==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-FEB-07 2EB4 . 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 . 1309 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53565.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 930 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 291 22.2 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 . 6 0.5 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 . 96 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 20.9 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 2 8 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 6 9 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 . 11 5 3 7 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 0 148 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 134.8 -33.6 -13.7 0.8 2 2 A F - 0 0 48 1,-0.1 2,-0.1 33,-0.1 33,-0.0 -0.373 360.0 -91.5 -74.3 164.1 -36.5 -11.4 -0.3 3 3 A D >> - 0 0 103 1,-0.1 4,-1.5 -2,-0.1 3,-1.2 -0.435 38.9-104.7 -74.3 158.4 -35.9 -8.9 -3.1 4 4 A K H 3> S+ 0 0 148 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.804 118.9 60.6 -51.4 -38.3 -34.8 -5.4 -2.2 5 5 A H H 3> S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.835 103.3 50.2 -62.2 -36.3 -38.2 -3.9 -2.8 6 6 A T H <> S+ 0 0 29 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.907 109.3 51.6 -68.5 -42.1 -39.7 -6.1 -0.1 7 7 A H H X S+ 0 0 8 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.906 110.8 48.3 -58.6 -44.0 -37.0 -5.0 2.4 8 8 A T H X S+ 0 0 26 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.879 110.0 52.6 -64.0 -39.7 -37.8 -1.4 1.6 9 9 A L H X S+ 0 0 62 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.923 110.6 45.8 -62.5 -49.4 -41.5 -2.0 2.1 10 10 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.900 112.0 52.8 -60.6 -43.3 -41.1 -3.5 5.5 11 11 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.859 106.7 52.5 -60.4 -38.6 -38.7 -0.7 6.5 12 12 A Q H X S+ 0 0 105 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.844 108.8 50.6 -67.3 -34.2 -41.3 1.9 5.5 13 13 A R H X S+ 0 0 71 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.850 110.0 49.0 -72.7 -36.4 -43.9 0.2 7.7 14 14 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.899 110.7 52.1 -64.6 -41.5 -41.5 0.2 10.7 15 15 A D H X S+ 0 0 16 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.914 110.8 46.0 -61.8 -45.8 -40.8 3.9 10.0 16 16 A Q H X S+ 0 0 129 -4,-2.1 4,-3.0 2,-0.2 6,-0.2 0.899 110.2 54.9 -62.8 -41.7 -44.5 4.7 10.0 17 17 A A H X>S+ 0 0 3 -4,-2.1 5,-1.8 1,-0.2 4,-0.9 0.910 110.9 45.4 -57.2 -44.3 -45.0 2.6 13.2 18 18 A E H <5S+ 0 0 36 -4,-2.3 3,-0.3 3,-0.2 -2,-0.2 0.927 116.0 44.5 -66.1 -47.4 -42.3 4.6 14.9 19 19 A K H <5S+ 0 0 76 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.876 120.4 40.2 -66.3 -39.0 -43.7 8.0 13.8 20 20 A Q H <5S- 0 0 113 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.562 101.5-130.1 -85.5 -10.2 -47.3 7.2 14.5 21 21 A R T <5 + 0 0 116 -4,-0.9 2,-0.4 -3,-0.3 -3,-0.2 0.907 67.7 130.5 55.3 43.3 -46.5 5.3 17.8 22 22 A E < - 0 0 132 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.964 55.4-131.8-132.5 112.6 -48.7 2.5 16.4 23 23 A Q - 0 0 46 -2,-0.4 122,-0.2 -3,-0.1 2,-0.2 -0.278 15.7-146.6 -67.0 145.7 -47.3 -1.0 16.4 24 24 A I B -a 145 0A 24 120,-2.5 122,-2.7 1,-0.1 3,-0.1 -0.643 34.8 -81.5-100.2 164.9 -47.5 -3.3 13.4 25 25 A R - 0 0 116 -2,-0.2 -1,-0.1 120,-0.2 5,-0.1 -0.376 65.4 -81.2 -59.8 144.0 -48.0 -7.1 13.3 26 26 A A >> - 0 0 8 1,-0.1 3,-1.5 120,-0.1 4,-1.4 -0.277 37.0-135.2 -50.0 126.9 -44.8 -9.0 13.9 27 27 A I H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.844 103.8 59.5 -56.3 -37.1 -42.8 -9.1 10.6 28 28 A S H 34 S+ 0 0 7 1,-0.2 -1,-0.3 2,-0.2 6,-0.2 0.674 103.4 52.0 -68.7 -20.1 -42.1 -12.8 11.1 29 29 A L H <4 S+ 0 0 50 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.854 115.0 39.8 -81.6 -39.3 -45.9 -13.6 11.2 30 30 A D H < S+ 0 0 68 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.760 127.9 36.0 -76.1 -27.8 -46.5 -11.7 7.9 31 31 A Y S >< S+ 0 0 56 -4,-2.3 3,-2.2 -5,-0.2 -1,-0.3 -0.665 70.3 174.7-126.8 74.4 -43.3 -13.1 6.4 32 32 A P T 3 S+ 0 0 96 0, 0.0 119,-0.1 0, 0.0 -1,-0.1 0.673 78.5 54.0 -58.2 -21.4 -43.0 -16.7 7.8 33 33 A E T 3 S+ 0 0 157 2,-0.0 -5,-0.1 -4,-0.0 -4,-0.1 0.268 77.0 138.3 -98.3 9.8 -39.9 -17.4 5.7 34 34 A I < - 0 0 9 -3,-2.2 2,-0.2 -6,-0.2 117,-0.1 -0.263 36.9-156.9 -57.1 137.5 -37.9 -14.4 6.8 35 35 A T > - 0 0 46 119,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.660 31.9-105.2-110.3 170.4 -34.2 -15.1 7.5 36 36 A I H > S+ 0 0 62 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.860 123.2 55.7 -62.0 -34.6 -31.6 -13.3 9.6 37 37 A E H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.890 107.4 48.5 -63.9 -41.9 -30.1 -12.0 6.4 38 38 A D H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.912 108.3 55.3 -60.5 -45.3 -33.5 -10.5 5.5 39 39 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 121,-0.2 0.911 110.3 43.6 -58.2 -47.2 -33.8 -9.0 9.0 40 40 A Y H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.800 111.5 55.5 -68.9 -28.6 -30.5 -7.1 8.7 41 41 A A H X S+ 0 0 6 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.898 108.0 48.4 -67.7 -41.8 -31.4 -6.1 5.1 42 42 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.925 111.4 50.6 -61.0 -46.8 -34.6 -4.5 6.5 43 43 A Q H X S+ 0 0 9 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.934 109.4 50.3 -56.2 -49.2 -32.6 -2.8 9.2 44 44 A R H X S+ 0 0 92 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.895 111.2 49.5 -56.7 -42.8 -30.1 -1.4 6.6 45 45 A E H X S+ 0 0 18 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.899 111.3 48.2 -63.7 -42.7 -33.1 -0.1 4.5 46 46 A W H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.914 112.4 48.5 -64.5 -44.4 -34.7 1.6 7.5 47 47 A V H X S+ 0 0 17 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.923 111.8 49.4 -61.3 -45.4 -31.4 3.2 8.6 48 48 A R H X S+ 0 0 124 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.911 110.9 51.5 -58.3 -45.3 -30.8 4.4 5.0 49 49 A L H X S+ 0 0 31 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.913 111.3 46.2 -55.0 -49.6 -34.4 5.8 4.9 50 50 A K H <>S+ 0 0 2 -4,-2.4 5,-2.0 2,-0.2 4,-0.4 0.854 111.9 50.1 -69.5 -35.7 -33.9 7.7 8.2 51 51 A I H ><5S+ 0 0 68 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.897 108.1 53.1 -67.2 -41.0 -30.5 9.1 7.1 52 52 A A H 3<5S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.822 102.8 61.0 -59.1 -31.6 -32.1 10.3 3.8 53 53 A E T 3<5S- 0 0 98 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.636 134.6 -88.4 -68.8 -19.6 -34.6 12.0 6.1 54 54 A G T < 5S+ 0 0 58 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.322 85.5 129.4 125.7 -4.2 -31.8 14.1 7.6 55 55 A R < - 0 0 43 -5,-2.0 2,-0.4 -8,-0.1 -1,-0.3 -0.337 45.9-139.6 -75.8 162.5 -30.5 11.9 10.5 56 56 A T - 0 0 70 -2,-0.1 29,-2.5 -4,-0.0 2,-0.3 -0.982 16.9-115.7-127.2 136.0 -26.8 11.1 11.0 57 57 A L E +B 84 0B 59 -2,-0.4 27,-0.2 27,-0.2 3,-0.1 -0.558 35.0 170.0 -67.6 124.8 -25.2 7.9 12.0 58 58 A K E - 0 0 68 25,-3.2 171,-2.3 -2,-0.3 2,-0.3 0.494 56.8 -61.0-115.5 -10.5 -23.4 8.3 15.3 59 59 A G E -Bc 83 229B 0 24,-1.4 24,-2.9 169,-0.3 -1,-0.3 -0.991 51.9 -91.6 161.2-156.5 -22.6 4.7 16.2 60 60 A H E -Bc 82 230B 12 169,-1.3 171,-2.3 -2,-0.3 2,-0.3 -0.924 18.4-139.5-145.6 165.8 -24.0 1.3 16.9 61 61 A K E -Bc 81 231B 3 20,-2.2 20,-1.8 -2,-0.3 2,-0.5 -0.953 8.0-144.0-128.1 154.7 -25.1 -1.0 19.7 62 62 A I E +B 80 0B 0 169,-2.1 18,-0.2 -2,-0.3 2,-0.2 -0.980 32.5 174.8-113.3 126.5 -24.7 -4.7 20.4 63 63 A G E +B 79 0B 6 16,-2.0 16,-1.9 -2,-0.5 99,-0.1 -0.602 47.1 48.6-124.7-174.2 -27.7 -6.3 22.0 64 64 A L > + 0 0 40 14,-0.2 4,-1.9 -2,-0.2 -1,-0.1 0.764 66.9 140.7 49.6 32.7 -29.2 -9.6 23.1 65 65 A T H > + 0 0 4 2,-0.2 4,-1.6 -3,-0.2 138,-0.2 0.882 66.7 46.9 -70.9 -41.4 -25.8 -10.2 24.9 66 66 A S H > S+ 0 0 47 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.941 114.8 46.1 -66.0 -48.3 -27.3 -11.8 28.0 67 67 A K H 4 S+ 0 0 103 1,-0.2 6,-0.2 2,-0.2 -2,-0.2 0.855 109.4 56.1 -63.4 -36.5 -29.6 -14.1 26.0 68 68 A A H < S+ 0 0 21 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.881 115.4 38.6 -59.6 -38.8 -26.7 -15.0 23.7 69 69 A M H < S+ 0 0 79 -4,-1.6 -2,-0.2 -3,-0.1 -1,-0.2 0.876 95.3 97.3 -79.8 -41.7 -24.7 -16.1 26.8 70 70 A Q < - 0 0 69 -4,-3.0 3,-0.3 1,-0.1 5,-0.0 -0.206 65.6-145.6 -55.2 134.7 -27.6 -17.8 28.8 71 71 A A S S+ 0 0 112 1,-0.2 -1,-0.1 3,-0.0 -4,-0.0 0.810 98.4 57.8 -67.6 -31.4 -27.9 -21.6 28.4 72 72 A S S S+ 0 0 109 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.729 92.3 81.3 -73.8 -25.6 -31.7 -21.4 28.6 73 73 A S - 0 0 30 -3,-0.3 0, 0.0 -6,-0.2 0, 0.0 -0.625 68.9-147.2 -87.3 141.8 -32.0 -19.0 25.6 74 74 A Q + 0 0 185 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 0.623 66.9 112.7 -80.8 -14.3 -32.0 -20.4 22.0 75 75 A I - 0 0 41 1,-0.1 -2,-0.1 -8,-0.1 -11,-0.0 -0.452 49.6-168.2 -61.4 124.6 -30.3 -17.1 20.8 76 76 A S + 0 0 113 -2,-0.2 -1,-0.1 1,-0.2 -8,-0.0 0.685 61.3 6.7 -95.9 -24.9 -26.8 -18.2 19.7 77 77 A E S S- 0 0 72 1,-0.0 -1,-0.2 -13,-0.0 -10,-0.0 -0.967 84.2 -83.0-152.4 165.3 -25.1 -14.8 19.3 78 78 A P - 0 0 14 0, 0.0 -14,-0.2 0, 0.0 2,-0.2 -0.079 35.1-135.8 -63.5 165.9 -25.7 -11.0 19.8 79 79 A D E -B 63 0B 4 -16,-1.9 -16,-2.0 82,-0.1 2,-0.3 -0.648 15.4-150.7-108.0 175.9 -27.5 -8.7 17.5 80 80 A Y E -B 62 0B 9 -18,-0.2 2,-0.3 -2,-0.2 -18,-0.2 -0.985 12.1-179.4-143.9 159.5 -26.6 -5.1 16.4 81 81 A G E -B 61 0B 0 -20,-1.8 -20,-2.2 -2,-0.3 2,-0.4 -0.943 30.7 -98.5-149.2 170.4 -28.3 -1.9 15.4 82 82 A A E -B 60 0B 4 -2,-0.3 2,-0.6 -22,-0.2 -22,-0.3 -0.773 24.2-143.9-100.0 136.4 -27.4 1.6 14.3 83 83 A L E -B 59 0B 0 -24,-2.9 -25,-3.2 -2,-0.4 -24,-1.4 -0.872 18.2-163.5 -99.0 123.5 -27.5 4.6 16.6 84 84 A L E > -B 57 0B 0 -2,-0.6 3,-2.0 -27,-0.2 4,-0.3 -0.718 30.8-110.2-106.5 158.4 -28.6 7.9 15.0 85 85 A D G > S+ 0 0 65 -29,-2.5 3,-1.4 1,-0.3 -28,-0.1 0.810 113.5 60.3 -56.4 -36.2 -28.1 11.4 16.2 86 86 A D G 3 S+ 0 0 43 1,-0.3 -1,-0.3 -30,-0.1 -31,-0.0 0.496 93.7 68.3 -74.6 -1.9 -31.8 12.0 17.1 87 87 A M G < S+ 0 0 2 -3,-2.0 79,-2.4 78,-0.1 2,-0.4 0.632 80.1 97.2 -87.1 -15.5 -31.7 9.1 19.6 88 88 A F E < -d 166 0B 53 -3,-1.4 2,-0.3 -4,-0.3 79,-0.2 -0.616 49.1-176.6 -89.0 129.7 -29.4 10.8 22.0 89 89 A F E -d 167 0B 34 77,-2.8 79,-0.7 -2,-0.4 2,-0.1 -0.928 29.4-109.2-118.2 147.2 -30.6 12.6 25.1 90 90 A H > - 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