==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-SEP-03 1UO9 . COMPND 2 MOLECULE: DEACETOXYCEPHALOSPORIN C SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CLAVULIGERUS; . AUTHOR K.VALEGARD,A.C.TERWISSCHA VAN SCHELTINGA,A.DUBUS,L.M.OSTER, . 282 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 20.9 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 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 2 2 4 1 0 2 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 . 2 0 1 0 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 0 137 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.6 32.1 12.6 57.6 2 2 A D - 0 0 111 1,-0.1 182,-0.1 2,-0.0 0, 0.0 -0.445 360.0-154.4 -44.1 135.5 30.8 15.7 59.4 3 3 A T + 0 0 67 180,-0.1 2,-0.4 2,-0.1 -1,-0.1 -0.050 49.1 129.3-117.1 32.3 27.1 14.7 60.1 4 4 A T - 0 0 78 1,-0.0 180,-0.1 184,-0.0 -2,-0.0 -0.701 66.5-121.8 -82.1 141.1 26.0 18.2 60.1 5 5 A V - 0 0 22 -2,-0.4 27,-0.1 1,-0.1 -2,-0.1 -0.684 40.9-141.1 -81.4 112.0 23.0 19.2 58.0 6 6 A P - 0 0 30 0, 0.0 27,-3.0 0, 0.0 2,-0.4 -0.171 5.9-136.5 -77.2 166.5 24.5 21.9 55.8 7 7 A T E -a 33 0A 59 25,-0.2 2,-0.4 191,-0.0 27,-0.2 -0.997 17.4-171.7-119.2 132.0 23.1 25.2 54.6 8 8 A F E -a 34 0A 15 25,-2.5 27,-2.5 -2,-0.4 2,-0.5 -0.964 22.8-130.3-121.4 141.1 23.4 26.5 51.1 9 9 A S E > -a 35 0A 7 -2,-0.4 4,-2.2 25,-0.2 27,-0.2 -0.842 13.7-147.2 -82.6 119.8 22.4 30.0 49.7 10 10 A L H > S+ 0 0 7 25,-3.6 4,-2.6 -2,-0.5 5,-0.2 0.921 100.3 55.0 -58.2 -37.6 20.4 29.5 46.6 11 11 A A H > S+ 0 0 32 25,-0.8 4,-0.8 24,-0.3 -1,-0.2 0.879 108.8 47.6 -58.4 -46.9 21.8 32.7 45.2 12 12 A E H 4>S+ 0 0 76 2,-0.2 5,-2.2 1,-0.2 3,-0.4 0.903 110.4 50.3 -59.2 -41.9 25.4 31.3 45.7 13 13 A L H ><5S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.938 108.1 54.7 -62.5 -42.8 24.7 28.0 44.1 14 14 A Q H 3<5S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.704 104.2 54.9 -60.3 -22.6 23.2 29.9 41.1 15 15 A Q T 3<5S- 0 0 134 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.367 124.8-105.4 -94.4 3.9 26.4 31.8 40.8 16 16 A G T < 5S+ 0 0 38 -3,-2.3 3,-0.5 1,-0.3 -3,-0.2 0.610 72.3 142.6 86.6 13.2 28.4 28.4 40.6 17 17 A L < + 0 0 76 -5,-2.2 -1,-0.3 1,-0.2 5,-0.1 -0.502 58.0 14.4 -86.4 155.9 29.8 28.5 44.1 18 18 A H S > S+ 0 0 68 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 0.739 73.3 151.2 59.5 32.5 30.3 25.5 46.5 19 19 A Q H > + 0 0 32 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.920 68.6 46.9 -67.1 -45.3 29.8 22.9 43.8 20 20 A D H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 115.6 46.7 -57.9 -43.2 32.0 20.2 45.2 21 21 A E H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.854 111.9 50.4 -68.9 -34.1 30.4 20.6 48.6 22 22 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.920 111.4 49.0 -69.4 -45.6 26.9 20.7 47.1 23 23 A R H X S+ 0 0 89 -4,-2.8 4,-2.3 -5,-0.2 5,-0.2 0.903 111.5 49.0 -56.5 -45.4 27.6 17.5 45.2 24 24 A R H X S+ 0 0 121 -4,-2.1 4,-2.9 -5,-0.2 5,-0.4 0.947 110.5 50.3 -66.8 -40.9 28.9 15.8 48.2 25 25 A C H X>S+ 0 0 8 -4,-2.3 5,-2.7 1,-0.2 4,-2.5 0.950 110.2 51.4 -52.4 -49.8 25.9 16.9 50.3 26 26 A L H <5S+ 0 0 0 -4,-2.7 188,-2.7 3,-0.2 -2,-0.2 0.909 116.6 38.7 -59.8 -42.0 23.5 15.5 47.7 27 27 A R H <5S+ 0 0 131 -4,-2.3 -1,-0.2 186,-0.3 -2,-0.2 0.896 125.0 33.4 -77.8 -36.7 25.2 12.1 47.5 28 28 A D H <5S+ 0 0 49 -4,-2.9 156,-0.3 -5,-0.2 -2,-0.2 0.696 138.0 9.1 -94.5 -25.9 26.0 11.5 51.1 29 29 A K T <5 - 0 0 18 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.658 69.1-153.3-124.8 -44.7 23.1 13.2 52.9 30 30 A G < + 0 0 0 -5,-2.7 171,-2.8 1,-0.2 2,-0.3 0.707 67.6 81.8 72.9 19.9 20.4 14.3 50.4 31 31 A L E + B 0 200A 0 -6,-0.3 2,-0.3 169,-0.2 169,-0.2 -0.990 45.0 152.1-153.4 149.4 19.1 17.2 52.7 32 32 A F E - B 0 199A 0 167,-1.6 167,-2.9 -2,-0.3 2,-0.3 -0.958 42.4-103.9-167.5 157.2 20.1 20.7 53.4 33 33 A Y E -aB 7 198A 14 -27,-3.0 -25,-2.5 -2,-0.3 2,-0.5 -0.721 34.1-147.8 -87.5 149.8 18.7 24.0 54.5 34 34 A L E +aB 8 197A 0 163,-2.7 163,-2.1 -2,-0.3 -25,-0.2 -0.983 16.8 179.9-125.9 115.1 18.3 26.6 51.8 35 35 A T E +a 9 0A 22 -27,-2.5 -25,-3.6 -2,-0.5 -24,-0.3 -0.592 62.8 36.6-101.7 175.1 18.7 30.4 52.4 36 36 A D S S+ 0 0 103 159,-0.5 -25,-0.8 -27,-0.2 -1,-0.2 0.916 77.4 121.9 49.6 46.8 18.4 33.2 50.0 37 37 A C S S- 0 0 17 -3,-0.2 -1,-0.1 -27,-0.2 80,-0.1 0.175 87.3 -98.2-127.0 13.3 15.5 31.5 48.0 38 38 A G S S+ 0 0 62 1,-0.1 2,-0.7 75,-0.1 75,-0.1 0.545 86.5 122.1 78.9 10.9 12.7 34.1 48.3 39 39 A L - 0 0 16 156,-0.1 -1,-0.1 72,-0.1 -2,-0.1 -0.800 41.0-174.0-106.5 97.4 10.9 32.4 51.2 40 40 A T > - 0 0 46 -2,-0.7 4,-1.4 1,-0.1 155,-0.1 -0.298 34.1-130.1 -89.2 167.9 10.6 34.7 54.3 41 41 A D H > S+ 0 0 40 2,-0.2 4,-2.6 3,-0.1 -1,-0.1 0.793 107.7 61.2 -75.2 -32.4 9.4 33.9 57.7 42 42 A T H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.928 108.4 42.4 -63.5 -45.7 7.1 37.0 57.5 43 43 A E H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 5,-0.4 0.924 109.3 57.5 -61.6 -50.9 5.2 35.6 54.6 44 44 A L H X S+ 0 0 3 -4,-1.4 4,-3.1 1,-0.2 5,-0.2 0.963 108.8 48.5 -41.1 -52.3 5.2 32.1 56.1 45 45 A K H X S+ 0 0 51 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.827 107.7 53.0 -64.4 -30.6 3.4 33.8 59.1 46 46 A S H X S+ 0 0 54 -4,-1.5 4,-1.8 -3,-0.2 -1,-0.2 0.900 115.3 40.5 -70.9 -41.5 0.8 35.7 56.9 47 47 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.942 117.4 49.9 -68.5 -43.6 -0.2 32.5 55.1 48 48 A K H X S+ 0 0 46 -4,-3.1 4,-2.6 -5,-0.4 5,-0.3 0.904 109.3 51.9 -60.0 -48.1 -0.1 30.5 58.4 49 49 A D H X S+ 0 0 95 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.940 110.4 46.2 -55.1 -48.0 -2.2 33.1 60.2 50 50 A L H X S+ 0 0 40 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.875 115.6 45.7 -69.2 -32.3 -5.0 33.2 57.7 51 51 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.887 111.6 51.4 -79.8 -33.7 -5.2 29.4 57.4 52 52 A I H X S+ 0 0 22 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.914 108.5 53.0 -65.9 -38.6 -5.1 28.9 61.2 53 53 A D H X>S+ 0 0 77 -4,-2.4 4,-3.2 -5,-0.3 5,-0.6 0.923 110.9 47.1 -60.4 -42.5 -7.9 31.4 61.5 54 54 A F H X5S+ 0 0 15 -4,-1.9 4,-2.0 3,-0.2 -2,-0.2 0.943 112.2 48.9 -63.7 -48.4 -9.9 29.3 59.0 55 55 A F H <5S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.920 120.0 38.7 -54.0 -46.2 -9.1 26.1 60.9 56 56 A E H <5S+ 0 0 121 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.897 132.9 17.8 -70.9 -50.0 -10.1 27.6 64.2 57 57 A H H <5S+ 0 0 127 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.506 86.9 115.3-113.4 -11.5 -13.1 29.8 63.3 58 58 A G << - 0 0 9 -4,-2.0 2,-0.1 -5,-0.6 -4,-0.0 -0.442 63.8-127.2 -60.7 137.4 -14.4 28.5 59.9 59 59 A S > - 0 0 54 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.313 25.4-102.6 -78.6 164.4 -17.9 27.0 60.3 60 60 A E H > S+ 0 0 137 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.891 123.4 52.9 -57.7 -40.6 -18.7 23.6 59.0 61 61 A A H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 109.1 48.1 -62.3 -40.7 -20.4 25.1 56.0 62 62 A E H 4 S+ 0 0 105 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.888 114.9 46.9 -62.5 -39.1 -17.4 27.2 55.1 63 63 A K H >< S+ 0 0 19 -4,-2.3 3,-1.5 1,-0.2 14,-0.3 0.917 109.3 52.6 -71.3 -47.6 -15.2 24.2 55.5 64 64 A R H >< S+ 0 0 173 -4,-3.3 3,-1.7 1,-0.3 -1,-0.2 0.849 101.8 61.4 -53.7 -38.4 -17.5 22.0 53.5 65 65 A A T 3< S+ 0 0 79 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.686 111.4 39.3 -65.8 -16.8 -17.4 24.5 50.6 66 66 A V T < S+ 0 0 6 -3,-1.5 11,-2.8 -4,-0.4 2,-0.5 0.019 95.2 100.9-122.6 28.7 -13.7 24.0 50.3 67 67 A T B < S-C 76 0A 60 -3,-1.7 9,-0.1 9,-0.2 11,-0.1 -0.940 70.4-127.1-115.3 126.4 -13.6 20.2 50.9 68 68 A S - 0 0 27 7,-0.6 -2,-0.1 -2,-0.5 5,-0.1 -0.344 21.0-119.7 -65.3 152.7 -13.3 17.8 47.9 69 69 A P S S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.744 105.4 51.6 -73.4 -15.8 -15.8 15.1 47.6 70 70 A V S S- 0 0 92 0, 0.0 2,-2.1 0, 0.0 3,-0.3 -0.967 92.1-128.2-110.6 134.0 -13.1 12.5 47.8 71 71 A P + 0 0 113 0, 0.0 7,-0.0 0, 0.0 -4,-0.0 -0.356 61.8 130.5 -88.4 68.7 -10.8 13.0 50.9 72 72 A T - 0 0 71 -2,-2.1 6,-0.1 3,-0.1 0, 0.0 0.521 66.2-127.2 -94.8 -11.8 -7.5 12.8 49.2 73 73 A M S S+ 0 0 32 -3,-0.3 15,-0.1 2,-0.2 3,-0.1 0.782 76.1 119.7 68.6 27.1 -5.8 16.0 50.6 74 74 A R S S+ 0 0 91 1,-0.3 2,-0.3 13,-0.1 70,-0.2 0.838 78.7 7.5 -84.4 -49.2 -5.1 17.1 47.0 75 75 A R S S- 0 0 13 2,-0.1 -7,-0.6 13,-0.1 -1,-0.3 -0.992 109.7 -7.6-136.6 145.0 -7.0 20.4 47.2 76 76 A G E S-CD 67 87A 0 11,-2.3 11,-2.2 -2,-0.3 2,-0.2 -0.261 97.9 -11.4 77.3-156.0 -8.7 22.4 49.9 77 77 A F E - D 0 86A 17 -11,-2.8 2,-0.4 -14,-0.3 -9,-0.4 -0.562 49.3-174.8 -90.6 140.3 -9.5 21.5 53.5 78 78 A T E - D 0 85A 16 7,-2.3 7,-2.6 -2,-0.2 2,-0.7 -0.963 18.5-150.1-135.0 122.5 -9.1 18.1 55.1 79 79 A G E - D 0 84A 53 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.814 44.3-153.5 -84.4 120.6 -10.2 17.4 58.7 80 80 A L 0 0 61 3,-2.7 -1,-0.0 -2,-0.7 -2,-0.0 -0.347 360.0 360.0-112.1 174.9 -7.6 14.7 59.4 81 81 A E 0 0 203 -2,-0.1 -1,-0.0 3,-0.0 0, 0.0 -0.643 360.0 360.0-133.8 360.0 -6.6 11.5 61.3 82 ! 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 83 98 A S 0 0 44 0, 0.0 -3,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 168.1 -4.8 17.3 62.6 84 99 A M E -DE 79 148A 43 64,-1.5 64,-2.8 -5,-0.2 2,-0.3 -0.977 360.0-165.8-126.5 144.6 -6.2 19.7 59.9 85 100 A C E -DE 78 147A 1 -7,-2.6 -7,-2.3 -2,-0.3 2,-0.4 -0.950 14.9-162.4-133.9 152.5 -4.7 20.2 56.5 86 101 A Y E -DE 77 146A 1 60,-2.1 60,-2.9 -2,-0.3 2,-0.3 -0.994 18.7-170.2-133.5 127.6 -5.0 22.6 53.6 87 102 A S E +DE 76 145A 0 -11,-2.2 -11,-2.3 -2,-0.4 7,-0.4 -0.868 10.1 163.1-122.3 149.7 -3.7 21.7 50.1 88 103 A M E + E 0 144A 2 56,-2.4 56,-3.0 -2,-0.3 2,-0.2 -0.988 8.5 176.3-153.5 164.2 -3.2 23.4 46.9 89 104 A G - 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