==== 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 07-JUL-04 1W2N . 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 . 277 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 66.4 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 . 52 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 . 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 . 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 . 23 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 3 1 1 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 0 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 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 0 230 0, 0.0 2,-0.9 0, 0.0 190,-0.0 0.000 360.0 360.0 360.0 -58.6 70.4 5.3 0.2 2 2 A D + 0 0 96 1,-0.1 190,-0.1 2,-0.0 189,-0.0 -0.596 360.0 153.1 -83.0 101.4 70.3 8.9 1.7 3 3 A T + 0 0 53 -2,-0.9 2,-0.2 188,-0.1 -1,-0.1 0.113 31.8 112.5-117.9 24.0 72.7 9.4 4.7 4 4 A T - 0 0 92 190,-0.0 190,-0.0 186,-0.0 186,-0.0 -0.641 55.5-139.9 -96.6 154.8 73.5 13.1 4.7 5 5 A V - 0 0 19 -2,-0.2 27,-0.1 184,-0.0 -2,-0.0 -0.964 20.2-138.1-117.4 116.3 72.4 15.6 7.4 6 6 A P - 0 0 35 0, 0.0 27,-2.1 0, 0.0 2,-0.4 -0.296 4.5-140.6 -73.6 154.7 71.3 19.0 6.3 7 7 A T E -a 33 0A 62 25,-0.2 2,-0.3 27,-0.0 27,-0.2 -0.902 21.8-178.9-105.4 140.5 72.1 22.4 7.9 8 8 A F E -a 34 0A 17 25,-1.2 27,-1.7 -2,-0.4 2,-0.4 -0.997 25.8-130.4-136.3 144.2 69.5 25.1 8.1 9 9 A S E > -a 35 0A 8 -2,-0.3 4,-1.8 25,-0.2 27,-0.2 -0.771 14.1-146.0 -81.6 136.7 69.6 28.7 9.5 10 10 A L H > S+ 0 0 9 25,-1.9 4,-2.6 -2,-0.4 5,-0.2 0.863 100.5 54.7 -69.8 -42.0 66.6 29.3 11.8 11 11 A A H > S+ 0 0 35 25,-0.6 4,-1.0 24,-0.2 -1,-0.2 0.980 108.9 49.3 -51.8 -53.3 66.4 33.0 10.7 12 12 A E H >4>S+ 0 0 80 1,-0.2 5,-1.8 2,-0.2 3,-0.8 0.898 110.9 49.7 -57.2 -41.7 66.1 31.7 7.1 13 13 A L H ><5S+ 0 0 7 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.907 105.3 56.4 -63.8 -41.3 63.3 29.2 8.2 14 14 A Q H 3<5S+ 0 0 108 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.662 101.9 59.3 -63.8 -16.6 61.3 31.9 10.0 15 15 A Q T <<5S- 0 0 142 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.082 123.4-103.5 -98.7 22.2 61.3 33.8 6.7 16 16 A G T X 5S+ 0 0 25 -3,-1.6 3,-0.6 1,-0.2 -3,-0.2 0.513 73.7 144.9 70.6 8.4 59.5 31.0 4.9 17 17 A L T 3 < + 0 0 81 -5,-1.8 -1,-0.2 1,-0.2 -2,-0.0 -0.285 60.7 11.5 -74.3 162.1 62.6 29.8 3.1 18 18 A H T 3> S+ 0 0 80 1,-0.1 4,-1.9 3,-0.1 5,-0.2 0.709 73.0 158.6 47.7 32.0 63.4 26.1 2.3 19 19 A Q H <> S+ 0 0 107 -3,-0.6 4,-1.9 1,-0.2 5,-0.1 0.859 71.4 41.6 -52.3 -45.4 59.9 24.9 3.2 20 20 A D H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.958 112.2 52.3 -72.5 -48.7 60.0 21.7 1.2 21 21 A E H > S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.870 115.3 44.1 -52.7 -36.8 63.6 20.7 2.1 22 22 A F H X S+ 0 0 7 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.848 110.8 52.2 -82.7 -36.9 62.7 21.1 5.8 23 23 A R H X S+ 0 0 79 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.935 113.5 44.7 -61.8 -45.6 59.3 19.4 5.7 24 24 A R H X S+ 0 0 132 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.895 109.2 56.2 -68.5 -43.2 60.9 16.3 4.0 25 25 A C H X>S+ 0 0 6 -4,-1.7 5,-1.8 -5,-0.3 4,-1.8 0.880 107.5 49.3 -54.8 -42.4 63.9 16.3 6.4 26 26 A L H <5S+ 0 0 1 -4,-1.6 194,-2.6 3,-0.2 -1,-0.2 0.942 115.1 42.4 -67.6 -46.6 61.6 16.1 9.4 27 27 A R H <5S+ 0 0 110 -4,-1.8 -2,-0.2 192,-0.3 -1,-0.2 0.836 125.9 33.3 -65.7 -34.6 59.5 13.2 8.0 28 28 A D H <5S+ 0 0 79 -4,-2.6 162,-0.4 -5,-0.1 -2,-0.2 0.499 137.1 8.9-105.3 -11.0 62.5 11.2 6.7 29 29 A K T <5 - 0 0 15 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.568 68.0-151.1-141.9 -35.7 65.3 11.9 9.1 30 30 A G < + 0 0 0 -5,-1.8 177,-2.6 -4,-0.2 2,-0.3 0.614 68.7 87.5 61.0 12.9 64.1 13.8 12.2 31 31 A L E + B 0 206A 0 -6,-0.4 2,-0.3 175,-0.2 175,-0.2 -0.997 43.8 151.8-144.7 152.9 67.5 15.4 12.6 32 32 A F E - B 0 205A 1 173,-1.8 173,-1.9 -2,-0.3 -25,-0.2 -0.955 38.3-113.6-170.0 148.1 69.4 18.5 11.4 33 33 A Y E -aB 7 204A 2 -27,-2.1 -25,-1.2 -2,-0.3 2,-0.3 -0.506 34.6-155.3 -79.7 160.9 72.1 20.9 12.2 34 34 A L E -aB 8 203A 1 169,-1.2 169,-1.0 -27,-0.2 3,-0.2 -0.920 12.8-174.8-148.0 117.1 71.1 24.5 12.8 35 35 A T E +a 9 0A 36 -27,-1.7 -25,-1.9 -2,-0.3 -24,-0.2 -0.402 63.8 39.4 -93.0 179.8 72.8 27.9 12.5 36 36 A D S S+ 0 0 107 165,-0.3 -25,-0.6 -27,-0.2 2,-0.3 0.831 75.8 124.0 48.6 44.2 71.6 31.5 13.4 37 37 A C S S- 0 0 18 -3,-0.2 2,-3.5 2,-0.2 -1,-0.2 -0.916 84.2 -88.8-122.4 154.3 69.8 30.6 16.5 38 38 A G S S+ 0 0 40 -2,-0.3 2,-0.3 -3,-0.1 78,-0.1 -0.016 91.7 105.8 -72.5 42.1 71.0 32.6 19.5 39 39 A L - 0 0 28 -2,-3.5 2,-0.3 162,-0.1 -2,-0.2 -0.783 46.9-164.2-112.1 162.5 73.8 30.3 20.6 40 40 A T > - 0 0 50 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.983 33.1-126.4-144.6 147.9 77.5 30.7 20.3 41 41 A D H > S+ 0 0 24 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.907 114.1 57.2 -57.6 -36.9 80.6 28.6 20.6 42 42 A T H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.941 100.8 50.4 -63.6 -56.1 81.8 31.2 23.0 43 43 A E H > S+ 0 0 44 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.919 115.5 47.9 -41.2 -49.5 78.9 31.0 25.5 44 44 A L H X S+ 0 0 4 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.923 107.4 51.9 -63.6 -50.6 79.5 27.3 25.5 45 45 A K H X S+ 0 0 67 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.915 111.7 49.5 -53.0 -40.6 83.3 27.5 26.0 46 46 A S H X S+ 0 0 65 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.809 110.8 46.9 -74.5 -31.2 82.7 29.8 29.0 47 47 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.931 116.2 46.5 -71.8 -47.2 80.1 27.6 30.7 48 48 A K H X S+ 0 0 43 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.933 109.3 54.1 -54.6 -50.8 82.4 24.6 30.1 49 49 A D H X S+ 0 0 85 -4,-3.2 4,-1.9 1,-0.3 -1,-0.2 0.893 108.6 50.2 -60.1 -36.9 85.5 26.5 31.3 50 50 A L H X S+ 0 0 41 -4,-1.4 4,-1.5 2,-0.2 -1,-0.3 0.863 110.8 47.1 -68.9 -40.3 83.7 27.3 34.6 51 51 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 -3,-0.3 -2,-0.2 0.914 112.9 48.4 -62.6 -47.9 82.6 23.7 35.2 52 52 A I H X S+ 0 0 21 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.870 106.8 58.9 -63.4 -36.9 86.0 22.2 34.5 53 53 A D H X S+ 0 0 91 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.935 110.0 42.2 -52.2 -50.9 87.5 24.9 36.8 54 54 A F H X S+ 0 0 20 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.922 108.4 58.9 -66.7 -45.2 85.3 23.6 39.6 55 55 A F H < S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.891 116.8 34.0 -47.9 -46.3 86.0 19.9 38.8 56 56 A E H < S+ 0 0 114 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.785 129.2 28.7 -82.6 -34.1 89.8 20.5 39.3 57 57 A H H < S+ 0 0 138 -4,-2.1 2,-0.3 -5,-0.2 -2,-0.2 0.355 83.7 120.8-119.6 4.4 90.0 23.1 42.1 58 58 A G < - 0 0 9 -4,-2.1 -4,-0.0 -5,-0.2 0, 0.0 -0.560 66.2-112.6 -78.4 130.5 87.0 22.6 44.2 59 59 A S > - 0 0 50 -2,-0.3 4,-1.6 1,-0.1 -1,-0.1 -0.070 25.9-115.7 -42.6 156.7 87.5 21.7 47.9 60 60 A E H > S+ 0 0 154 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.876 117.4 47.3 -69.7 -36.6 86.4 18.2 48.9 61 61 A A H > S+ 0 0 70 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.870 108.2 53.5 -73.2 -42.9 83.7 19.8 51.1 62 62 A E H > S+ 0 0 98 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.922 108.4 52.0 -54.5 -49.1 82.4 22.2 48.5 63 63 A K H >X S+ 0 0 27 -4,-1.6 3,-1.3 1,-0.2 4,-1.1 0.911 105.7 53.0 -57.5 -47.3 82.0 19.3 46.1 64 64 A R H >< S+ 0 0 218 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.929 101.9 61.5 -52.5 -44.8 79.9 17.2 48.7 65 65 A A H 3< S+ 0 0 76 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.626 116.6 29.3 -64.6 -16.2 77.5 20.2 49.1 66 66 A V H << S+ 0 0 11 -3,-1.3 11,-1.6 -4,-0.6 -1,-0.3 0.323 87.0 114.9-128.1 7.1 76.5 20.1 45.4 67 67 A T B << S-c 77 0A 41 -4,-1.1 11,-0.2 -3,-1.0 9,-0.1 -0.519 84.5 -89.9 -66.9 147.0 76.9 16.4 44.5 68 68 A S - 0 0 21 9,-2.1 8,-0.1 -2,-0.2 -1,-0.1 -0.423 29.3-144.1 -64.3 129.5 73.5 15.0 43.6 69 69 A P S S- 0 0 107 0, 0.0 -1,-0.1 0, 0.0 7,-0.0 0.882 80.3 -1.9 -65.3 -39.8 71.8 13.5 46.7 70 70 A V S > S- 0 0 75 3,-0.2 3,-1.5 1,-0.0 0, 0.0 -0.986 74.3-108.3-149.6 141.1 70.1 10.6 44.8 71 71 A P T 3 S+ 0 0 124 0, 0.0 -3,-0.0 0, 0.0 -1,-0.0 0.754 118.6 61.8 -37.4 -35.9 70.0 9.5 41.0 72 72 A T T 3 S+ 0 0 121 1,-0.1 2,-1.2 2,-0.1 -4,-0.0 0.886 89.2 72.8 -55.8 -50.5 66.3 10.7 40.9 73 73 A M S < S- 0 0 30 -3,-1.5 2,-1.3 1,-0.1 -3,-0.2 -0.666 72.0-170.5 -64.4 99.4 67.4 14.2 41.7 74 74 A R + 0 0 86 -2,-1.2 2,-0.3 -6,-0.0 -1,-0.1 -0.620 50.6 105.3 -95.8 69.4 68.9 14.9 38.3 75 75 A R + 0 0 30 -2,-1.3 15,-0.2 2,-0.1 2,-0.1 -0.976 65.5 9.8-149.3 133.9 70.4 18.1 39.6 76 76 A G E S- D 0 89A 2 13,-2.2 13,-1.3 -2,-0.3 -9,-0.2 -0.440 93.9 -35.1 91.0-166.4 74.0 18.8 40.5 77 77 A F E -cD 67 88A 0 -11,-1.6 -9,-2.1 11,-0.2 2,-0.3 -0.274 40.8-171.3 -93.7 170.3 77.2 16.8 39.8 78 78 A T E + D 0 87A 62 9,-0.8 9,-1.1 -11,-0.2 7,-0.0 -0.849 65.1 20.3-158.7 127.7 78.1 13.1 39.6 79 79 A G S S+ 0 0 38 -2,-0.3 -1,-0.0 7,-0.2 -12,-0.0 0.866 80.6 111.2 92.9 45.2 81.5 11.4 39.3 80 80 A L + 0 0 7 6,-0.1 6,-0.1 7,-0.1 -17,-0.1 0.241 62.2 59.5-131.7 13.6 84.0 14.1 40.4 81 81 A E 0 0 119 1,-0.1 -21,-0.0 -18,-0.0 -3,-0.0 0.242 360.0 360.0-122.8-143.4 85.5 12.9 43.7 82 82 A S 0 0 167 -2,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.231 360.0 360.0-132.4 360.0 87.5 10.0 45.3 83 ! 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 84 97 A Y 0 0 145 0, 0.0 2,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 89.2 82.8 6.7 32.8 85 98 A S - 0 0 29 66,-0.1 2,-0.2 -7,-0.0 66,-0.2 -0.811 360.0 -63.1-159.4 179.0 82.9 10.5 33.5 86 99 A M E - E 0 150A 1 64,-1.4 64,-2.1 -2,-0.2 2,-0.3 -0.548 41.2-172.6 -92.6 159.0 81.6 13.7 35.2 87 100 A C E -DE 78 149A 5 -9,-1.1 -9,-0.8 62,-0.2 2,-0.4 -0.995 15.4-161.4-157.8 130.9 78.3 15.2 34.7 88 101 A Y E -DE 77 148A 1 60,-3.0 60,-2.9 -2,-0.3 2,-0.3 -0.983 15.4-176.6-123.4 133.6 76.3 18.4 35.6 89 102 A S E +DE 76 147A 7 -13,-1.3 -13,-2.2 -2,-0.4 7,-0.3 -0.938 7.0 164.2-129.4 144.7 72.5 18.6 35.4 90 103 A M E - E 0 146A 3 56,-1.8 56,-2.2 -2,-0.3 2,-0.2 -0.972 8.6-174.9-152.9 162.5 70.0 21.4 35.9 91 104 A G E - E 0 145A 1 2,-0.4 54,-0.2 -2,-0.3 4,-0.1 -0.617 56.1 -62.2-134.3-156.1 66.3 22.4 35.2 92 105 A T S S- 0 0 87 52,-0.6 2,-0.3 -2,-0.2 53,-0.1 0.650 112.7 -8.6 -68.9 -15.2 64.0 25.3 35.7 93 106 A A S S+ 0 0 43 1,-0.1 -2,-0.4 0, 0.0 -1,-0.0 -0.935 104.0 60.3-164.8-179.7 64.3 25.1 39.5 94 107 A D S S+ 0 0 144 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.791 73.3 159.6 52.8 30.6 65.7 23.2 42.5 95 108 A N - 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