==== 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 LYASE 19-APR-07 2YW4 . COMPND 2 MOLECULE: 4-HYDROXY-2-OXOGLUTARATE ALDOLASE/2-DEYDRO-3- . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.KAWANO,K.HASHIMOTO,N.KAMIYA,RIKEN STRUCTURAL GENOMICS/PROT . 200 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 15.0 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 . 15 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.5 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 1 1 0 0 2 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 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 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 . 1 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 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 4 A M 0 0 241 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.1 -71.5 45.6 92.5 2 5 A D > - 0 0 48 1,-0.1 3,-0.9 2,-0.0 4,-0.2 -0.755 360.0-160.3-107.4 127.1 -69.4 48.3 94.0 3 6 A P T 3 S+ 0 0 96 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.837 103.4 50.0 -77.4 -26.5 -65.6 49.0 93.0 4 7 A L T >> S+ 0 0 7 1,-0.2 4,-2.3 2,-0.1 3,-0.6 0.165 76.6 118.0 -87.7 17.7 -65.3 51.0 96.3 5 8 A A H <> S+ 0 0 35 -3,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.899 73.7 52.1 -51.9 -46.6 -66.9 48.0 98.3 6 9 A V H 3> S+ 0 0 60 -3,-0.4 4,-3.2 1,-0.2 31,-0.4 0.847 111.0 48.7 -56.0 -35.3 -63.7 47.5 100.4 7 10 A L H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 5,-0.4 0.918 109.2 50.5 -72.7 -42.6 -63.8 51.2 101.3 8 11 A A H < S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.880 111.1 51.9 -65.6 -35.4 -67.5 51.1 102.2 9 12 A E H < S+ 0 0 147 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.952 110.9 43.5 -74.2 -51.2 -66.7 48.1 104.4 10 13 A S H < S- 0 0 1 -4,-3.2 -1,-0.2 1,-0.1 -2,-0.2 0.922 81.0-159.3 -55.8 -38.1 -63.8 49.6 106.4 11 14 A R S < S+ 0 0 55 -4,-2.4 163,-1.9 161,-0.4 2,-0.4 0.575 70.8 87.8 64.9 3.0 -65.7 52.9 106.8 12 15 A L E -a 174 0A 0 -5,-0.4 26,-0.3 161,-0.3 163,-0.2 -1.000 55.0-177.8-146.0 133.3 -62.1 53.9 107.4 13 16 A L E -a 175 0A 0 161,-2.3 163,-1.7 -2,-0.4 26,-0.2 -0.850 14.1-154.6-137.0 92.3 -59.3 55.1 105.1 14 17 A P E -a 176 0A 0 0, 0.0 26,-2.7 0, 0.0 2,-0.5 -0.420 10.0-144.2 -68.0 149.0 -55.9 55.8 106.5 15 18 A L E -b 40 0B 8 161,-2.6 2,-0.5 24,-0.2 26,-0.2 -0.919 12.6-161.4-110.0 142.7 -53.7 58.2 104.6 16 19 A L E -b 41 0B 16 24,-3.8 26,-2.4 -2,-0.5 2,-0.6 -0.953 13.8-165.8-130.6 122.6 -50.0 57.7 104.4 17 20 A T - 0 0 25 -2,-0.5 2,-0.4 24,-0.2 26,-0.1 -0.908 30.7-133.1 -94.5 113.8 -47.2 60.2 103.6 18 21 A V + 0 0 4 -2,-0.6 29,-0.2 24,-0.4 30,-0.1 -0.605 32.5 172.7 -79.7 123.9 -44.1 58.1 102.9 19 22 A R - 0 0 179 -2,-0.4 -1,-0.2 28,-0.1 29,-0.0 0.367 56.2-112.9 -96.7 -7.8 -40.9 59.3 104.6 20 23 A G S S+ 0 0 41 27,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.285 98.5 79.1 102.0 -10.4 -39.2 56.1 103.3 21 24 A G + 0 0 76 2,-0.0 -3,-0.0 3,-0.0 -1,-0.0 0.524 64.3 126.5 -98.7 -9.3 -38.4 54.0 106.5 22 25 A E - 0 0 66 1,-0.1 2,-1.2 2,-0.0 3,-0.2 -0.054 66.2-124.4 -48.7 143.6 -41.9 52.5 107.0 23 26 A D > + 0 0 89 1,-0.2 4,-3.5 2,-0.1 5,-0.1 -0.773 38.6 173.0 -91.9 88.7 -42.7 48.9 107.3 24 27 A L H > S+ 0 0 28 -2,-1.2 4,-3.6 2,-0.2 -1,-0.2 0.886 77.2 45.6 -65.3 -51.8 -45.4 48.8 104.5 25 28 A L H > S+ 0 0 116 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.930 114.9 50.8 -61.3 -43.0 -45.9 45.1 104.4 26 29 A G H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.983 113.4 44.3 -54.1 -65.5 -46.1 45.2 108.2 27 30 A L H X S+ 0 0 19 -4,-3.5 4,-2.7 2,-0.2 5,-0.2 0.879 109.7 57.7 -37.7 -53.3 -48.7 48.0 108.1 28 31 A A H X S+ 0 0 3 -4,-3.6 4,-2.1 1,-0.2 5,-0.2 0.962 108.2 45.1 -49.2 -61.4 -50.5 46.2 105.3 29 32 A R H X S+ 0 0 168 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.829 112.0 51.0 -45.3 -49.7 -51.0 43.1 107.5 30 33 A V H X S+ 0 0 7 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.992 110.9 50.0 -60.8 -53.8 -52.1 45.0 110.6 31 34 A L H <>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 -1,-0.2 0.832 113.9 43.3 -45.0 -46.8 -54.7 46.9 108.5 32 35 A E H ><5S+ 0 0 77 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.2 0.850 111.0 56.0 -82.3 -25.5 -56.1 43.8 107.0 33 36 A E H 3<5S+ 0 0 96 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.847 106.2 53.2 -64.0 -33.3 -56.1 42.0 110.4 34 37 A E T 3<5S- 0 0 29 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.269 122.0 -99.4 -90.4 10.4 -58.1 44.8 111.8 35 38 A G T < 5S+ 0 0 41 -3,-1.2 2,-0.6 1,-0.1 -3,-0.2 0.587 91.5 113.2 86.5 12.4 -61.1 44.9 109.2 36 39 A V < + 0 0 1 -5,-2.1 -2,-0.2 -6,-0.2 -1,-0.1 -0.807 33.2 167.6-121.7 83.9 -59.6 47.8 107.2 37 40 A G + 0 0 16 -2,-0.6 24,-3.3 -31,-0.4 2,-0.3 0.013 50.6 74.8 -97.5 35.1 -58.6 46.8 103.7 38 41 A A E + c 0 61B 0 -26,-0.3 2,-0.3 22,-0.3 24,-0.2 -0.969 51.4 179.9-135.1 150.4 -58.0 50.2 101.9 39 42 A L E - c 0 62B 0 22,-2.1 24,-3.1 -2,-0.3 2,-0.5 -0.958 18.3-140.9-156.6 146.9 -55.2 52.6 102.2 40 43 A E E -bc 15 63B 3 -26,-2.7 -24,-3.8 -2,-0.3 2,-0.6 -0.873 8.1-164.8-117.6 120.6 -54.2 55.9 100.7 41 44 A I E -bc 16 64B 0 22,-2.7 24,-2.5 -2,-0.5 2,-0.2 -0.891 20.8-138.7-102.5 121.1 -50.7 56.9 99.7 42 45 A T E - c 0 65B 1 -26,-2.4 -24,-0.4 -2,-0.6 3,-0.3 -0.568 4.0-141.2 -81.8 146.3 -50.3 60.5 99.1 43 46 A L + 0 0 29 22,-1.4 -1,-0.1 -2,-0.2 23,-0.1 -0.153 69.6 115.5 -93.6 32.9 -48.2 61.7 96.2 44 47 A R S S+ 0 0 153 1,-0.1 2,-0.3 23,-0.0 -1,-0.2 0.535 83.1 36.4 -74.2 -3.3 -46.8 64.6 98.2 45 48 A T S >> S- 0 0 28 -3,-0.3 3,-2.8 1,-0.0 4,-0.5 -0.978 84.6-122.9-144.5 142.1 -43.3 62.8 97.8 46 49 A E H 3> S+ 0 0 151 -2,-0.3 4,-1.1 1,-0.3 3,-0.2 0.685 111.8 69.9 -55.8 -21.3 -42.0 60.7 94.8 47 50 A K H 3> S+ 0 0 93 -29,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.601 80.7 73.8 -75.6 -9.1 -41.6 58.0 97.4 48 51 A G H <> S+ 0 0 0 -3,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.967 97.2 48.5 -68.0 -48.4 -45.4 57.8 97.4 49 52 A L H X S+ 0 0 45 -4,-0.5 4,-2.4 -3,-0.2 -2,-0.2 0.897 108.5 51.8 -44.7 -54.7 -45.1 56.1 94.0 50 53 A E H X S+ 0 0 120 -4,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.869 109.4 53.3 -56.2 -37.2 -42.4 53.6 95.2 51 54 A A H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.910 105.1 50.8 -71.4 -39.1 -44.8 52.8 98.1 52 55 A L H X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.931 113.0 48.8 -55.4 -46.3 -47.7 52.0 95.7 53 56 A K H >< S+ 0 0 80 -4,-2.4 3,-1.2 1,-0.2 4,-0.2 0.967 111.2 49.3 -55.8 -53.5 -45.3 49.7 93.8 54 57 A A H 3< S+ 0 0 59 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.775 114.9 43.8 -57.2 -32.9 -44.2 48.1 97.0 55 58 A L H >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 5,-0.5 0.409 79.1 108.5 -96.1 -2.9 -47.8 47.4 98.2 56 59 A R T << S+ 0 0 121 -3,-1.2 3,-0.3 -4,-0.9 -1,-0.2 0.717 87.6 36.2 -38.8 -39.4 -49.2 46.2 94.8 57 60 A K T 3 S+ 0 0 189 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.426 88.4 101.9-101.5 3.7 -49.5 42.6 96.1 58 61 A S S < S- 0 0 17 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.1 0.699 89.5-121.7 -67.1 -18.8 -50.5 43.4 99.5 59 62 A G + 0 0 66 1,-0.4 2,-0.2 -4,-0.3 -1,-0.1 0.408 69.6 133.4 86.3 -4.5 -54.2 42.7 99.0 60 63 A L - 0 0 17 -5,-0.5 2,-0.9 -22,-0.0 -1,-0.4 -0.559 66.6-122.0 -72.1 140.0 -55.0 46.3 100.0 61 64 A L E -c 38 0B 29 -24,-3.3 -22,-2.1 -2,-0.2 2,-0.5 -0.816 44.2-152.1 -75.5 108.4 -57.5 48.5 98.0 62 65 A L E -c 39 0B 4 -2,-0.9 20,-2.5 18,-0.3 21,-0.9 -0.795 15.0-165.4 -98.1 130.9 -54.8 51.2 97.3 63 66 A G E -cd 40 83B 0 -24,-3.1 -22,-2.7 -2,-0.5 2,-0.6 -0.838 14.1-139.5-107.2 150.8 -55.8 54.8 96.7 64 67 A A E -cd 41 84B 0 19,-2.5 21,-3.0 -2,-0.3 3,-0.4 -0.946 24.3-163.5-108.0 126.9 -53.6 57.6 95.4 65 68 A G E +c 42 0B 0 -24,-2.5 -22,-1.4 -2,-0.6 21,-0.2 -0.513 63.5 27.9-108.5 171.7 -54.1 60.9 97.2 66 69 A T S S+ 0 0 30 1,-0.2 2,-1.0 -24,-0.2 20,-0.3 0.805 70.8 168.4 44.1 38.0 -53.1 64.5 96.2 67 70 A V + 0 0 0 18,-3.2 -1,-0.2 -3,-0.4 26,-0.1 -0.690 3.8 172.3 -79.2 107.2 -53.4 63.5 92.5 68 71 A R + 0 0 166 -2,-1.0 -1,-0.1 -3,-0.1 3,-0.1 0.220 53.7 24.6-106.2 13.4 -53.2 67.0 90.9 69 72 A S S > S- 0 0 37 1,-0.1 4,-2.6 21,-0.1 5,-0.1 -0.941 79.9-105.5-169.2 152.7 -53.0 66.4 87.0 70 73 A P H > S+ 0 0 56 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.912 120.8 51.9 -54.6 -40.6 -53.9 63.6 84.4 71 74 A K H > S+ 0 0 180 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.923 109.1 47.3 -65.7 -47.5 -50.2 62.7 84.2 72 75 A E H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 112.9 52.5 -62.4 -35.6 -49.8 62.3 87.9 73 76 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.943 109.1 47.0 -60.1 -50.2 -53.0 60.3 87.8 74 77 A E H X S+ 0 0 45 -4,-3.1 4,-2.5 2,-0.2 3,-0.5 0.953 110.5 53.1 -53.4 -53.5 -51.7 57.9 85.0 75 78 A A H X S+ 0 0 41 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.929 107.6 52.0 -49.9 -48.9 -48.4 57.5 86.9 76 79 A A H <>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 4,-0.4 0.851 109.2 49.9 -53.9 -45.2 -50.3 56.4 90.1 77 80 A L H ><5S+ 0 0 19 -4,-1.6 3,-1.4 -3,-0.5 -1,-0.2 0.906 109.2 50.0 -65.8 -43.0 -52.3 53.9 88.2 78 81 A E H 3<5S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.732 105.7 60.4 -69.4 -16.9 -49.2 52.3 86.7 79 82 A A T 3<5S- 0 0 2 -4,-1.3 -1,-0.3 -5,-0.3 -23,-0.2 0.696 132.5 -87.3 -82.0 -11.7 -47.8 52.2 90.2 80 83 A G T < 5S+ 0 0 22 -3,-1.4 -18,-0.3 -4,-0.4 -3,-0.2 0.401 75.0 150.4 121.2 2.9 -50.6 49.9 91.4 81 84 A A < - 0 0 10 -5,-2.1 -1,-0.3 -6,-0.2 -18,-0.2 -0.540 27.3-171.9 -75.8 141.7 -53.3 52.4 92.4 82 85 A A S S+ 0 0 43 -20,-2.5 2,-0.3 1,-0.2 -19,-0.2 0.457 71.8 21.8-104.9 -14.5 -56.9 51.2 92.1 83 86 A F E S-d 63 0B 0 -21,-0.9 -19,-2.5 19,-0.1 2,-0.4 -0.974 70.2-135.1-153.4 154.2 -58.6 54.7 92.9 84 87 A L E -de 64 104B 0 19,-2.1 21,-3.2 -2,-0.3 2,-0.4 -0.937 14.8-175.4-120.5 145.8 -57.6 58.3 92.7 85 88 A V E + e 0 105B 0 -21,-3.0 -18,-3.2 -2,-0.4 3,-0.0 -0.972 2.9 177.7-136.0 143.1 -58.1 61.2 95.1 86 89 A S E - e 0 106B 0 19,-1.2 21,-1.2 -2,-0.4 40,-0.2 -0.974 38.8-117.6-141.4 154.5 -57.3 64.9 94.7 87 90 A P S S+ 0 0 47 0, 0.0 2,-0.2 0, 0.0 41,-0.2 0.810 98.4 17.2 -64.1 -31.5 -58.0 67.9 97.2 88 91 A G S S- 0 0 34 18,-0.1 19,-0.5 -3,-0.0 2,-0.5 -0.691 101.7 -76.3-132.9 171.6 -60.4 69.7 94.7 89 92 A L - 0 0 29 17,-0.2 2,-0.6 -2,-0.2 19,-0.0 -0.676 39.6-173.1 -75.3 120.0 -62.2 68.6 91.6 90 93 A L > - 0 0 64 -2,-0.5 4,-1.9 1,-0.1 5,-0.1 -0.960 9.8-163.9-112.8 107.9 -60.0 68.3 88.4 91 94 A E H > S+ 0 0 97 -2,-0.6 4,-2.0 2,-0.2 -1,-0.1 0.859 92.0 54.2 -52.8 -40.1 -62.2 67.6 85.3 92 95 A E H > S+ 0 0 121 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 107.0 49.1 -69.6 -38.0 -59.1 66.5 83.4 93 96 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 110.1 53.2 -62.7 -37.4 -58.2 63.9 86.1 94 97 A A H X S+ 0 0 13 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.872 107.0 50.9 -67.8 -35.6 -61.9 62.8 85.8 95 98 A A H X S+ 0 0 48 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.903 111.1 48.4 -62.3 -46.5 -61.5 62.3 82.1 96 99 A L H X S+ 0 0 28 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.902 114.1 48.2 -58.1 -37.7 -58.3 60.2 82.7 97 100 A A H X>S+ 0 0 2 -4,-2.2 5,-2.3 2,-0.2 4,-0.6 0.901 111.8 45.8 -74.6 -45.0 -60.3 58.2 85.3 98 101 A Q H ><5S+ 0 0 162 -4,-3.1 3,-1.4 1,-0.2 -1,-0.2 0.962 111.0 55.9 -62.4 -41.0 -63.3 57.5 83.2 99 102 A A H 3<5S+ 0 0 75 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.791 115.1 37.4 -52.1 -37.6 -60.9 56.6 80.3 100 103 A R H 3<5S- 0 0 115 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.404 110.6-122.9-100.2 3.2 -59.2 54.0 82.5 101 104 A G T <<5 + 0 0 66 -3,-1.4 -3,-0.2 -4,-0.6 -2,-0.1 0.923 65.1 131.8 57.1 47.6 -62.4 52.9 84.2 102 105 A V < - 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