==== 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 07-FEB-07 2EB6 . COMPND 2 MOLECULE: 2-OXO-HEPT-3-ENE-1,7-DIOATE HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.IZUMI,D.REA,T.ADACHI,S.UNZAI,S.Y.PARK,D.I.ROPER,J.R.H.TAME . 1334 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 953 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 303 22.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 92 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 5 1 8 6 0 0 5 0 0 0 0 0 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 8 7 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 . 14 5 0 10 10 10 0 0 0 5 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 5 0 0 0 5 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 M 0 0 139 0, 0.0 33,-0.1 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 114.1 33.2 14.1 1.1 2 2 A F - 0 0 46 1,-0.1 5,-0.0 33,-0.1 2,-0.0 -0.206 360.0 -88.8 -68.0 163.1 36.1 11.9 0.0 3 3 A D >> - 0 0 93 1,-0.1 4,-1.5 4,-0.0 3,-0.7 -0.267 37.6-103.4 -72.7 161.5 35.8 9.4 -2.8 4 4 A K H 3> S+ 0 0 170 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.818 119.7 54.5 -52.3 -41.0 34.7 5.8 -2.5 5 5 A H H 3> S+ 0 0 130 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.849 105.3 53.1 -64.4 -37.8 38.3 4.4 -2.7 6 6 A T H <> S+ 0 0 22 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.865 106.1 51.9 -69.5 -39.1 39.6 6.7 0.1 7 7 A H H X S+ 0 0 12 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.913 111.3 48.1 -60.9 -44.6 36.9 5.5 2.6 8 8 A T H X S+ 0 0 29 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.860 109.3 54.0 -63.0 -38.8 37.8 1.9 1.8 9 9 A L H X S+ 0 0 65 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.904 111.1 44.1 -64.1 -44.7 41.5 2.7 2.3 10 10 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.905 112.4 53.5 -65.9 -43.1 40.9 4.2 5.7 11 11 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.884 106.3 51.9 -59.1 -43.6 38.6 1.3 6.7 12 12 A Q H X S+ 0 0 101 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.833 109.2 50.8 -63.6 -33.2 41.3 -1.3 5.8 13 13 A R H X S+ 0 0 73 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.879 110.3 48.1 -72.6 -40.1 43.8 0.6 8.0 14 14 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.900 111.3 52.8 -60.8 -41.7 41.4 0.6 10.9 15 15 A D H X S+ 0 0 12 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.894 108.9 47.9 -61.4 -43.6 40.9 -3.1 10.2 16 16 A Q H X S+ 0 0 106 -4,-2.0 4,-2.6 2,-0.2 6,-0.2 0.880 108.6 55.3 -64.8 -39.9 44.6 -3.9 10.3 17 17 A A H X>S+ 0 0 2 -4,-2.0 5,-1.7 1,-0.2 4,-1.0 0.917 110.3 45.5 -58.2 -45.9 44.9 -1.9 13.6 18 18 A E H <5S+ 0 0 36 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.911 114.6 47.3 -64.1 -45.4 42.3 -4.1 15.2 19 19 A K H <5S+ 0 0 67 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.878 120.7 35.9 -66.1 -41.5 43.8 -7.4 13.9 20 20 A Q H <5S- 0 0 100 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.537 101.9-128.2 -88.9 -9.4 47.4 -6.6 14.9 21 21 A R T <5 + 0 0 108 -4,-1.0 2,-0.4 -5,-0.2 -3,-0.2 0.907 68.1 130.2 55.2 44.9 46.4 -4.7 18.1 22 22 A E < - 0 0 128 -5,-1.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.973 56.2-129.4-132.0 114.0 48.6 -1.8 16.9 23 23 A Q - 0 0 51 -2,-0.4 122,-0.2 -3,-0.1 2,-0.2 -0.293 17.9-147.9 -66.4 145.4 47.1 1.7 16.9 24 24 A I B -a 145 0A 25 120,-2.7 122,-2.6 1,-0.1 3,-0.1 -0.620 33.4 -81.1-101.8 166.8 47.3 3.9 13.8 25 25 A R - 0 0 51 -2,-0.2 -1,-0.1 120,-0.2 5,-0.1 -0.376 64.3 -81.0 -63.4 147.5 47.6 7.7 13.6 26 26 A A >> - 0 0 1 120,-0.2 4,-1.4 128,-0.2 3,-1.3 -0.265 34.4-136.2 -51.4 130.7 44.4 9.6 14.1 27 27 A I H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.860 103.6 60.7 -59.6 -37.2 42.5 9.7 10.8 28 28 A S H 34 S+ 0 0 5 1,-0.2 -1,-0.3 2,-0.2 6,-0.2 0.676 102.6 52.6 -64.6 -21.0 41.7 13.4 11.3 29 29 A L H <4 S+ 0 0 11 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.880 114.5 38.1 -84.0 -42.6 45.5 14.2 11.3 30 30 A D H < S+ 0 0 69 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.765 129.8 36.6 -74.8 -27.6 46.3 12.4 8.0 31 31 A Y >< + 0 0 56 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.3 -0.748 68.0 170.0-126.1 82.8 42.9 13.7 6.6 32 32 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.726 76.4 60.0 -66.6 -22.4 42.4 17.2 8.0 33 33 A E T 3 S+ 0 0 156 2,-0.0 -5,-0.1 -32,-0.0 2,-0.0 0.288 76.4 137.3 -89.4 9.7 39.4 17.8 5.7 34 34 A I < - 0 0 10 -3,-1.5 2,-0.2 -6,-0.2 125,-0.1 -0.319 35.9-161.6 -63.5 133.6 37.4 14.9 7.1 35 35 A T > - 0 0 44 124,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.618 33.9-107.1-107.1 170.9 33.7 15.5 7.7 36 36 A I H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.857 122.9 56.0 -65.2 -35.1 31.2 13.7 9.9 37 37 A E H > S+ 0 0 103 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.881 107.6 48.9 -61.9 -40.9 29.6 12.3 6.7 38 38 A D H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.919 107.5 55.7 -61.0 -46.8 33.1 10.9 5.7 39 39 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 126,-0.2 0.907 109.9 43.8 -56.7 -47.9 33.4 9.3 9.2 40 40 A Y H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.847 110.8 55.8 -67.1 -33.4 30.1 7.4 8.8 41 41 A A H X S+ 0 0 7 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.897 108.9 47.7 -62.9 -39.7 31.1 6.4 5.3 42 42 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.926 110.9 51.0 -65.2 -46.2 34.3 5.0 6.6 43 43 A Q H X S+ 0 0 8 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.929 108.9 51.2 -57.1 -46.2 32.4 3.1 9.4 44 44 A R H X S+ 0 0 94 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.899 110.3 49.5 -58.5 -43.0 30.0 1.7 6.8 45 45 A E H X S+ 0 0 32 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.903 111.2 48.0 -63.4 -43.8 32.9 0.4 4.7 46 46 A W H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.917 112.2 49.3 -64.1 -43.9 34.7 -1.2 7.7 47 47 A V H X S+ 0 0 17 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.916 110.1 52.0 -60.9 -42.9 31.4 -2.9 8.7 48 48 A R H X S+ 0 0 116 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.919 111.2 47.6 -57.4 -46.0 30.9 -4.1 5.1 49 49 A L H X S+ 0 0 30 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.919 112.4 48.4 -60.6 -46.1 34.5 -5.6 5.2 50 50 A K H <>S+ 0 0 5 -4,-2.6 5,-1.5 1,-0.2 4,-0.3 0.836 112.6 47.4 -69.7 -33.4 34.0 -7.3 8.5 51 51 A I H ><5S+ 0 0 68 -4,-2.4 3,-1.4 3,-0.2 -1,-0.2 0.892 109.2 54.4 -70.9 -40.9 30.6 -8.8 7.5 52 52 A A H 3<5S+ 0 0 80 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.839 100.9 61.1 -59.6 -34.1 32.2 -10.0 4.2 53 53 A E T 3<5S- 0 0 100 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.662 135.7 -83.5 -65.6 -20.0 34.9 -11.7 6.3 54 54 A G T < 5S+ 0 0 60 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.2 0.486 87.8 125.8 128.6 9.3 32.1 -13.8 7.9 55 55 A R < - 0 0 47 -5,-1.5 2,-0.4 30,-0.0 -1,-0.3 -0.470 46.4-138.0 -88.6 166.7 30.5 -11.8 10.7 56 56 A T - 0 0 71 -2,-0.1 29,-2.3 -4,-0.0 2,-0.3 -0.980 18.6-113.5-128.8 138.0 26.8 -11.0 11.1 57 57 A L E +B 84 0B 59 -2,-0.4 27,-0.2 27,-0.2 3,-0.1 -0.555 36.8 168.3 -67.5 126.0 25.1 -7.7 12.1 58 58 A K E - 0 0 66 25,-3.1 176,-2.1 -2,-0.3 2,-0.3 0.517 55.9 -56.6-116.8 -10.9 23.4 -8.2 15.5 59 59 A G E -Bc 83 234B 0 24,-1.4 24,-2.7 174,-0.3 2,-0.3 -0.986 51.7 -92.0 164.8-158.8 22.5 -4.6 16.4 60 60 A H E -Bc 82 235B 14 174,-1.5 176,-2.5 -2,-0.3 2,-0.3 -0.942 18.7-141.4-146.6 162.8 23.8 -1.1 17.1 61 61 A K E -Bc 81 236B 5 20,-2.2 20,-1.6 -2,-0.3 2,-0.4 -0.944 6.9-145.7-127.1 155.3 25.0 1.2 19.8 62 62 A I E +B 80 0B 0 174,-2.1 18,-0.2 -2,-0.3 2,-0.2 -0.973 28.4 170.7-115.6 132.4 24.5 4.9 20.6 63 63 A G E +B 79 0B 8 16,-2.2 16,-2.1 -2,-0.4 104,-0.0 -0.702 47.1 53.8-130.8-175.8 27.4 6.7 22.2 64 64 A L + 0 0 22 14,-0.2 -1,-0.2 -2,-0.2 9,-0.0 0.891 63.6 145.7 52.7 44.5 28.5 10.3 23.1 65 65 A T + 0 0 14 -3,-0.2 143,-0.4 174,-0.1 -1,-0.1 0.733 39.6 85.7 -83.9 -24.3 25.2 10.7 25.1 66 66 A S S > S- 0 0 41 1,-0.1 4,-2.0 141,-0.1 5,-0.1 -0.316 77.8-127.5 -81.3 161.2 26.5 12.9 27.9 67 67 A K H > S+ 0 0 161 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.829 110.9 55.2 -73.6 -34.5 26.9 16.7 28.0 68 68 A A H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 113.1 41.8 -59.6 -46.5 30.5 16.4 29.0 69 69 A M H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.885 112.2 52.2 -72.7 -41.5 31.3 14.2 26.0 70 70 A Q H <>S+ 0 0 13 -4,-2.0 5,-3.2 2,-0.2 -1,-0.2 0.884 113.2 44.5 -63.9 -40.9 29.3 16.1 23.4 71 71 A A H ><5S+ 0 0 76 -4,-1.7 3,-0.9 3,-0.2 -1,-0.2 0.925 116.4 45.2 -67.9 -46.5 30.9 19.4 24.3 72 72 A S H 3<5S+ 0 0 81 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.783 113.9 49.2 -70.8 -29.5 34.5 17.9 24.4 73 73 A S T 3<5S- 0 0 25 -4,-2.3 85,-0.4 2,-0.1 -1,-0.3 0.447 112.2-125.7 -83.8 -2.2 33.9 16.0 21.2 74 74 A Q T < 5 + 0 0 171 -3,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.895 67.9 123.7 57.2 46.5 32.6 19.3 19.7 75 75 A I < - 0 0 41 -5,-3.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.932 57.4-148.7-134.5 155.6 29.3 17.7 18.6 76 76 A S S S+ 0 0 111 -2,-0.3 -5,-0.1 -3,-0.1 -6,-0.1 0.193 80.2 33.9-113.0 14.9 25.6 18.6 19.2 77 77 A E S S- 0 0 59 -7,-0.1 -12,-0.0 1,-0.0 -2,-0.0 -0.967 88.0 -85.6-155.7 167.5 24.2 15.0 19.1 78 78 A P - 0 0 13 0, 0.0 -14,-0.2 0, 0.0 2,-0.2 -0.043 36.6-132.0 -64.7 175.6 25.1 11.4 19.9 79 79 A D E -B 63 0B 5 -16,-2.1 -16,-2.2 87,-0.1 2,-0.3 -0.714 16.4-152.3-117.5 176.3 27.0 9.0 17.7 80 80 A Y E -B 62 0B 9 -18,-0.2 2,-0.3 -2,-0.2 -18,-0.2 -0.984 10.9-177.7-147.1 161.1 26.4 5.4 16.6 81 81 A G E -B 61 0B 0 -20,-1.6 -20,-2.2 -2,-0.3 2,-0.4 -0.933 31.1 -98.8-148.6 170.7 28.1 2.2 15.5 82 82 A A E -B 60 0B 5 -2,-0.3 2,-0.5 -22,-0.2 -22,-0.3 -0.787 24.8-142.9-100.4 137.3 27.3 -1.4 14.4 83 83 A L E -B 59 0B 0 -24,-2.7 -25,-3.1 -2,-0.4 -24,-1.4 -0.866 18.1-162.0 -99.4 126.8 27.4 -4.4 16.7 84 84 A L E > -B 57 0B 0 -2,-0.5 3,-1.9 -27,-0.2 4,-0.3 -0.711 30.5-108.5-108.1 160.2 28.6 -7.7 15.2 85 85 A D G > S+ 0 0 63 -29,-2.3 3,-1.4 1,-0.3 -28,-0.1 0.823 114.3 58.0 -56.1 -38.2 28.1 -11.2 16.4 86 86 A D G 3 S+ 0 0 52 1,-0.3 -1,-0.3 -30,-0.1 -31,-0.0 0.467 93.6 69.8 -76.3 0.1 31.8 -11.7 17.4 87 87 A M G < S+ 0 0 2 -3,-1.9 84,-2.5 83,-0.1 2,-0.4 0.601 79.4 96.8 -86.8 -14.2 31.6 -8.8 19.8 88 88 A F E < -d 171 0B 54 -3,-1.4 2,-0.3 -4,-0.3 84,-0.2 -0.666 50.8-176.0 -89.2 128.7 29.2 -10.6 22.2 89 89 A F E -d 172 0B 32 82,-2.8 84,-0.6 -2,-0.4 2,-0.1 -0.909 29.7-105.9-118.0 148.6 30.6 -12.4 25.3 90 90 A H > - 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