==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-JUL-00 1E5H . COMPND 2 MOLECULE: DEACETOXYCEPHALOSPORIN C SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CLAVULIGERUS; . AUTHOR H.J.LEE,M.D.LLOYD,K.HARLOS,I.J.CLIFTON,J.E.BALDWIN, . 271 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13081.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 20.7 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 . 1 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 . 1 0.4 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 . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.0 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 4 2 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 1 5 2 1 2 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 0 1 0 0 0 1 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 0 140 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.1 -5.3 -33.8 5.0 2 2 A D - 0 0 104 1,-0.1 182,-0.1 2,-0.0 0, 0.0 -0.540 360.0-157.6 -67.7 122.4 -1.8 -34.0 6.5 3 3 A T + 0 0 69 -2,-0.4 2,-0.2 180,-0.1 -1,-0.1 0.149 49.3 128.9 -88.2 18.5 -0.8 -30.4 7.2 4 4 A T - 0 0 74 1,-0.1 180,-0.1 184,-0.0 -2,-0.0 -0.541 66.2-121.7 -77.1 138.6 2.8 -31.3 7.1 5 5 A V - 0 0 18 -2,-0.2 27,-0.1 178,-0.1 -1,-0.1 -0.711 38.9-138.0 -77.6 112.8 5.2 -29.3 4.9 6 6 A P - 0 0 30 0, 0.0 27,-2.5 0, 0.0 2,-0.4 -0.189 7.5-139.4 -72.5 168.4 6.6 -32.0 2.7 7 7 A T E -a 33 0A 57 25,-0.2 2,-0.4 191,-0.0 27,-0.2 -0.987 17.0-170.4-127.7 137.0 10.2 -32.4 1.6 8 8 A F E -a 34 0A 14 25,-2.7 27,-2.9 -2,-0.4 2,-0.6 -0.969 21.7-131.6-130.6 144.9 11.3 -33.4 -1.9 9 9 A S E > -a 35 0A 7 -2,-0.4 4,-2.2 25,-0.2 27,-0.2 -0.853 13.0-149.0 -93.4 123.9 14.7 -34.4 -3.3 10 10 A L H > S+ 0 0 8 25,-2.4 4,-2.8 -2,-0.6 5,-0.2 0.902 99.5 54.2 -58.3 -41.1 15.3 -32.4 -6.5 11 11 A A H > S+ 0 0 30 25,-0.4 4,-1.2 24,-0.3 -1,-0.2 0.904 109.2 47.5 -60.0 -42.2 17.3 -35.4 -7.8 12 12 A E H 4>S+ 0 0 74 2,-0.2 5,-2.6 1,-0.2 -1,-0.2 0.856 110.8 51.1 -68.5 -35.7 14.4 -37.7 -7.2 13 13 A L H ><5S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.937 108.8 50.9 -67.4 -43.7 12.0 -35.4 -8.9 14 14 A Q H 3<5S+ 0 0 96 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.793 105.6 58.2 -62.6 -26.1 14.2 -35.1 -11.9 15 15 A Q T 3<5S- 0 0 135 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.450 123.2-106.9 -81.6 -2.3 14.3 -39.0 -11.9 16 16 A G T < 5S+ 0 0 40 -3,-2.0 3,-0.5 1,-0.3 -3,-0.2 0.658 71.5 144.2 85.9 16.6 10.5 -39.0 -12.2 17 17 A L < + 0 0 74 -5,-2.6 -1,-0.3 1,-0.2 5,-0.1 -0.547 58.7 10.7 -90.5 156.3 9.8 -40.1 -8.6 18 18 A H S > S+ 0 0 67 -2,-0.2 4,-2.4 1,-0.1 -1,-0.2 0.786 72.7 152.2 51.9 36.9 6.9 -39.0 -6.4 19 19 A Q H > S+ 0 0 35 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.891 71.3 46.2 -64.9 -40.0 5.0 -37.3 -9.2 20 20 A D H > S+ 0 0 84 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.960 114.9 47.5 -65.6 -49.0 1.6 -37.8 -7.7 21 21 A E H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.862 112.7 49.5 -58.5 -39.1 2.8 -36.6 -4.3 22 22 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.927 111.1 48.7 -67.8 -45.6 4.5 -33.6 -5.8 23 23 A R H X S+ 0 0 91 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.948 112.3 48.6 -58.9 -49.2 1.4 -32.6 -7.8 24 24 A R H X S+ 0 0 124 -4,-2.8 4,-3.5 1,-0.2 5,-0.4 0.921 111.3 51.0 -57.3 -45.1 -0.8 -32.9 -4.7 25 25 A C H X>S+ 0 0 7 -4,-2.3 4,-3.1 -5,-0.2 5,-2.5 0.958 111.1 47.0 -57.6 -53.1 1.6 -30.8 -2.8 26 26 A L H <5S+ 0 0 0 -4,-2.7 188,-3.2 3,-0.2 -1,-0.2 0.889 118.8 42.2 -55.7 -41.9 1.7 -28.1 -5.4 27 27 A R H <5S+ 0 0 142 -4,-2.5 -2,-0.2 186,-0.3 -1,-0.2 0.921 125.6 30.1 -73.2 -47.0 -2.1 -28.1 -5.6 28 28 A D H <5S+ 0 0 53 -4,-3.5 156,-0.4 -5,-0.2 -3,-0.2 0.729 139.3 9.8 -88.6 -23.4 -3.0 -28.4 -1.9 29 29 A K T <5 - 0 0 21 -4,-3.1 -3,-0.2 -5,-0.4 -4,-0.1 0.720 68.8-152.4-124.8 -45.5 -0.1 -26.6 -0.3 30 30 A G < + 0 0 0 -5,-2.5 171,-3.0 1,-0.2 2,-0.3 0.684 68.4 78.3 75.4 17.1 2.2 -24.8 -2.7 31 31 A L E + B 0 200A 0 -6,-0.3 2,-0.3 169,-0.2 169,-0.2 -0.990 45.5 148.3-153.9 155.5 5.3 -25.1 -0.5 32 32 A F E - B 0 199A 0 167,-1.7 167,-3.1 -2,-0.3 2,-0.3 -0.956 44.2 -97.9-177.0 162.0 7.9 -27.6 0.4 33 33 A Y E -aB 7 198A 15 -27,-2.5 -25,-2.7 -2,-0.3 2,-0.5 -0.721 35.5-149.8 -91.8 146.2 11.5 -28.1 1.5 34 34 A L E -aB 8 197A 0 163,-2.9 163,-2.2 -2,-0.3 3,-0.2 -0.976 14.2-174.6-124.1 124.3 13.9 -29.1 -1.3 35 35 A T E +a 9 0A 19 -27,-2.9 -25,-2.4 -2,-0.5 -24,-0.3 -0.530 62.4 32.2-106.7 176.6 17.0 -31.3 -0.8 36 36 A D S S+ 0 0 108 159,-0.5 -25,-0.4 -27,-0.2 -1,-0.2 0.878 77.7 124.1 42.3 50.7 19.8 -32.4 -3.1 37 37 A C S S- 0 0 14 2,-0.2 -1,-0.1 -3,-0.2 82,-0.1 0.098 89.4 -97.2-123.3 20.9 19.5 -29.1 -5.1 38 38 A G S S+ 0 0 32 1,-0.1 2,-0.5 80,-0.1 81,-0.1 0.581 94.2 110.8 75.6 10.7 23.2 -28.0 -4.7 39 39 A L + 0 0 3 156,-0.1 -2,-0.2 4,-0.1 2,-0.2 -0.934 36.2 147.8-124.5 111.3 22.3 -25.7 -1.7 40 40 A T > - 0 0 53 -2,-0.5 4,-1.8 -3,-0.1 155,-0.2 -0.711 61.2 -90.0-129.5-179.2 23.5 -26.5 1.8 41 41 A D H > S+ 0 0 64 153,-1.4 4,-3.4 -2,-0.2 5,-0.2 0.858 118.4 63.2 -61.6 -37.3 24.5 -24.8 5.0 42 42 A T H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.958 105.9 41.5 -52.7 -59.9 28.1 -24.7 3.8 43 43 A E H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.933 116.2 50.3 -54.7 -49.7 27.5 -22.5 0.8 44 44 A L H X S+ 0 0 4 -4,-1.8 4,-3.3 1,-0.2 -1,-0.2 0.929 108.4 54.6 -54.5 -46.5 25.2 -20.3 2.8 45 45 A K H X S+ 0 0 82 -4,-3.4 4,-3.3 1,-0.2 5,-0.2 0.920 105.4 51.4 -53.5 -51.2 27.8 -20.0 5.5 46 46 A S H X S+ 0 0 54 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.922 118.3 36.1 -54.9 -50.6 30.5 -18.8 3.1 47 47 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 5,-0.3 0.876 115.4 59.3 -70.5 -37.0 28.3 -16.0 1.7 48 48 A K H X S+ 0 0 53 -4,-3.3 4,-2.5 -5,-0.3 5,-0.2 0.949 107.4 43.9 -54.7 -55.6 26.8 -15.5 5.1 49 49 A D H X S+ 0 0 72 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.911 112.6 49.7 -60.0 -48.1 30.1 -14.7 6.8 50 50 A I H X S+ 0 0 33 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.802 115.4 43.4 -66.1 -28.3 31.5 -12.4 4.1 51 51 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.922 112.5 51.0 -81.5 -44.9 28.3 -10.3 4.0 52 52 A I H X S+ 0 0 20 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.924 108.3 55.4 -54.3 -45.4 27.8 -10.1 7.8 53 53 A D H X>S+ 0 0 83 -4,-2.5 4,-3.6 -5,-0.2 5,-0.6 0.956 107.3 47.9 -50.9 -56.1 31.5 -9.0 7.9 54 54 A F H X5S+ 0 0 17 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.889 110.8 52.3 -53.7 -43.4 30.7 -6.1 5.5 55 55 A F H <5S+ 0 0 5 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.936 122.4 28.8 -59.4 -48.3 27.6 -5.2 7.6 56 56 A E H <5S+ 0 0 107 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.931 135.0 26.4 -80.0 -50.7 29.6 -5.0 10.9 57 57 A H H <5S+ 0 0 137 -4,-3.6 2,-0.3 -5,-0.3 -3,-0.2 0.362 93.6 110.9 -98.1 4.1 33.1 -4.1 9.8 58 58 A G << - 0 0 10 -4,-1.4 -4,-0.0 -5,-0.6 0, 0.0 -0.642 65.5-128.4 -81.7 135.0 32.2 -2.2 6.6 59 59 A S > - 0 0 50 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.172 21.3-110.5 -73.5 172.4 32.8 1.5 6.7 60 60 A E H > S+ 0 0 143 2,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.719 119.1 52.3 -75.6 -21.4 30.2 4.1 5.7 61 61 A A H > S+ 0 0 55 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.930 108.5 46.3 -78.3 -50.4 32.3 4.9 2.6 62 62 A E H 4 S+ 0 0 100 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.892 114.6 49.1 -59.1 -40.8 32.7 1.3 1.4 63 63 A K H >< S+ 0 0 20 -4,-1.6 3,-0.7 1,-0.2 14,-0.3 0.817 106.5 58.3 -68.2 -30.5 28.9 0.8 1.9 64 64 A R H >< S+ 0 0 173 -4,-0.8 3,-1.8 1,-0.2 -2,-0.2 0.907 100.1 54.8 -65.3 -44.0 28.3 4.0 0.0 65 65 A A T 3< S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.624 113.2 44.2 -66.3 -13.1 30.1 2.8 -3.1 66 66 A V T < S+ 0 0 6 -3,-0.7 11,-3.0 -4,-0.4 2,-0.5 0.065 93.0 99.7-118.4 22.2 27.7 -0.2 -3.1 67 67 A T B < S-C 76 0A 64 -3,-1.8 9,-0.1 9,-0.2 11,-0.1 -0.945 71.8-126.5-112.4 126.9 24.5 1.7 -2.3 68 68 A S - 0 0 29 7,-0.6 5,-0.1 -2,-0.5 -2,-0.1 -0.360 20.4-118.7 -69.1 150.3 22.1 2.5 -5.2 69 69 A P S S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.743 105.9 49.5 -61.3 -24.3 21.0 6.2 -5.7 70 70 A V S S- 0 0 86 0, 0.0 2,-2.4 0, 0.0 3,-0.3 -0.974 90.4-126.9-117.9 132.5 17.4 5.0 -5.1 71 71 A P + 0 0 114 0, 0.0 7,-0.1 0, 0.0 -4,-0.0 -0.320 63.5 131.4 -74.8 59.5 16.6 2.8 -2.0 72 72 A T - 0 0 80 -2,-2.4 6,-0.1 3,-0.1 0, 0.0 0.567 64.1-133.9 -88.6 -10.2 14.9 0.1 -4.1 73 73 A M S S+ 0 0 62 -3,-0.3 20,-0.1 2,-0.2 3,-0.1 0.733 72.8 120.3 62.8 20.7 16.8 -2.9 -2.5 74 74 A R S S+ 0 0 92 1,-0.3 2,-0.3 18,-0.1 75,-0.2 0.907 78.9 4.6 -80.1 -45.5 17.3 -4.2 -6.1 75 75 A R S S- 0 0 7 2,-0.1 -7,-0.6 18,-0.1 -1,-0.3 -0.985 110.5 -1.0-141.0 148.9 21.0 -4.2 -6.1 76 76 A G E S-CD 67 92A 0 16,-1.9 16,-2.1 -2,-0.3 2,-0.2 -0.238 98.5 -12.1 76.9-162.4 23.7 -3.5 -3.5 77 77 A F E - D 0 91A 18 -11,-3.0 -9,-0.4 -14,-0.3 2,-0.3 -0.542 57.2-179.0 -82.5 139.9 23.5 -2.4 0.2 78 78 A T E D 0 90A 15 12,-2.2 12,-2.4 -2,-0.2 -2,-0.0 -0.985 360.0 360.0-138.7 148.4 20.3 -1.2 1.8 79 79 A G 0 0 55 -2,-0.3 5,-1.0 10,-0.2 6,-0.5 -0.375 360.0 360.0-130.9 360.0 19.4 -0.0 5.3 80 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 81 91 A T 0 0 196 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 56.3 19.1 9.2 15.6 82 92 A G - 0 0 65 2,-0.0 2,-0.2 3,-0.0 0, 0.0 0.023 360.0-108.3 71.9 175.4 20.3 6.1 13.7 83 93 A S - 0 0 74 0, 0.0 3,-0.2 0, 0.0 0, 0.0 -0.402 35.7 -87.4-123.3-160.1 18.7 4.5 10.7 84 94 A Y S >> S+ 0 0 172 -5,-1.0 4,-1.6 1,-0.2 3,-1.5 0.465 113.1 78.9 -95.5 -3.7 16.8 1.3 9.9 85 95 A S T 34 S+ 0 0 29 -6,-0.5 -1,-0.2 1,-0.3 4,-0.1 0.805 84.8 65.7 -69.1 -27.1 19.9 -0.8 9.4 86 96 A D T 34 S+ 0 0 119 1,-0.2 -1,-0.3 -7,-0.2 -2,-0.1 0.332 110.3 36.9 -73.7 8.3 19.9 -0.7 13.2 87 97 A Y T <4 S- 0 0 130 -3,-1.5 -2,-0.3 1,-0.3 -1,-0.2 0.480 140.0 -22.8-128.1 -29.1 16.7 -2.7 12.6 88 98 A S < - 0 0 17 -4,-1.6 2,-0.3 66,-0.2 -1,-0.3 -0.769 53.1-147.4 174.4 138.3 17.9 -4.7 9.6 89 99 A M E - E 0 153A 28 64,-2.6 64,-2.4 -2,-0.2 2,-0.3 -0.850 19.0-162.0-114.2 152.6 20.5 -4.6 6.8 90 100 A C E -DE 78 152A 5 -12,-2.4 -12,-2.2 -2,-0.3 2,-0.4 -0.965 15.1-167.1-139.1 152.8 20.1 -6.0 3.3 91 101 A Y E -DE 77 151A 3 60,-2.6 60,-3.0 -2,-0.3 2,-0.3 -0.976 16.7-174.7-139.1 123.8 22.1 -7.0 0.2 92 102 A S E +DE 76 150A 0 -16,-2.1 -16,-1.9 -2,-0.4 7,-0.4 -0.821 7.4 165.6-120.3 157.9 20.6 -7.6 -3.2 93 103 A M E - E 0 149A 1 56,-2.0 56,-2.6 -2,-0.3 2,-0.2 -0.986 8.1-176.3-161.8 162.9 21.8 -8.9 -6.5 94 104 A G - 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