==== 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 1UOB . 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) . 13041.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 62.4 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 . 58 20.6 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 . 14 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.0 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 . 6 2.1 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 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 . 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 0 138 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.1 31.6 12.2 58.9 2 2 A D - 0 0 108 1,-0.1 182,-0.1 2,-0.1 0, 0.0 -0.763 360.0-159.2 -63.4 117.9 30.5 15.5 60.2 3 3 A T + 0 0 61 -2,-0.6 2,-0.4 180,-0.1 -1,-0.1 0.035 45.2 132.5 -93.2 22.4 26.7 14.8 60.8 4 4 A T - 0 0 80 1,-0.1 -2,-0.1 184,-0.0 184,-0.0 -0.629 62.3-125.8 -76.3 134.5 25.9 18.4 60.8 5 5 A V - 0 0 20 -2,-0.4 27,-0.1 184,-0.2 -2,-0.1 -0.776 36.9-140.0 -75.3 111.3 23.0 19.3 58.6 6 6 A P - 0 0 29 0, 0.0 27,-2.8 0, 0.0 2,-0.4 -0.176 8.6-141.6 -75.6 166.3 24.4 22.0 56.4 7 7 A T E -a 33 0A 58 25,-0.2 2,-0.4 191,-0.1 27,-0.2 -0.993 15.8-174.2-128.5 138.3 22.9 25.3 55.2 8 8 A F E -a 34 0A 16 25,-2.7 27,-2.3 -2,-0.4 2,-0.5 -0.963 24.3-128.5-129.6 144.0 23.4 26.8 51.8 9 9 A S E > -a 35 0A 8 -2,-0.4 4,-2.2 25,-0.2 27,-0.2 -0.827 14.3-146.1 -83.3 129.3 22.3 30.1 50.4 10 10 A L H > S+ 0 0 7 25,-2.8 4,-2.7 -2,-0.5 5,-0.2 0.919 99.2 57.6 -64.1 -39.8 20.5 29.5 47.1 11 11 A A H > S+ 0 0 41 25,-0.6 4,-0.8 24,-0.3 -1,-0.2 0.901 108.2 44.9 -61.1 -42.5 21.9 32.8 45.8 12 12 A E H 4>S+ 0 0 84 2,-0.2 5,-2.4 1,-0.2 3,-0.3 0.866 112.0 52.0 -65.7 -38.3 25.5 31.6 46.4 13 13 A L H ><5S+ 0 0 5 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.938 107.1 52.9 -59.3 -45.3 24.7 28.2 44.9 14 14 A Q H 3<5S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.717 105.5 55.5 -65.5 -23.1 23.2 29.9 41.7 15 15 A Q T 3<5S- 0 0 159 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.334 123.5-108.2 -85.4 3.2 26.5 32.0 41.5 16 16 A G T < 5S+ 0 0 31 -3,-2.0 3,-0.5 1,-0.3 -3,-0.2 0.641 71.9 141.7 77.6 17.5 28.4 28.6 41.4 17 17 A L < + 0 0 86 -5,-2.4 -1,-0.3 1,-0.2 -2,-0.0 -0.481 60.5 18.3 -83.5 162.2 29.9 28.9 44.9 18 18 A H S > S+ 0 0 68 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 0.749 73.1 153.2 54.2 31.9 30.3 25.9 47.3 19 19 A Q H > S+ 0 0 91 -3,-0.5 4,-2.5 1,-0.2 5,-0.2 0.884 70.5 44.1 -57.4 -45.3 30.0 23.4 44.5 20 20 A D H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 113.4 51.2 -67.8 -42.7 32.0 20.6 46.2 21 21 A E H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.893 113.2 46.0 -61.5 -43.1 30.3 21.1 49.5 22 22 A F H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.921 112.1 48.6 -64.3 -48.0 26.9 20.9 47.9 23 23 A R H X S+ 0 0 73 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.925 113.0 48.5 -57.4 -43.1 27.6 17.8 45.8 24 24 A R H X S+ 0 0 139 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.935 111.1 51.1 -71.5 -42.1 29.0 16.1 48.8 25 25 A C H X>S+ 0 0 8 -4,-2.3 4,-2.6 -5,-0.2 5,-2.5 0.947 110.5 49.3 -51.6 -52.1 25.9 17.1 50.9 26 26 A L H <5S+ 0 0 0 -4,-2.8 188,-2.6 3,-0.2 -2,-0.2 0.910 116.7 40.8 -54.7 -47.2 23.6 15.7 48.2 27 27 A R H <5S+ 0 0 109 -4,-2.1 -2,-0.2 186,-0.3 -1,-0.2 0.924 127.2 29.4 -74.8 -43.7 25.4 12.4 47.9 28 28 A D H <5S+ 0 0 59 -4,-2.7 156,-0.4 -5,-0.2 -2,-0.2 0.742 138.6 13.1 -90.6 -23.8 26.1 11.7 51.6 29 29 A K T <5 - 0 0 24 -4,-2.6 -3,-0.2 -5,-0.4 -4,-0.1 0.714 68.3-155.5-119.1 -51.4 23.2 13.5 53.3 30 30 A G < + 0 0 0 -5,-2.5 171,-2.8 1,-0.1 2,-0.3 0.710 67.8 79.1 70.5 20.3 20.4 14.5 50.9 31 31 A L E + B 0 200A 0 -6,-0.4 2,-0.3 169,-0.2 169,-0.2 -0.988 46.7 149.7-156.9 149.7 19.2 17.2 53.1 32 32 A F E - B 0 199A 0 167,-2.1 167,-3.0 -2,-0.3 2,-0.3 -0.985 42.5-101.0-169.8 157.6 20.1 20.8 54.0 33 33 A Y E -aB 7 198A 14 -27,-2.8 -25,-2.7 -2,-0.3 2,-0.5 -0.654 35.0-151.0 -85.6 150.3 18.7 24.2 55.1 34 34 A L E -aB 8 197A 0 163,-2.4 163,-2.0 -2,-0.3 -25,-0.2 -0.982 14.4-178.6-130.1 118.3 18.4 26.8 52.4 35 35 A T E +a 9 0A 20 -27,-2.3 -25,-2.8 -2,-0.5 -24,-0.3 -0.645 63.1 35.7-104.7 171.8 18.6 30.6 52.9 36 36 A D S S+ 0 0 106 159,-0.4 -25,-0.6 -27,-0.2 -1,-0.2 0.904 77.3 122.8 53.9 48.9 18.3 33.5 50.4 37 37 A C S S- 0 0 18 -3,-0.2 -1,-0.1 -27,-0.1 79,-0.1 0.189 89.0 -94.2-125.9 12.8 15.5 31.7 48.4 38 38 A G S S+ 0 0 54 1,-0.1 2,-0.6 74,-0.1 75,-0.1 0.595 90.8 117.9 86.4 10.8 12.7 34.2 48.6 39 39 A L + 0 0 14 156,-0.1 -1,-0.1 71,-0.0 2,-0.1 -0.661 39.3 179.4-119.3 86.9 11.0 32.6 51.7 40 40 A T > - 0 0 66 -2,-0.6 4,-2.0 1,-0.1 5,-0.1 -0.380 39.4-122.8 -89.7 157.4 10.8 34.8 54.8 41 41 A D H > S+ 0 0 39 153,-0.5 4,-2.9 1,-0.2 5,-0.1 0.811 110.9 65.7 -57.4 -32.8 9.3 34.0 58.2 42 42 A T H > S+ 0 0 112 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.956 105.2 41.6 -56.0 -53.8 7.1 37.1 57.7 43 43 A E H > S+ 0 0 42 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.938 109.8 56.5 -57.7 -52.9 5.3 35.4 54.8 44 44 A L H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.953 110.5 47.2 -46.1 -47.3 5.1 32.1 56.6 45 45 A K H X S+ 0 0 64 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.918 107.9 54.1 -67.0 -38.0 3.4 34.1 59.3 46 46 A S H X S+ 0 0 58 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.969 118.0 37.6 -53.9 -48.5 0.9 35.9 56.9 47 47 A A H X S+ 0 0 1 -4,-2.9 4,-1.7 1,-0.2 5,-0.2 0.934 116.3 50.4 -71.9 -44.8 -0.2 32.5 55.5 48 48 A K H X S+ 0 0 44 -4,-2.8 4,-2.2 -5,-0.4 5,-0.2 0.874 108.7 54.6 -61.9 -38.6 -0.1 30.7 58.7 49 49 A D H X S+ 0 0 103 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.929 109.2 44.2 -67.6 -45.9 -2.2 33.3 60.4 50 50 A L H X S+ 0 0 39 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.815 115.8 47.2 -65.4 -31.3 -5.0 33.3 57.9 51 51 A V H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.904 112.3 48.8 -77.9 -38.9 -5.3 29.5 57.8 52 52 A I H X S+ 0 0 23 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.889 107.3 56.8 -66.2 -37.4 -5.2 29.1 61.5 53 53 A D H X S+ 0 0 81 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.900 111.7 44.0 -55.5 -44.3 -7.9 31.8 61.7 54 54 A F H X S+ 0 0 19 -4,-1.5 4,-1.9 3,-0.2 -2,-0.2 0.929 109.6 53.7 -66.9 -43.7 -9.9 29.4 59.4 55 55 A F H < S+ 0 0 6 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.951 123.2 30.9 -55.2 -45.3 -9.0 26.2 61.3 56 56 A E H < S+ 0 0 132 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.861 133.0 25.8 -80.0 -39.7 -10.3 28.0 64.5 57 57 A H H < S+ 0 0 123 -4,-2.8 2,-0.2 -5,-0.2 -3,-0.2 0.490 87.1 109.2-114.5 -9.2 -13.1 30.4 63.3 58 58 A G < - 0 0 13 -4,-1.9 -4,-0.0 -5,-0.3 2,-0.0 -0.556 67.6-121.5 -74.7 140.1 -14.4 28.9 60.1 59 59 A S > - 0 0 36 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.220 23.2-107.5 -69.4 165.3 -17.9 27.5 60.3 60 60 A E H > S+ 0 0 150 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.843 124.1 51.6 -53.6 -42.3 -18.8 23.9 59.5 61 61 A A H > S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.812 108.6 49.4 -69.0 -35.5 -20.5 25.3 56.4 62 62 A E H 4 S+ 0 0 104 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.918 111.3 48.5 -75.0 -40.5 -17.4 27.2 55.4 63 63 A K H >< S+ 0 0 39 -4,-2.4 3,-1.5 1,-0.2 14,-0.3 0.928 109.4 54.1 -61.1 -45.7 -15.2 24.2 55.8 64 64 A R H >< S+ 0 0 170 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.865 101.4 58.9 -53.4 -41.5 -17.6 22.1 53.8 65 65 A A T 3< S+ 0 0 78 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.689 113.2 38.5 -67.3 -15.6 -17.5 24.5 50.9 66 66 A V T < S+ 0 0 8 -3,-1.5 11,-2.8 -4,-0.5 2,-0.5 0.067 94.9 101.6-121.7 26.8 -13.7 24.0 50.7 67 67 A T B < S-C 76 0A 61 -3,-1.6 9,-0.1 9,-0.2 11,-0.1 -0.933 71.7-126.3-105.7 127.1 -13.7 20.3 51.4 68 68 A S - 0 0 27 7,-0.6 -2,-0.1 -2,-0.5 5,-0.1 -0.307 20.1-120.1 -64.6 150.3 -13.2 17.9 48.4 69 69 A P S S+ 0 0 142 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.807 105.0 51.8 -72.0 -21.2 -15.9 15.2 48.0 70 70 A V S S- 0 0 84 1,-0.0 2,-2.1 0, 0.0 3,-0.3 -0.933 92.5-128.3-106.8 134.9 -13.2 12.5 48.3 71 71 A P + 0 0 110 0, 0.0 7,-0.0 0, 0.0 -4,-0.0 -0.402 61.5 131.8 -89.1 68.9 -11.0 13.0 51.4 72 72 A T - 0 0 71 -2,-2.1 6,-0.1 3,-0.1 0, 0.0 0.499 66.4-126.4 -91.8 -5.9 -7.6 12.8 49.6 73 73 A M S S+ 0 0 35 -3,-0.3 14,-0.1 2,-0.2 3,-0.1 0.871 76.8 119.2 55.9 37.8 -5.9 15.9 51.1 74 74 A R S S+ 0 0 91 1,-0.4 2,-0.3 12,-0.1 69,-0.2 0.822 76.8 9.9 -95.2 -42.1 -5.1 17.1 47.6 75 75 A R S S- 0 0 12 2,-0.1 -7,-0.6 17,-0.1 -1,-0.4 -0.993 110.6 -9.9-142.9 140.4 -7.0 20.3 47.6 76 76 A G E S-CD 67 86A 0 10,-2.2 10,-2.3 -2,-0.3 2,-0.2 -0.229 97.4 -10.6 77.7-153.5 -8.7 22.4 50.3 77 77 A F E - D 0 85A 17 -11,-2.8 -9,-0.4 -14,-0.3 2,-0.4 -0.587 46.6-177.8 -93.4 142.1 -9.5 21.5 53.9 78 78 A T E D 0 84A 28 6,-2.2 6,-2.5 -2,-0.2 -2,-0.0 -0.952 360.0 360.0-133.7 119.9 -9.2 18.2 55.6 79 79 A G 0 0 80 -2,-0.4 4,-0.2 4,-0.2 -24,-0.0 -0.607 360.0 360.0 -86.8 360.0 -10.2 17.8 59.3 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 97 A Y 0 0 254 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 24.7 -6.6 15.4 66.2 82 98 A S - 0 0 35 66,-0.2 2,-0.3 2,-0.0 66,-0.2 -0.793 360.0-132.8 152.5 160.0 -5.4 17.8 63.4 83 99 A M E - E 0 147A 41 64,-1.5 64,-2.2 -4,-0.2 2,-0.3 -0.988 15.1-161.2-142.1 151.7 -6.3 19.9 60.3 84 100 A C E -DE 78 146A 3 -6,-2.5 -6,-2.2 -2,-0.3 2,-0.4 -0.958 9.1-162.4-135.9 148.7 -4.8 20.3 56.8 85 101 A Y E -DE 77 145A 0 60,-2.3 60,-3.0 -2,-0.3 2,-0.3 -0.992 18.9-170.2-128.1 122.3 -4.9 22.8 54.0 86 102 A S E +DE 76 144A 0 -10,-2.3 -10,-2.2 -2,-0.4 7,-0.4 -0.879 9.5 167.1-117.7 151.4 -3.8 21.6 50.5 87 103 A M E + E 0 143A 3 56,-2.1 56,-2.6 -2,-0.3 2,-0.2 -0.979 7.2 176.3-152.0 158.1 -3.1 23.5 47.3 88 104 A G - 0 0 1 -2,-0.3 54,-0.1 54,-0.2 4,-0.1 -0.711 58.2 -67.5-140.7-160.7 -1.5 23.0 43.8 89 105 A T S S- 0 0 74 52,-0.4 2,-0.3 -2,-0.2 3,-0.1 0.736 111.7 -1.0 -71.4 -20.1 -1.1 25.0 40.7 90 106 A A S S+ 0 0 47 1,-0.1 -2,-0.2 0, 0.0 -1,-0.1 -0.909 103.8 55.6-159.1 179.6 -4.9 24.8 39.9 91 107 A D S S+ 0 0 122 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.865 72.9 165.5 54.6 40.3 -8.3 23.4 41.1 92 108 A N - 0 0 37 -3,-0.1 2,-0.5 -17,-0.1 -1,-0.2 -0.443 34.2-144.1 -86.6 161.5 -7.8 25.1 44.4 93 109 A L - 0 0 53 -7,-0.4 -17,-0.2 -27,-0.1 -27,-0.1 -0.992 22.4-174.1-124.7 117.7 -10.5 25.7 47.1 94 110 A F - 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