==== 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 2EB5 . 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 . 1300 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 929 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 287 22.1 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 . 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 . 87 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 5 5 4 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 0 15 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 . 10 5 4 6 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 0 143 0, 0.0 3,-0.1 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 122.3 -33.4 -13.4 0.6 2 2 A F - 0 0 52 1,-0.1 2,-0.1 2,-0.1 5,-0.0 -0.179 360.0 -89.7 -57.5 161.1 -36.5 -11.4 -0.5 3 3 A D >> - 0 0 109 1,-0.1 3,-1.5 4,-0.0 4,-1.3 -0.451 40.1-101.1 -77.1 157.0 -36.0 -8.8 -3.3 4 4 A K H 3> S+ 0 0 153 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.807 119.5 59.7 -41.1 -45.0 -34.9 -5.3 -2.4 5 5 A H H 3> S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.830 103.1 51.0 -60.8 -36.9 -38.5 -3.9 -2.9 6 6 A T H <> S+ 0 0 29 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.901 108.6 51.7 -66.9 -42.3 -39.9 -6.2 -0.1 7 7 A H H X S+ 0 0 14 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.904 111.2 47.9 -59.7 -42.3 -37.1 -5.0 2.3 8 8 A T H X S+ 0 0 22 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.897 110.2 52.1 -65.6 -41.3 -38.0 -1.3 1.5 9 9 A L H X S+ 0 0 59 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.919 111.5 45.7 -60.9 -49.0 -41.7 -2.1 2.0 10 10 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.932 112.5 51.4 -59.0 -49.1 -41.1 -3.6 5.4 11 11 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.821 107.8 52.4 -55.5 -37.9 -38.8 -0.7 6.4 12 12 A Q H X S+ 0 0 99 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.840 108.5 51.2 -71.9 -31.5 -41.5 1.8 5.4 13 13 A R H X S+ 0 0 69 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.872 110.2 48.0 -73.0 -37.4 -44.0 0.1 7.6 14 14 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.891 111.5 52.3 -63.9 -42.5 -41.6 0.1 10.6 15 15 A D H X S+ 0 0 17 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.940 111.1 44.9 -60.3 -49.1 -40.9 3.8 10.0 16 16 A Q H X S+ 0 0 129 -4,-2.3 4,-2.9 1,-0.2 6,-0.3 0.894 111.3 54.7 -62.6 -40.4 -44.6 4.7 9.9 17 17 A A H X>S+ 0 0 3 -4,-2.0 5,-1.7 2,-0.2 4,-0.9 0.915 111.0 45.3 -59.0 -43.5 -45.1 2.5 13.1 18 18 A E H <5S+ 0 0 33 -4,-2.5 3,-0.3 3,-0.2 -2,-0.2 0.931 116.7 43.9 -66.8 -45.2 -42.4 4.5 14.8 19 19 A K H <5S+ 0 0 80 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.869 120.8 40.0 -68.7 -37.8 -43.7 8.0 13.7 20 20 A Q H <5S- 0 0 107 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.558 102.2-130.0 -86.3 -8.7 -47.4 7.1 14.4 21 21 A R T <5 + 0 0 112 -4,-0.9 2,-0.4 -3,-0.3 -3,-0.2 0.914 67.9 128.9 51.7 45.8 -46.6 5.2 17.7 22 22 A E < - 0 0 131 -5,-1.7 -1,-0.2 -6,-0.3 -2,-0.2 -0.967 55.3-133.0-132.6 114.8 -48.7 2.4 16.3 23 23 A Q - 0 0 45 -2,-0.4 122,-0.2 -3,-0.1 2,-0.2 -0.304 14.1-143.4 -68.5 147.3 -47.3 -1.1 16.3 24 24 A I B -a 145 0A 23 120,-2.5 122,-2.8 1,-0.1 3,-0.1 -0.605 35.1 -81.5 -95.8 165.9 -47.4 -3.4 13.3 25 25 A R - 0 0 124 -2,-0.2 -1,-0.1 120,-0.2 5,-0.1 -0.390 66.3 -79.5 -58.7 143.9 -47.9 -7.2 13.3 26 26 A A >> - 0 0 9 120,-0.2 3,-1.7 1,-0.2 4,-1.4 -0.273 38.8-135.5 -48.1 124.8 -44.7 -9.1 13.9 27 27 A I H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.840 104.1 58.7 -54.0 -37.2 -42.8 -9.1 10.6 28 28 A S H 34 S+ 0 0 25 1,-0.2 -1,-0.3 2,-0.2 6,-0.2 0.648 102.9 52.2 -72.2 -16.4 -42.1 -12.8 11.0 29 29 A L H <4 S+ 0 0 84 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.817 115.5 39.8 -85.6 -34.7 -45.8 -13.7 11.3 30 30 A D H < S+ 0 0 68 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.697 128.0 35.5 -79.2 -24.7 -46.6 -11.9 8.0 31 31 A Y S >< S+ 0 0 57 -4,-1.9 3,-2.6 -5,-0.2 -1,-0.2 -0.613 70.3 174.9-130.5 70.4 -43.4 -13.2 6.4 32 32 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.703 78.4 54.2 -54.6 -25.6 -42.9 -16.7 7.8 33 33 A E T 3 S+ 0 0 152 2,-0.0 -5,-0.1 0, 0.0 -2,-0.0 0.345 76.3 136.3 -93.8 6.3 -39.9 -17.4 5.6 34 34 A I < - 0 0 8 -3,-2.6 2,-0.2 -6,-0.2 118,-0.1 -0.236 37.9-157.8 -54.7 139.6 -37.9 -14.4 6.7 35 35 A T > - 0 0 48 117,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.650 32.6-104.2-111.7 171.7 -34.2 -15.1 7.4 36 36 A I H > S+ 0 0 66 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.861 123.3 56.9 -63.8 -33.4 -31.6 -13.3 9.5 37 37 A E H > S+ 0 0 105 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 106.8 48.2 -63.6 -44.1 -30.1 -12.0 6.2 38 38 A D H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 108.5 55.4 -58.1 -44.2 -33.5 -10.5 5.3 39 39 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 119,-0.2 0.930 109.6 44.5 -62.7 -46.1 -33.7 -8.9 8.8 40 40 A Y H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.835 111.6 55.0 -65.1 -31.8 -30.4 -7.1 8.5 41 41 A A H X S+ 0 0 6 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.914 108.5 47.4 -65.3 -42.8 -31.4 -6.0 5.0 42 42 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.933 111.1 52.1 -62.9 -47.4 -34.6 -4.5 6.3 43 43 A Q H X S+ 0 0 9 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.937 108.3 50.3 -52.3 -51.7 -32.6 -2.7 9.0 44 44 A R H X S+ 0 0 92 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.901 111.7 49.5 -52.0 -46.0 -30.2 -1.3 6.4 45 45 A E H X S+ 0 0 21 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.910 111.4 47.2 -62.2 -46.0 -33.2 -0.0 4.4 46 46 A W H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.938 113.4 48.0 -63.2 -46.9 -34.8 1.6 7.4 47 47 A V H X S+ 0 0 17 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.907 111.2 51.6 -60.5 -42.5 -31.6 3.3 8.5 48 48 A R H X S+ 0 0 119 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.918 111.0 48.7 -57.0 -46.6 -31.0 4.5 4.9 49 49 A L H X S+ 0 0 30 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.878 111.3 49.1 -59.9 -43.7 -34.5 5.9 4.8 50 50 A K H <>S+ 0 0 4 -4,-2.4 5,-1.8 2,-0.2 4,-0.3 0.869 110.4 49.5 -71.0 -35.6 -34.0 7.7 8.2 51 51 A I H ><5S+ 0 0 69 -4,-2.3 3,-1.2 3,-0.2 -1,-0.2 0.866 108.9 53.9 -68.6 -37.0 -30.7 9.2 7.1 52 52 A A H 3<5S+ 0 0 76 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.863 101.6 60.2 -61.2 -34.6 -32.4 10.4 3.9 53 53 A E T 3<5S- 0 0 99 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.588 135.6 -85.8 -71.5 -13.0 -35.0 12.1 6.1 54 54 A G T < 5S+ 0 0 60 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.2 0.491 87.0 126.7 121.2 7.2 -32.2 14.2 7.7 55 55 A R < - 0 0 44 -5,-1.8 2,-0.4 30,-0.1 -1,-0.3 -0.478 45.7-140.8 -86.5 165.6 -30.7 12.0 10.5 56 56 A T - 0 0 69 -2,-0.1 29,-2.4 -4,-0.0 2,-0.3 -0.987 18.8-111.3-129.9 139.2 -27.0 11.2 10.8 57 57 A L E +B 84 0B 61 -2,-0.4 27,-0.2 27,-0.2 3,-0.1 -0.541 37.2 167.8 -65.7 125.0 -25.2 8.0 11.8 58 58 A K E - 0 0 69 25,-2.9 169,-2.1 -2,-0.3 2,-0.3 0.516 57.8 -58.0-116.0 -13.0 -23.5 8.5 15.2 59 59 A G E -Bc 83 227B 0 24,-1.5 24,-2.5 167,-0.3 2,-0.3 -0.983 51.9 -93.0 165.8-153.9 -22.6 4.9 16.0 60 60 A H E -Bc 82 228B 13 167,-1.4 169,-2.3 22,-0.3 2,-0.3 -0.925 19.0-139.3-148.6 163.1 -23.9 1.4 16.6 61 61 A K E -Bc 81 229B 3 20,-2.0 20,-1.7 -2,-0.3 2,-0.4 -0.951 6.6-145.7-126.9 156.2 -25.1 -0.9 19.4 62 62 A I E +B 80 0B 0 167,-1.9 18,-0.2 -2,-0.3 2,-0.2 -0.971 31.8 176.3-112.9 133.5 -24.5 -4.6 20.1 63 63 A G E +B 79 0B 6 16,-2.1 16,-2.0 -2,-0.4 5,-0.1 -0.714 46.5 46.2-132.9-178.5 -27.5 -6.3 21.7 64 64 A L > + 0 0 38 14,-0.2 4,-2.1 -2,-0.2 -1,-0.1 0.790 67.2 138.2 50.1 35.0 -28.9 -9.6 23.0 65 65 A T H > + 0 0 4 2,-0.2 4,-1.9 -3,-0.2 136,-0.1 0.917 69.2 47.0 -74.2 -44.7 -25.6 -10.2 24.6 66 66 A S H > S+ 0 0 43 166,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.920 115.5 47.1 -60.4 -44.0 -27.1 -11.6 27.8 67 67 A K H 4 S+ 0 0 99 2,-0.2 6,-0.2 1,-0.2 -2,-0.2 0.845 108.4 54.1 -69.5 -35.3 -29.4 -13.8 25.7 68 68 A A H < S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.891 115.1 42.3 -61.2 -40.3 -26.5 -15.0 23.5 69 69 A M H < S+ 0 0 77 -4,-1.9 -2,-0.2 130,-0.1 -1,-0.2 0.871 92.7 95.3 -76.0 -40.7 -24.6 -16.0 26.7 70 70 A Q >< - 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0 0 50 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.564 21.4-167.4 -73.8 101.3 -41.0 12.6 26.0 97 97 A T G > S+ 0 0 18 -2,-1.1 3,-1.8 1,-0.3 142,-0.1 0.834 83.1 66.0 -54.3 -37.5 -42.8 9.4 26.9 98 98 A D G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.668 89.2 66.4 -63.2 -20.9 -45.3 10.0 24.1 99 99 A R G < S+ 0 0 93 -3,-1.8 -1,-0.3 2,-0.0 2,-0.2 0.743 100.6 58.5 -67.1 -24.7 -42.6 9.6 21.4 100 100 A F < - 0 0 15 -3,-1.8 42,-0.1 -4,-0.4 62,-0.0 -0.604 63.8-153.1-113.6 167.7 -42.2 5.9 22.3 101 101 A I S S- 0 0 43 -2,-0.2 -1,-0.1 -79,-0.0 43,-0.1 0.876 89.3 -5.2-104.7 -62.4 -44.5 2.9 22.4 102 102 A V S S- 0 0 73 41,-0.1 138,-0.1 2,-0.1 39,-0.1 -0.509 83.6-173.9-132.2 63.3 -43.2 0.4 25.0 103 103 A P - 0 0 10 0, 0.0 136,-2.8 0, 0.0 2,-0.3 -0.290 5.8-178.9 -68.9 141.0 -40.0 2.0 26.1 104 104 A R E -EF 141 238B 106 37,-1.9 37,-2.7 134,-0.3 2,-0.4 -0.983 18.5-134.8-135.0 150.5 -37.6 0.3 28.5 105 105 A I E +EF 140 237B 0 132,-2.8 132,-2.3 -2,-0.3 2,-0.3 -0.861 22.6 179.5-108.0 136.0 -34.3 1.4 30.0 106 106 A E E -E 139 0B 22 33,-2.5 33,-2.0 -2,-0.4 2,-0.5 -0.914 25.9-115.8-135.9 165.3 -31.1 -0.8 30.2 107 107 A V E +E 138 0B 0 -2,-0.3 126,-2.5 31,-0.2 127,-0.5 -0.873 43.0 147.4-114.5 121.2 -27.6 -0.2 31.5 108 108 A E E -E 137 0B 0 29,-2.6 29,-2.2 -2,-0.5 2,-0.4 -0.722 40.5-117.2-137.1 176.1 -24.5 -0.3 29.3 109 109 A L E -E 136 0B 3 122,-0.5 121,-2.6 27,-0.2 2,-0.4 -0.959 27.6-150.2-117.5 149.2 -21.0 1.0 28.6 110 110 A A E -EG 135 229B 0 25,-2.7 25,-2.5 -2,-0.4 2,-0.5 -0.915 3.9-145.8-119.7 145.8 -20.2 3.0 25.5 111 111 A F E -EG 134 228B 1 117,-2.5 117,-2.5 -2,-0.4 2,-0.6 -0.956 7.1-156.1-113.8 119.4 -16.9 3.2 23.6 112 112 A V E -EG 133 227B 9 21,-3.1 20,-3.3 -2,-0.5 21,-1.4 -0.876 22.7-136.5 -96.8 115.9 -16.1 6.5 21.9 113 113 A L E -E 131 0B 3 113,-2.5 112,-2.8 -2,-0.6 18,-0.3 -0.591 27.9-179.0 -83.1 130.7 -13.7 5.7 19.1 114 114 A A S S+ 0 0 46 16,-3.2 17,-0.2 -2,-0.3 -1,-0.1 0.682 81.2 26.2 -86.0 -25.5 -10.6 7.9 18.4 115 115 A K S S- 0 0 129 15,-1.7 -1,-0.1 108,-0.1 110,-0.1 -0.922 94.0 -93.7-138.0 154.4 -9.7 5.7 15.3 116 116 A P - 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