22 24 A S H X S+ 0 0 66 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.897 111.2 49.8 -67.0 -40.3 16.2 5.9 7.3 23 25 A E H X S+ 0 0 86 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.938 111.8 49.6 -61.4 -45.8 18.8 7.9 5.4 24 26 A R H X S+ 0 0 58 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.882 108.0 53.7 -60.9 -40.4 16.0 8.9 3.0 25 27 A G H X S+ 0 0 12 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.904 107.2 50.4 -62.3 -41.3 13.8 9.9 5.9 26 28 A R H X S+ 0 0 151 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.896 111.4 49.8 -63.0 -40.0 16.5 12.2 7.3 27 29 A L H X S+ 0 0 106 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.917 110.3 47.5 -66.1 -45.9 16.9 13.8 3.9 28 30 A V H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.826 107.9 56.9 -67.4 -30.6 13.2 14.5 3.4 29 31 A Q H X S+ 0 0 22 -4,-1.9 59,-2.1 -5,-0.2 4,-1.9 0.900 108.3 47.9 -65.5 -38.1 12.9 15.9 6.9 30 32 A E H X S+ 0 0 72 -4,-1.5 4,-2.0 57,-0.2 -2,-0.2 0.921 111.1 49.0 -67.7 -44.2 15.6 18.4 6.0 31 33 A I H X S+ 0 0 77 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.914 109.8 55.1 -59.9 -41.4 13.9 19.3 2.7 32 34 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.893 106.3 48.0 -59.9 -43.4 10.7 19.7 4.6 33 35 A R H X S+ 0 0 99 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.890 112.2 50.5 -66.9 -37.3 12.1 22.2 7.1 34 36 A L H X S+ 0 0 78 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.922 110.0 49.8 -65.8 -42.8 13.6 24.2 4.2 35 37 A Q H X>S+ 0 0 30 -4,-2.7 5,-3.1 2,-0.2 4,-0.6 0.900 111.5 49.3 -62.4 -40.0 10.3 24.2 2.4 36 38 A T H ><5S+ 0 0 88 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.960 112.2 47.7 -61.9 -50.9 8.6 25.4 5.5 37 39 A E H 3<5S+ 0 0 122 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.843 117.7 42.0 -58.4 -36.7 11.2 28.2 6.0 38 40 A L H 3<5S- 0 0 116 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.408 111.5-116.0 -93.2 0.4 10.9 29.3 2.4 39 41 A G T <<5 + 0 0 68 -3,-1.1 -3,-0.2 -4,-0.6 -4,-0.1 0.862 65.4 146.0 67.7 35.5 7.1 29.0 2.2 40 42 A L < - 0 0 88 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.762 53.0-101.3-103.8 150.1 7.2 26.3 -0.4 41 43 A P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.317 16.5-153.1 -69.4 155.4 4.7 23.4 -0.7 42 44 A H S S+ 0 0 29 1,-0.1 2,-0.7 -7,-0.0 41,-0.1 0.745 80.1 75.4 -93.9 -34.4 5.6 20.0 0.7 43 45 A Y + 0 0 138 40,-0.1 -1,-0.1 1,-0.0 0, 0.0 -0.733 58.2 168.4 -84.8 113.9 3.3 18.1 -1.7 44 46 A D > + 0 0 60 -2,-0.7 4,-1.8 1,-0.1 3,-0.3 -0.806 16.5 177.2-132.7 91.6 4.9 18.0 -5.2 45 47 A P H > S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.837 85.6 59.3 -59.6 -34.5 3.3 15.6 -7.7 46 48 A K H > S+ 0 0 156 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.907 106.0 47.0 -61.3 -44.0 5.7 16.9 -10.4 47 49 A R H > S+ 0 0 102 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.880 110.6 52.1 -66.5 -39.7 8.7 15.7 -8.2 48 50 A E H X S+ 0 0 35 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.917 109.8 49.1 -63.8 -41.9 7.1 12.3 -7.6 49 51 A E H X S+ 0 0 132 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.889 108.5 54.2 -64.0 -39.3 6.6 11.8 -11.3 50 52 A E H X S+ 0 0 95 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.900 110.3 45.6 -62.0 -42.9 10.2 12.8 -12.0 51 53 A M H X S+ 0 0 11 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.934 112.0 50.3 -68.1 -44.9 11.5 10.2 -9.5 52 54 A L H X S+ 0 0 19 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.832 105.9 61.3 -61.9 -29.8 9.2 7.4 -10.8 53 55 A A H X S+ 0 0 54 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.954 110.5 34.8 -63.2 -52.6 10.4 8.3 -14.3 54 56 A Y H X S+ 0 0 111 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.825 117.0 55.4 -75.6 -26.2 14.1 7.5 -13.8 55 57 A L H X S+ 0 0 33 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.906 111.4 42.6 -71.3 -40.6 13.3 4.6 -11.4 56 58 A T H < S+ 0 0 36 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.853 115.9 50.5 -73.3 -31.7 11.1 2.8 -14.0 57 59 A A H < S+ 0 0 84 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.901 116.9 39.1 -70.6 -40.0 13.6 3.6 -16.7 58 60 A E H < S+ 0 0 146 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.566 83.1 128.7 -86.4 -10.1 16.6 2.3 -14.7 59 61 A N < - 0 0 33 -4,-1.0 6,-0.1 1,-0.2 -3,-0.1 -0.255 37.6-171.5 -51.4 117.6 14.6 -0.7 -13.3 60 62 A P - 0 0 124 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.476 39.3-151.3 -91.3 -3.9 16.8 -3.8 -14.0 61 63 A G S S+ 0 0 33 2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.210 80.3 147.1 84.7 178.0 14.2 -6.3 -12.9 62 64 A P S S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.995 95.0 68.8 -70.3 -13.4 13.1 -8.9 -11.8 63 65 A F S S- 0 0 115 1,-0.1 -2,-0.2 2,-0.1 2,-0.1 -0.440 90.6-118.7 -68.4 140.1 10.3 -6.6 -10.5 64 66 A P >> - 0 0 62 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.402 24.7-109.8 -74.2 158.0 8.1 -5.1 -13.2 65 67 A D H 3> S+ 0 0 68 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.878 119.6 60.2 -54.3 -39.2 8.0 -1.3 -13.6 66 68 A E H 3> S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.865 107.0 44.8 -57.2 -39.0 4.5 -1.4 -12.3 67 69 A T H <> S+ 0 0 52 -3,-0.8 4,-2.7 2,-0.2 5,-0.2 0.907 112.5 50.0 -73.5 -42.7 5.7 -2.9 -9.0 68 70 A I H X S+ 0 0 23 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.923 110.4 52.3 -60.6 -42.9 8.6 -0.5 -8.7 69 71 A R H X S+ 0 0 85 -4,-3.1 4,-1.8 -5,-0.2 -1,-0.2 0.933 112.4 44.4 -58.4 -47.3 6.2 2.3 -9.3 70 72 A K H X S+ 0 0 106 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.893 111.7 51.5 -66.3 -42.2 3.9 1.2 -6.6 71 73 A L H X S+ 0 0 84 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.926 112.5 45.6 -63.0 -44.5 6.6 0.4 -4.0 72 74 A F H X S+ 0 0 57 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.850 107.3 57.6 -69.8 -30.8 8.1 3.8 -4.4 73 75 A K H X S+ 0 0 65 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.888 106.8 50.4 -64.0 -35.3 4.7 5.5 -4.3 74 76 A E H X S+ 0 0 108 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.888 110.0 49.7 -67.3 -39.3 4.3 3.9 -0.9 75 77 A I H X S+ 0 0 40 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.899 110.1 50.6 -65.8 -40.5 7.8 5.2 0.1 76 78 A F H X S+ 0 0 8 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.894 111.2 48.3 -65.3 -39.8 6.8 8.7 -1.0 77 79 A K H X S+ 0 0 111 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.898 108.7 53.0 -67.8 -39.0 3.6 8.6 1.0 78 80 A A H < S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.854 109.4 51.7 -62.7 -32.8 5.4 7.3 4.1 79 81 A S H >X S+ 0 0 11 -4,-1.6 4,-2.4 1,-0.2 3,-1.8 0.820 100.2 59.4 -73.4 -34.7 7.7 10.3 3.6 80 82 A L H 3X S+ 0 0 36 -4,-1.6 4,-1.9 1,-0.3 5,-0.4 0.901 92.6 68.5 -59.3 -39.4 4.9 12.9 3.4 81 83 A D H 3< S+ 0 0 116 -4,-1.5 5,-0.4 1,-0.2 -1,-0.3 0.483 112.3 33.5 -58.7 1.0 3.9 11.7 6.9 82 84 A L H <4 S+ 0 0 42 -3,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.661 108.5 59.7-121.6 -47.5 7.2 13.4 7.7 83 85 A E H < S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.691 115.8 41.0 -60.4 -18.0 7.5 16.4 5.4 84 86 A E S < S+ 0 0 109 -4,-1.9 -1,-0.3 -5,-0.2 -3,-0.1 0.703 133.1 16.6 -99.8 -28.3 4.2 17.6 7.0 85 87 A R S S+ 0 0 170 -5,-0.4 2,-0.4 1,-0.3 -3,-0.2 0.491 119.9 25.0-108.8-110.5 5.2 16.6 10.5 86 88 A Q S S+ 0 0 133 -5,-0.4 -1,-0.3 1,-0.0 2,-0.2 -0.468 73.2 157.7 -66.4 118.9 8.6 15.8 11.9 87 89 A D 0 0 38 -2,-0.4 -57,-0.2 1,-0.2 -58,-0.2 -0.672 360.0 360.0-128.5-177.6 11.3 17.5 9.9 88 90 A Q 0 0 86 -59,-2.1 -1,-0.2 -2,-0.2 -58,-0.1 0.054 360.0 360.0 -95.5 360.0 14.9 18.6 10.3