==== 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 05-JUN-98 1DCS . COMPND 2 MOLECULE: DEACETOXYCEPHALOSPORIN C SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CLAVULIGERUS; . AUTHOR K.VALEGARD,A.C.TERWISSCHA VAN SCHELTINGA,M.D.LLOYD,T.HARA, . 279 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 64.2 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 21.1 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 . 1 0.4 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 . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 25.1 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 0 3 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 . 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,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.7 31.2 11.8 59.2 2 2 A D - 0 0 106 1,-0.1 181,-0.1 2,-0.0 0, 0.0 -0.625 360.0-164.4 -59.7 121.8 29.9 15.3 60.0 3 3 A T + 0 0 56 -2,-0.4 2,-0.3 179,-0.1 -1,-0.1 0.074 46.6 127.7 -98.5 13.8 26.2 14.5 60.8 4 4 A T - 0 0 76 1,-0.1 179,-0.1 183,-0.0 -2,-0.0 -0.565 64.6-128.1 -73.1 131.8 25.5 18.1 60.5 5 5 A V - 0 0 17 -2,-0.3 27,-0.1 183,-0.2 -2,-0.1 -0.747 35.6-139.4 -76.6 113.9 22.7 19.2 58.2 6 6 A P - 0 0 33 0, 0.0 27,-2.8 0, 0.0 2,-0.4 -0.228 5.8-136.7 -76.9 169.0 24.3 21.8 56.0 7 7 A T E -a 33 0A 58 25,-0.2 2,-0.4 190,-0.0 27,-0.2 -0.991 17.4-172.0-122.8 135.0 22.9 25.1 54.7 8 8 A F E -a 34 0A 14 25,-2.5 27,-2.4 -2,-0.4 2,-0.6 -0.968 22.6-129.9-125.3 141.8 23.3 26.5 51.2 9 9 A S E > -a 35 0A 6 -2,-0.4 4,-2.5 25,-0.2 5,-0.2 -0.826 12.2-149.1 -79.9 120.3 22.4 29.9 49.8 10 10 A L H > S+ 0 0 8 25,-2.8 4,-2.5 -2,-0.6 5,-0.2 0.914 99.5 52.9 -58.2 -40.8 20.4 29.4 46.6 11 11 A A H > S+ 0 0 32 25,-0.5 4,-1.1 24,-0.3 -1,-0.2 0.928 108.9 48.3 -58.4 -43.0 21.8 32.6 45.3 12 12 A E H >4>S+ 0 0 76 1,-0.2 5,-2.2 2,-0.2 3,-0.5 0.927 110.7 51.7 -64.8 -44.5 25.4 31.4 45.9 13 13 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.919 106.8 53.5 -58.1 -42.9 24.6 28.1 44.2 14 14 A Q H 3<5S+ 0 0 98 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.758 104.2 56.6 -66.5 -21.8 23.3 30.0 41.2 15 15 A Q T <<5S- 0 0 134 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.417 124.0-104.7 -87.3 0.7 26.6 31.9 41.0 16 16 A G T < 5S+ 0 0 37 -3,-1.9 3,-0.5 1,-0.3 2,-0.2 0.658 72.6 143.2 86.4 18.1 28.5 28.6 40.8 17 17 A L < + 0 0 71 -5,-2.2 -1,-0.3 1,-0.2 5,-0.1 -0.601 58.8 11.9 -89.7 154.4 29.8 28.6 44.3 18 18 A H S > S+ 0 0 72 -2,-0.2 4,-2.5 1,-0.1 -1,-0.2 0.762 73.1 152.8 61.7 31.4 30.3 25.6 46.6 19 19 A Q H > S+ 0 0 33 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.900 70.6 44.9 -68.2 -38.7 29.8 23.1 43.8 20 20 A D H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.937 114.4 49.1 -70.9 -39.1 31.9 20.3 45.3 21 21 A E H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.870 112.8 49.2 -61.6 -39.9 30.3 20.8 48.8 22 22 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.941 111.2 47.9 -66.5 -49.0 26.8 20.8 47.2 23 23 A R H X S+ 0 0 88 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.898 112.5 49.6 -58.6 -42.5 27.6 17.6 45.2 24 24 A R H X S+ 0 0 109 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.905 111.0 49.3 -64.3 -43.0 28.9 15.9 48.3 25 25 A C H X>S+ 0 0 8 -4,-2.3 5,-2.6 1,-0.2 4,-2.6 0.943 110.9 50.6 -59.1 -47.7 25.9 16.9 50.3 26 26 A L H <5S+ 0 0 0 -4,-2.9 187,-2.8 3,-0.2 -2,-0.2 0.896 117.4 38.6 -56.9 -44.0 23.6 15.6 47.6 27 27 A R H <5S+ 0 0 139 -4,-2.1 -1,-0.2 185,-0.3 -2,-0.2 0.869 126.3 33.1 -74.8 -41.9 25.3 12.2 47.5 28 28 A D H <5S+ 0 0 56 -4,-2.8 155,-0.4 -5,-0.2 -2,-0.2 0.685 138.0 8.1 -93.9 -23.8 26.0 11.7 51.1 29 29 A K T <5 - 0 0 21 -4,-2.6 -3,-0.2 -5,-0.3 -4,-0.1 0.633 68.6-154.0-128.1 -47.3 23.1 13.3 52.9 30 30 A G < + 0 0 0 -5,-2.6 170,-2.9 1,-0.2 2,-0.3 0.723 68.0 80.0 71.5 22.4 20.4 14.4 50.4 31 31 A L E + B 0 199A 0 -6,-0.3 2,-0.3 168,-0.2 168,-0.2 -0.981 46.6 151.9-154.8 153.7 19.0 17.1 52.6 32 32 A F E - B 0 198A 0 166,-1.8 166,-2.9 -2,-0.3 2,-0.3 -0.947 43.3-101.3-170.3 157.6 20.0 20.7 53.5 33 33 A Y E -aB 7 197A 13 -27,-2.8 -25,-2.5 -2,-0.3 2,-0.5 -0.674 35.4-149.1 -84.9 148.1 18.6 24.0 54.6 34 34 A L E -aB 8 196A 0 162,-2.8 162,-2.2 -2,-0.3 -25,-0.2 -0.979 16.0-179.4-126.8 119.8 18.2 26.6 51.8 35 35 A T E +a 9 0A 21 -27,-2.4 -25,-2.8 -2,-0.5 -24,-0.3 -0.576 61.7 35.5-104.5 172.3 18.6 30.4 52.4 36 36 A D S S+ 0 0 106 158,-0.5 -25,-0.5 -27,-0.2 -1,-0.2 0.891 77.9 120.9 54.5 45.0 18.2 33.3 50.0 37 37 A C S S- 0 0 17 -3,-0.2 -1,-0.1 -27,-0.1 79,-0.1 0.147 88.9 -95.1-125.7 18.6 15.5 31.6 48.0 38 38 A G S S+ 0 0 54 1,-0.1 2,-0.8 74,-0.1 75,-0.1 0.589 86.6 123.0 82.8 9.3 12.6 34.1 48.3 39 39 A L - 0 0 14 155,-0.1 -1,-0.1 71,-0.1 -3,-0.1 -0.699 39.6-174.4-111.7 89.0 10.9 32.4 51.3 40 40 A T > - 0 0 67 -2,-0.8 4,-2.3 1,-0.1 5,-0.1 -0.276 33.3-133.4 -82.6 158.6 10.5 34.7 54.2 41 41 A D H > S+ 0 0 51 2,-0.2 4,-2.3 152,-0.2 5,-0.2 0.902 108.3 59.9 -68.3 -36.8 9.3 34.0 57.7 42 42 A T H > S+ 0 0 90 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.933 109.3 43.9 -58.9 -45.4 7.1 37.2 57.5 43 43 A E H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.873 108.2 56.4 -62.9 -47.4 5.3 35.6 54.5 44 44 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.908 108.7 49.5 -50.4 -36.5 5.0 32.2 56.0 45 45 A K H X S+ 0 0 79 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.871 106.1 53.0 -84.7 -23.2 3.2 33.8 58.8 46 46 A S H X S+ 0 0 44 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.945 116.0 41.5 -65.4 -43.3 0.7 35.8 56.8 47 47 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.946 117.9 48.6 -63.2 -46.2 -0.3 32.6 54.9 48 48 A K H X S+ 0 0 49 -4,-2.7 4,-2.9 -5,-0.3 5,-0.3 0.943 109.9 50.8 -58.7 -50.4 -0.2 30.7 58.2 49 49 A D H X S+ 0 0 83 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.908 111.4 47.1 -57.1 -45.7 -2.3 33.3 60.1 50 50 A L H X S+ 0 0 34 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.864 114.8 45.7 -72.0 -34.2 -5.1 33.4 57.5 51 51 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.888 112.5 50.8 -74.8 -34.1 -5.3 29.6 57.2 52 52 A I H X S+ 0 0 23 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.881 107.8 53.6 -67.0 -36.1 -5.3 29.1 61.0 53 53 A D H X S+ 0 0 75 -4,-1.9 4,-2.9 -5,-0.3 5,-0.3 0.929 110.5 47.3 -60.9 -40.6 -8.0 31.7 61.3 54 54 A F H X S+ 0 0 15 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.943 113.4 47.2 -64.4 -47.5 -10.0 29.6 58.8 55 55 A F H < S+ 0 0 8 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.910 121.1 38.3 -57.8 -45.3 -9.2 26.4 60.7 56 56 A E H < S+ 0 0 126 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.816 134.0 18.0 -72.7 -41.5 -10.2 28.0 64.0 57 57 A H H < S+ 0 0 129 -4,-2.9 2,-0.3 -5,-0.3 -3,-0.2 0.423 88.9 113.4-123.5 -2.7 -13.1 30.1 63.0 58 58 A G < - 0 0 9 -4,-2.5 2,-0.1 -5,-0.3 -4,-0.0 -0.505 64.5-129.4 -65.2 133.8 -14.3 28.8 59.7 59 59 A S > - 0 0 55 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.372 24.2-103.0 -79.6 171.0 -17.8 27.3 60.1 60 60 A E H > S+ 0 0 141 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.894 122.4 54.1 -59.4 -37.7 -18.6 23.8 58.9 61 61 A A H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 109.5 45.3 -61.7 -44.9 -20.4 25.3 55.9 62 62 A E H > S+ 0 0 106 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.913 114.6 50.2 -62.0 -41.4 -17.5 27.4 54.8 63 63 A K H >< S+ 0 0 10 -4,-2.4 3,-1.3 1,-0.2 14,-0.3 0.920 108.3 52.3 -67.1 -42.8 -15.2 24.4 55.3 64 64 A R H >< S+ 0 0 64 -4,-2.9 3,-1.8 1,-0.3 -1,-0.2 0.867 101.1 61.0 -60.1 -37.1 -17.5 22.2 53.2 65 65 A A H 3< S+ 0 0 79 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.715 111.9 39.5 -64.8 -18.4 -17.5 24.7 50.3 66 66 A V T << S+ 0 0 8 -3,-1.3 11,-2.6 -4,-0.5 2,-0.4 0.088 95.3 102.3-120.8 27.8 -13.7 24.2 50.1 67 67 A T B < -C 76 0A 59 -3,-1.8 9,-0.1 9,-0.2 11,-0.1 -0.917 69.7-127.2-108.7 127.6 -13.7 20.4 50.7 68 68 A S - 0 0 28 7,-0.6 5,-0.1 -2,-0.4 -2,-0.1 -0.370 21.5-118.9 -65.8 151.8 -13.3 17.9 47.8 69 69 A P S S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.687 105.7 51.4 -69.9 -17.4 -15.9 15.2 47.5 70 70 A V S S- 0 0 88 0, 0.0 2,-2.1 0, 0.0 3,-0.3 -0.963 91.8-127.2-115.1 136.5 -13.1 12.6 47.9 71 71 A P + 0 0 114 0, 0.0 7,-0.0 0, 0.0 -4,-0.0 -0.303 63.3 131.1 -86.4 61.9 -10.8 13.1 51.0 72 72 A T - 0 0 69 -2,-2.1 6,-0.1 3,-0.1 0, 0.0 0.558 64.9-130.9 -91.8 -7.9 -7.5 13.0 49.0 73 73 A M S S+ 0 0 21 -3,-0.3 14,-0.1 2,-0.2 3,-0.1 0.808 73.3 120.7 57.8 30.5 -5.9 16.1 50.5 74 74 A R S S+ 0 0 92 1,-0.3 2,-0.3 12,-0.1 69,-0.2 0.860 78.4 6.2 -86.6 -42.4 -5.1 17.2 46.9 75 75 A R S S- 0 0 13 2,-0.1 -7,-0.6 12,-0.1 -1,-0.3 -0.994 110.3 -5.4-143.5 143.5 -7.0 20.5 47.1 76 76 A G E S-CD 67 86A 0 10,-2.2 10,-2.3 -2,-0.3 2,-0.3 -0.289 97.3 -12.3 77.8-156.0 -8.8 22.6 49.7 77 77 A F E - D 0 85A 12 -11,-2.6 -9,-0.4 -14,-0.3 2,-0.3 -0.612 47.3-177.5 -89.6 141.7 -9.6 21.6 53.3 78 78 A T E - D 0 84A 15 6,-2.3 6,-2.6 -2,-0.3 2,-0.4 -0.970 8.8-160.9-133.9 125.6 -9.3 18.3 55.1 79 79 A G E D 0 83A 46 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.833 360.0 360.0-102.0 138.3 -10.3 17.7 58.8 80 80 A L 0 0 129 2,-2.7 -1,-0.0 -2,-0.4 3,-0.0 -0.249 360.0 360.0-132.9 360.0 -8.9 14.6 60.5 81 ! 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 82 98 A S 0 0 49 0, 0.0 -2,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 151.9 -5.5 17.8 62.9 83 99 A M E -DE 79 147A 53 64,-1.5 64,-2.5 -4,-0.2 2,-0.3 -0.982 360.0-161.6-142.3 147.7 -6.4 19.9 59.8 84 100 A C E -DE 78 146A 0 -6,-2.6 -6,-2.3 -2,-0.3 2,-0.4 -0.952 9.2-163.6-131.3 151.0 -4.9 20.3 56.3 85 101 A Y E -DE 77 145A 0 60,-2.3 60,-3.0 -2,-0.3 2,-0.3 -0.998 20.2-171.8-132.5 125.3 -5.1 22.9 53.5 86 102 A S E +DE 76 144A 0 -10,-2.3 -10,-2.2 -2,-0.4 7,-0.4 -0.899 9.2 165.8-121.3 151.0 -3.8 21.8 50.1 87 103 A M E + E 0 143A 2 56,-2.3 56,-2.9 -2,-0.3 2,-0.2 -0.983 8.9 178.9-154.3 165.6 -3.2 23.5 46.8 88 104 A G - 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