==== 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 OXIDOREDUCTASE 30-JUN-04 1W28 . COMPND 2 MOLECULE: DEACETOXYCEPHALOSPORIN C SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CLAVULIGERUS; . AUTHOR L.M.OSTER,A.C.TERWISSCHA VAN SCHELTINGA,K.VALEGARD,A.MACKENZ . 272 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13489.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 18.8 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 . 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 . 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 . 17 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 2 3 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 . 1 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 0 3 3 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 . 1 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 0 217 0, 0.0 2,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -19.5 71.0 5.3 0.4 2 2 A D + 0 0 95 1,-0.2 185,-0.1 183,-0.1 184,-0.0 -0.752 360.0 147.6 -83.6 95.6 70.1 8.8 1.5 3 3 A T + 0 0 47 -2,-1.2 2,-0.2 182,-0.1 -1,-0.2 0.296 28.8 111.8-114.1 4.8 72.3 8.9 4.6 4 4 A T - 0 0 89 -3,-0.1 181,-0.0 181,-0.0 185,-0.0 -0.513 58.8-138.3 -83.3 152.3 73.3 12.6 4.7 5 5 A V - 0 0 18 -2,-0.2 27,-0.1 179,-0.0 -2,-0.0 -0.949 23.0-140.1-108.0 119.4 72.1 15.0 7.4 6 6 A P - 0 0 22 0, 0.0 27,-2.8 0, 0.0 2,-0.4 -0.187 4.1-136.7 -74.7 165.4 71.1 18.4 6.1 7 7 A T E -a 33 0A 62 25,-0.2 2,-0.3 192,-0.0 27,-0.2 -0.990 21.0-178.1-120.9 135.6 71.7 21.9 7.6 8 8 A F E -a 34 0A 6 25,-2.2 27,-2.4 -2,-0.4 2,-0.5 -0.949 26.8-126.3-126.7 152.2 69.1 24.7 7.7 9 9 A S E > -a 35 0A 8 -2,-0.3 4,-2.1 25,-0.2 27,-0.2 -0.876 15.6-145.5 -92.0 127.6 69.2 28.2 9.0 10 10 A L H > S+ 0 0 7 25,-2.7 4,-2.5 -2,-0.5 5,-0.2 0.894 100.2 54.5 -56.5 -44.0 66.4 28.8 11.5 11 11 A A H > S+ 0 0 32 25,-0.5 4,-1.4 24,-0.3 -1,-0.2 0.896 108.6 49.0 -59.2 -42.2 66.1 32.4 10.3 12 12 A E H 4>S+ 0 0 77 2,-0.2 5,-2.2 1,-0.2 -1,-0.2 0.877 109.7 50.2 -66.5 -40.3 65.6 31.2 6.8 13 13 A L H ><5S+ 0 0 4 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.913 107.9 54.8 -62.1 -40.4 63.0 28.6 7.8 14 14 A Q H 3<5S+ 0 0 107 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.788 104.1 55.2 -64.5 -29.0 61.2 31.4 9.7 15 15 A Q T 3<5S- 0 0 135 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.345 123.6-106.3 -79.4 0.6 61.1 33.4 6.4 16 16 A G T X 5S+ 0 0 29 -3,-2.0 3,-0.5 1,-0.3 2,-0.2 0.650 71.9 142.5 81.5 16.9 59.4 30.4 4.7 17 17 A L T 3 < + 0 0 78 -5,-2.2 -1,-0.3 1,-0.2 5,-0.1 -0.574 62.9 13.8 -86.7 154.6 62.4 29.2 2.7 18 18 A H T 3> S+ 0 0 81 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 0.768 75.6 153.2 54.7 32.0 63.2 25.5 2.0 19 19 A Q H <> + 0 0 99 -3,-0.5 4,-2.6 1,-0.2 5,-0.2 0.906 69.5 45.7 -54.9 -47.4 59.6 24.5 3.2 20 20 A D H > S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 114.6 46.0 -70.7 -42.5 59.5 21.3 1.1 21 21 A E H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 113.4 49.7 -65.2 -41.8 63.0 20.1 1.9 22 22 A F H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.944 112.0 48.9 -64.1 -44.7 62.5 20.8 5.7 23 23 A R H X S+ 0 0 76 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.880 112.5 47.4 -61.3 -38.7 59.2 18.9 5.6 24 24 A R H X S+ 0 0 137 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.868 110.0 52.9 -72.3 -38.0 60.7 15.9 3.8 25 25 A C H X>S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 5,-2.4 0.954 109.5 49.5 -60.8 -48.7 63.7 15.9 6.2 26 26 A L H <5S+ 0 0 0 -4,-2.3 189,-2.9 3,-0.2 -2,-0.2 0.902 115.6 42.8 -54.4 -46.6 61.2 15.8 9.2 27 27 A R H <5S+ 0 0 114 -4,-1.9 -1,-0.2 187,-0.3 -2,-0.2 0.858 127.1 27.6 -70.1 -39.8 59.2 12.9 7.7 28 28 A D H <5S+ 0 0 80 -4,-2.4 157,-0.4 -5,-0.1 -2,-0.2 0.577 138.4 12.6-103.0 -19.8 62.1 10.8 6.5 29 29 A K T <5 - 0 0 20 -4,-2.7 -3,-0.2 -5,-0.3 -4,-0.1 0.660 68.9-154.5-128.8 -48.2 65.0 11.6 8.7 30 30 A G < + 0 0 0 -5,-2.4 172,-3.0 1,-0.2 2,-0.3 0.720 66.9 82.3 69.4 22.5 63.9 13.6 11.8 31 31 A L E + B 0 201A 0 -6,-0.3 2,-0.3 170,-0.2 170,-0.2 -0.978 44.6 151.4-151.1 160.5 67.3 15.2 12.3 32 32 A F E - B 0 200A 0 168,-1.5 168,-2.8 -2,-0.3 2,-0.3 -0.928 42.4-103.6-177.3 148.3 69.2 18.2 10.9 33 33 A Y E -aB 7 199A 5 -27,-2.8 -25,-2.2 -2,-0.3 2,-0.4 -0.658 36.3-153.3 -80.5 151.9 71.9 20.7 11.8 34 34 A L E -aB 8 198A 0 164,-2.6 164,-2.7 -2,-0.3 2,-0.2 -0.994 13.3-177.7-136.5 123.3 70.6 24.2 12.6 35 35 A T E +a 9 0A 35 -27,-2.4 -25,-2.7 -2,-0.4 -24,-0.3 -0.673 63.7 35.6-107.3 171.5 72.4 27.5 12.3 36 36 A D S S+ 0 0 108 160,-0.5 -25,-0.5 -2,-0.2 -1,-0.2 0.873 73.5 126.3 55.1 47.8 71.2 31.1 13.1 37 37 A C S S- 0 0 16 2,-0.3 81,-0.1 -3,-0.2 -1,-0.1 0.105 86.1 -93.7-124.8 19.4 69.3 30.0 16.2 38 38 A G S S+ 0 0 40 1,-0.3 2,-0.4 77,-0.0 77,-0.1 0.724 88.1 118.7 82.5 22.2 70.8 32.3 18.8 39 39 A L - 0 0 26 157,-0.1 2,-0.4 76,-0.1 -1,-0.3 -0.911 44.2-160.9-116.8 142.5 73.4 29.9 20.1 40 40 A T > - 0 0 48 -2,-0.4 4,-1.4 1,-0.1 5,-0.1 -0.956 27.1-135.6-122.2 148.4 77.1 30.7 19.9 41 41 A D H > S+ 0 0 22 -2,-0.4 4,-2.5 2,-0.2 5,-0.1 0.834 109.5 59.5 -56.6 -37.6 80.2 28.4 20.2 42 42 A T H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.938 104.1 47.4 -62.1 -47.5 81.6 31.1 22.5 43 43 A E H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.840 111.1 52.2 -64.7 -33.3 78.8 30.8 25.0 44 44 A L H X S+ 0 0 2 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.940 109.3 50.0 -65.4 -43.8 79.1 27.0 24.9 45 45 A K H X S+ 0 0 58 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.877 110.9 48.8 -63.2 -40.1 82.9 27.4 25.6 46 46 A S H X S+ 0 0 58 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.898 112.5 46.6 -67.3 -39.3 82.3 29.7 28.6 47 47 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.947 116.2 46.9 -68.2 -44.4 79.7 27.5 30.2 48 48 A K H X S+ 0 0 43 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.923 109.9 53.4 -57.5 -50.1 82.0 24.5 29.6 49 49 A D H X S+ 0 0 94 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.886 107.6 49.0 -57.0 -48.8 85.1 26.3 31.0 50 50 A L H X S+ 0 0 43 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.860 112.4 47.9 -65.6 -35.6 83.5 27.3 34.3 51 51 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.934 113.0 48.1 -69.3 -39.4 82.2 23.7 34.9 52 52 A I H X S+ 0 0 16 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.896 107.9 56.5 -65.7 -35.6 85.6 22.2 34.1 53 53 A D H X S+ 0 0 85 -4,-2.4 4,-2.1 -5,-0.2 5,-0.3 0.916 109.4 45.7 -57.0 -47.3 87.1 24.8 36.4 54 54 A F H X S+ 0 0 16 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.913 109.8 54.2 -63.2 -42.4 84.9 23.5 39.1 55 55 A F H < S+ 0 0 45 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.949 118.6 35.3 -56.8 -46.0 85.7 19.9 38.3 56 56 A E H < S+ 0 0 110 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.739 132.4 22.6 -79.5 -28.3 89.4 20.6 38.6 57 57 A H H < S+ 0 0 129 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.556 85.5 110.0-127.2 -13.2 89.5 23.1 41.5 58 58 A G < - 0 0 9 -4,-2.2 -4,-0.0 -5,-0.3 2,-0.0 -0.401 68.8-116.6 -63.4 145.6 86.4 22.8 43.6 59 59 A S > - 0 0 52 1,-0.1 4,-1.5 -2,-0.1 5,-0.1 -0.215 26.5-104.2 -74.5 172.7 87.1 21.4 47.1 60 60 A E H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.903 121.6 50.2 -65.5 -40.0 85.6 18.1 48.2 61 61 A A H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.882 109.6 49.4 -67.1 -40.1 83.0 19.9 50.4 62 62 A E H > S+ 0 0 106 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.846 111.2 51.1 -65.1 -35.5 81.9 22.3 47.6 63 63 A K H >< S+ 0 0 22 -4,-1.5 3,-0.8 1,-0.2 14,-0.2 0.915 108.7 49.8 -71.6 -43.6 81.5 19.3 45.3 64 64 A R H >< S+ 0 0 181 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.873 105.0 59.1 -60.1 -38.8 79.3 17.4 47.8 65 65 A A H 3< S+ 0 0 75 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.673 114.3 35.5 -70.0 -19.8 77.1 20.4 48.3 66 66 A V T << S+ 0 0 8 -3,-0.8 11,-2.2 -4,-0.6 2,-0.3 0.185 94.0 113.3-114.8 13.4 76.1 20.5 44.6 67 67 A T B < S-c 77 0A 50 -3,-1.2 11,-0.2 9,-0.2 9,-0.1 -0.700 79.2-104.9 -87.1 136.5 76.1 16.7 44.0 68 68 A S - 0 0 10 9,-2.2 8,-0.1 -2,-0.3 -1,-0.1 -0.445 23.5-145.8 -57.0 119.5 72.8 15.0 43.2 69 69 A P S S+ 0 0 128 0, 0.0 -1,-0.2 0, 0.0 7,-0.0 0.894 91.9 10.1 -60.6 -38.5 71.9 13.1 46.5 70 70 A V S > S- 0 0 74 3,-0.1 3,-1.8 1,-0.1 0, 0.0 -0.990 80.2-129.1-136.0 131.5 70.4 10.4 44.2 71 71 A P T 3 S+ 0 0 94 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.782 103.4 71.6 -48.7 -37.4 71.0 10.4 40.4 72 72 A T T 3 S+ 0 0 111 2,-0.1 2,-0.7 -4,-0.1 -4,-0.0 0.792 82.6 78.2 -48.6 -39.0 67.2 10.0 39.7 73 73 A M S < S- 0 0 41 -3,-1.8 2,-1.2 1,-0.1 -3,-0.1 -0.742 84.6-150.9 -66.8 114.7 67.0 13.6 40.8 74 74 A R + 0 0 121 -2,-0.7 2,-0.3 13,-0.0 -2,-0.1 -0.416 58.7 102.0 -97.1 58.0 68.3 15.1 37.6 75 75 A R S S+ 0 0 55 -2,-1.2 14,-0.2 2,-0.1 2,-0.2 -0.994 70.4 1.7-142.8 133.5 69.9 18.2 39.2 76 76 A G E S- D 0 88A 0 12,-2.2 12,-2.4 -2,-0.3 -9,-0.2 -0.531 95.0 -29.0 90.7-158.7 73.5 19.0 40.0 77 77 A F E -cD 67 87A 0 -11,-2.2 -9,-2.2 10,-0.2 2,-0.3 -0.620 41.2-175.6 -99.0 153.2 76.6 16.9 39.4 78 78 A T E + D 0 86A 45 8,-1.8 8,-2.3 -2,-0.2 -2,-0.0 -0.960 69.9 29.6-134.5 151.7 77.4 13.2 39.1 79 79 A G S S+ 0 0 49 -2,-0.3 -1,-0.0 6,-0.2 -12,-0.0 0.672 70.4 127.8 79.0 20.7 80.9 11.7 38.7 80 80 A L 0 0 11 1,-0.1 5,-0.1 6,-0.1 -16,-0.1 0.805 360.0 360.0 -74.0 -31.2 82.9 14.4 40.5 81 81 A E 0 0 142 -18,-0.1 -1,-0.1 -21,-0.0 -21,-0.1 0.463 360.0 360.0 43.0 360.0 84.6 11.8 42.8 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 97 A Y 0 0 241 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 -57.2 84.5 8.0 32.1 84 98 A S - 0 0 18 66,-0.2 2,-0.4 64,-0.0 66,-0.2 -0.966 360.0-141.7-141.2 147.5 82.4 11.2 32.5 85 99 A M E - E 0 149A 1 64,-2.5 64,-2.5 -2,-0.3 2,-0.4 -0.883 26.5-155.6-101.8 146.5 81.1 13.9 34.8 86 100 A C E -DE 78 148A 0 -8,-2.3 -8,-1.8 -2,-0.4 2,-0.4 -0.949 12.8-166.9-123.8 137.6 77.6 15.2 34.3 87 101 A Y E -DE 77 147A 1 60,-2.9 60,-3.1 -2,-0.4 2,-0.3 -0.994 16.4-167.8-122.4 127.8 75.9 18.5 35.2 88 102 A S E +DE 76 146A 4 -12,-2.4 -12,-2.2 -2,-0.4 7,-0.4 -0.891 7.9 178.9-121.7 144.0 72.1 18.6 35.0 89 103 A M E + E 0 145A 3 56,-2.3 56,-2.9 -2,-0.3 2,-0.2 -0.989 4.9 177.7-140.7 146.1 69.6 21.4 35.1 90 104 A G - 0 0 1 -2,-0.3 54,-0.1 2,-0.3 4,-0.1 -0.558 53.6 -79.1-124.7-159.8 65.9 22.0 34.9 91 105 A T S S+ 0 0 87 52,-0.4 2,-0.3 -2,-0.2 3,-0.1 0.676 109.4 3.1 -80.9 -15.5 63.6 24.9 35.1 92 106 A A S S+ 0 0 47 1,-0.1 -2,-0.3 0, 0.0 -1,-0.1 -0.937 107.0 51.0-156.4 172.7 63.7 25.0 38.9 93 107 A D S S+ 0 0 142 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.847 72.6 164.1 60.7 36.5 65.4 23.3 41.9 94 108 A N - 0 0 35 -4,-0.1 2,-0.5 -3,-0.1 -1,-0.2 -0.484 34.5-136.0 -85.6 158.3 68.9 23.7 40.5 95 109 A L + 0 0 54 -7,-0.4 -19,-0.2 -2,-0.1 -29,-0.1 -0.974 25.1 176.9-115.6 122.5 72.3 23.3 42.3 96 110 A F - 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