==== 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 01-JUL-04 1W2A . 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) . 13700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 63.2 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 18.4 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 . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.9 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 . 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 2 2 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 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 X M 0 0 229 0, 0.0 2,-0.7 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0 -69.2 70.0 5.2 0.5 2 2 X D + 0 0 98 1,-0.1 189,-0.1 2,-0.0 188,-0.0 -0.644 360.0 162.0 -84.2 106.3 70.1 9.0 1.7 3 3 X T + 0 0 54 -2,-0.7 2,-0.2 187,-0.1 -1,-0.1 0.209 31.0 108.5-116.2 17.0 72.5 9.5 4.7 4 4 X T - 0 0 95 189,-0.0 189,-0.0 185,-0.0 185,-0.0 -0.641 58.8-133.9 -93.2 157.6 73.4 13.2 5.0 5 5 X V - 0 0 19 -2,-0.2 27,-0.1 183,-0.0 -2,-0.1 -0.937 24.8-136.8-109.0 118.1 72.2 15.5 7.7 6 6 X P - 0 0 25 0, 0.0 27,-2.5 0, 0.0 2,-0.4 -0.197 7.3-139.9 -69.9 165.4 71.0 18.9 6.4 7 7 X T E +a 33 0A 64 25,-0.2 2,-0.3 27,-0.0 27,-0.2 -0.975 20.7 179.0-124.8 140.3 71.7 22.4 7.8 8 8 X F E -a 34 0A 11 25,-1.7 27,-2.4 -2,-0.4 2,-0.5 -0.960 29.3-125.2-136.6 153.1 69.2 25.2 8.1 9 9 X S E > -a 35 0A 13 -2,-0.3 4,-2.0 25,-0.2 27,-0.2 -0.893 17.6-147.3 -92.8 128.6 69.2 28.8 9.4 10 10 X L H > S+ 0 0 8 25,-2.2 4,-2.4 -2,-0.5 5,-0.2 0.881 99.5 53.9 -62.2 -41.6 66.4 29.2 12.0 11 11 X A H > S+ 0 0 42 25,-0.5 4,-1.6 24,-0.3 -1,-0.2 0.947 108.9 49.8 -59.2 -43.9 65.9 32.8 10.9 12 12 X E H 4>S+ 0 0 72 1,-0.2 5,-2.4 2,-0.2 -2,-0.2 0.889 109.8 50.0 -62.5 -39.5 65.5 31.7 7.3 13 13 X L H ><5S+ 0 0 8 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.922 111.6 48.1 -63.6 -40.8 63.0 29.0 8.3 14 14 X Q H 3<5S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.742 106.2 59.9 -66.7 -26.8 61.0 31.7 10.2 15 15 X Q T 3<5S- 0 0 132 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.193 122.8-108.6 -83.1 6.9 61.3 33.8 7.1 16 16 X G T X 5S+ 0 0 25 -3,-1.6 3,-0.7 1,-0.2 -3,-0.2 0.430 72.8 139.6 77.4 0.5 59.5 31.2 5.2 17 17 X L T 3 < + 0 0 71 -5,-2.4 -1,-0.2 1,-0.2 -2,-0.1 -0.411 63.1 12.8 -75.1 152.7 62.5 30.0 3.2 18 18 X H T 3> S+ 0 0 90 1,-0.1 4,-2.0 -2,-0.1 3,-0.3 0.674 73.3 154.1 63.9 25.5 63.2 26.3 2.4 19 19 X Q H <> + 0 0 113 -3,-0.7 4,-1.8 1,-0.2 5,-0.1 0.830 68.6 48.3 -53.9 -41.0 59.7 25.1 3.5 20 20 X D H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 112.0 47.3 -72.2 -40.2 59.7 21.9 1.3 21 21 X E H > S+ 0 0 96 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.889 111.3 51.9 -70.1 -40.4 63.1 20.6 2.3 22 22 X F H X S+ 0 0 5 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.907 109.3 49.4 -63.0 -43.2 62.4 21.2 6.0 23 23 X R H X S+ 0 0 80 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.916 112.7 47.7 -63.0 -43.4 59.1 19.2 5.8 24 24 X R H X S+ 0 0 127 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.905 110.2 52.9 -58.6 -46.7 60.8 16.3 4.0 25 25 X C H X>S+ 0 0 8 -4,-2.2 5,-2.5 1,-0.2 4,-2.3 0.885 109.5 47.8 -62.4 -44.4 63.7 16.3 6.5 26 26 X L H <5S+ 0 0 1 -4,-2.0 193,-2.3 3,-0.2 -1,-0.2 0.949 115.6 43.7 -62.3 -50.0 61.4 16.0 9.5 27 27 X R H <5S+ 0 0 121 -4,-2.2 -2,-0.2 191,-0.2 -1,-0.2 0.871 126.2 30.9 -62.0 -36.3 59.3 13.2 8.0 28 28 X D H <5S+ 0 0 77 -4,-2.5 161,-0.4 -5,-0.2 -2,-0.2 0.630 139.0 6.8-104.7 -24.2 62.3 11.2 6.7 29 29 X K T <5S- 0 0 18 -4,-2.3 -3,-0.2 -5,-0.2 177,-0.1 0.559 70.2-151.2-129.8 -36.9 65.2 11.9 9.1 30 30 X G < + 0 0 0 -5,-2.5 176,-2.6 -6,-0.1 2,-0.3 0.747 66.9 88.2 60.3 24.8 63.9 13.9 12.1 31 31 X L E + B 0 205A 0 -6,-0.4 2,-0.3 174,-0.2 174,-0.2 -0.993 43.4 150.8-151.1 151.3 67.3 15.5 12.6 32 32 X F E - B 0 204A 1 172,-1.9 172,-2.4 -2,-0.3 2,-0.2 -0.983 39.9-106.8-167.0 158.5 69.2 18.5 11.3 33 33 X Y E -aB 7 203A 2 -27,-2.5 -25,-1.7 -2,-0.3 2,-0.4 -0.619 36.0-156.7 -89.5 155.4 71.9 21.1 12.2 34 34 X L E -aB 8 202A 1 168,-2.0 168,-2.3 -2,-0.2 -25,-0.2 -0.983 11.9-173.8-144.0 126.5 70.8 24.6 12.9 35 35 X T E +a 9 0A 37 -27,-2.4 -25,-2.2 -2,-0.4 -24,-0.3 -0.627 65.1 32.6-105.3 173.8 72.5 28.1 12.8 36 36 X D S S+ 0 0 111 164,-0.4 -25,-0.5 -2,-0.2 -1,-0.2 0.897 76.0 126.0 52.7 51.9 71.3 31.6 13.8 37 37 X C S S- 0 0 16 2,-0.4 82,-0.1 -3,-0.2 -1,-0.1 0.280 85.9 -88.7-127.8 15.6 69.2 30.4 16.7 38 38 X G S S+ 0 0 35 1,-0.4 2,-0.3 77,-0.0 78,-0.2 0.669 94.4 106.5 88.5 20.0 70.4 32.3 19.8 39 39 X L - 0 0 24 161,-0.1 -1,-0.4 77,-0.1 -2,-0.4 -0.941 46.0-171.7-126.5 152.8 73.2 29.9 20.8 40 40 X T > - 0 0 54 -2,-0.3 4,-1.4 -3,-0.1 5,-0.1 -0.962 35.4-122.1-144.6 155.7 76.9 30.5 20.4 41 41 X D H > S+ 0 0 28 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.869 112.2 57.1 -64.9 -38.2 80.1 28.5 20.8 42 42 X T H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.882 101.9 52.2 -65.2 -40.4 81.4 31.2 23.3 43 43 X E H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.932 111.3 49.9 -64.0 -38.9 78.4 30.8 25.6 44 44 X L H X S+ 0 0 4 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.884 107.6 52.7 -64.3 -39.4 79.1 27.0 25.6 45 45 X K H X S+ 0 0 66 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.900 110.4 48.0 -68.5 -37.3 82.9 27.5 26.4 46 46 X S H X S+ 0 0 52 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.885 112.2 46.4 -69.7 -44.3 82.2 29.7 29.4 47 47 X A H X S+ 0 0 1 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.925 115.9 48.6 -60.8 -41.7 79.6 27.4 30.9 48 48 X K H X S+ 0 0 40 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.922 108.5 53.2 -64.2 -44.5 82.0 24.6 30.3 49 49 X D H X S+ 0 0 89 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.930 107.5 50.5 -61.6 -48.3 85.0 26.4 31.8 50 50 X L H X S+ 0 0 54 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.896 111.7 46.5 -55.6 -46.3 83.2 27.1 35.1 51 51 X V H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.916 113.5 48.6 -66.3 -39.7 82.1 23.5 35.6 52 52 X I H X S+ 0 0 22 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.785 107.1 57.5 -67.4 -26.9 85.5 22.2 34.8 53 53 X D H X S+ 0 0 97 -4,-1.9 4,-1.9 -5,-0.2 5,-0.3 0.910 109.2 44.8 -69.8 -41.2 87.0 24.7 37.1 54 54 X F H X S+ 0 0 21 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.871 109.7 54.9 -68.0 -37.5 84.9 23.3 39.9 55 55 X F H < S+ 0 0 50 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.944 117.1 37.2 -62.2 -46.6 85.7 19.7 38.9 56 56 X E H < S+ 0 0 114 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.748 133.4 18.4 -74.2 -30.3 89.4 20.4 39.2 57 57 X H H < S+ 0 0 131 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.2 0.524 83.0 114.5-132.8 -10.3 89.5 22.8 42.2 58 58 X G < - 0 0 8 -4,-2.1 -4,-0.0 -5,-0.3 0, 0.0 -0.438 68.5-113.4 -60.4 141.5 86.4 22.6 44.3 59 59 X S > - 0 0 57 -2,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.059 26.6-103.1 -67.9 175.7 87.1 21.2 47.8 60 60 X E H > S+ 0 0 86 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.936 120.5 47.0 -70.1 -43.5 85.8 17.8 49.0 61 61 X A H > S+ 0 0 75 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.817 111.7 50.5 -70.3 -33.6 83.0 19.3 51.2 62 62 X E H > S+ 0 0 105 2,-0.2 4,-0.9 1,-0.2 3,-0.3 0.945 108.9 52.2 -66.4 -48.4 81.8 21.7 48.4 63 63 X K H X S+ 0 0 17 -4,-2.0 4,-0.7 1,-0.2 3,-0.4 0.838 109.4 49.9 -55.4 -35.9 81.7 18.8 45.9 64 64 X R H < S+ 0 0 174 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.855 103.6 59.0 -72.7 -35.8 79.5 16.7 48.3 65 65 X A H < S+ 0 0 78 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.652 114.0 36.8 -70.1 -19.4 77.0 19.6 48.9 66 66 X V H < S+ 0 0 9 -4,-0.9 11,-1.9 -3,-0.4 -1,-0.2 0.436 89.2 113.3-110.2 -5.0 76.2 19.8 45.2 67 67 X T B < S-c 77 0A 48 -4,-0.7 11,-0.2 -3,-0.3 9,-0.1 -0.449 81.4 -98.5 -64.6 138.3 76.4 16.0 44.4 68 68 X S - 0 0 15 9,-2.5 -1,-0.1 -2,-0.1 8,-0.1 -0.351 25.6-149.0 -62.1 134.6 72.9 14.7 43.5 69 69 X P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 1.000 83.2 9.4 -66.1 -68.9 71.1 13.0 46.4 70 70 X V > - 0 0 76 3,-0.1 3,-1.2 1,-0.1 5,-0.1 -0.951 67.6-140.9-119.9 112.0 69.1 10.4 44.4 71 71 X P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.664 99.7 71.6 -38.2 -26.5 69.8 9.9 40.6 72 72 X T T 3 S+ 0 0 118 1,-0.1 2,-0.5 2,-0.1 0, 0.0 0.988 94.7 56.1 -52.5 -61.3 66.0 9.5 40.1 73 73 X M S < S- 0 0 50 -3,-1.2 2,-1.3 1,-0.1 -3,-0.1 -0.671 94.2-143.4 -72.8 120.3 65.7 13.3 40.7 74 74 X R + 0 0 88 -2,-0.5 2,-0.3 -6,-0.1 -1,-0.1 -0.626 51.1 111.8-103.5 78.9 68.1 14.6 38.1 75 75 X R + 0 0 27 -2,-1.3 15,-0.2 -5,-0.1 20,-0.1 -0.953 56.0 14.6-143.5 156.9 69.9 17.7 39.6 76 76 X G E S- D 0 89A 0 13,-1.3 13,-1.8 -2,-0.3 -9,-0.2 -0.179 93.2 -34.0 74.3-164.6 73.5 18.5 40.7 77 77 X F E -cD 67 88A 0 -11,-1.9 -9,-2.5 11,-0.2 2,-0.3 -0.490 42.3-169.6 -92.8 157.0 76.6 16.6 39.9 78 78 X T E S+ D 0 87A 72 9,-1.8 9,-2.1 -11,-0.2 -2,-0.0 -0.972 70.2 22.3-133.3 151.7 77.5 13.0 39.4 79 79 X G + 0 0 26 -2,-0.3 -1,-0.0 7,-0.2 -12,-0.0 0.704 69.9 130.4 71.8 23.5 81.0 11.4 39.1 80 80 X L + 0 0 3 -17,-0.1 -1,-0.1 7,-0.1 6,-0.1 0.691 29.8 156.9 -73.4 -19.4 83.0 14.2 40.8 81 81 X E 0 0 154 1,-0.1 -21,-0.0 -18,-0.1 -3,-0.0 0.324 360.0 360.0 -19.7 106.8 84.6 11.5 43.0 82 82 X S 0 0 87 -22,-0.1 -1,-0.1 -23,-0.0 -23,-0.1 0.120 360.0 360.0-128.6 360.0 88.0 13.0 44.2 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 X Y 0 0 244 0, 0.0 2,-0.3 0, 0.0 69,-0.3 0.000 360.0 360.0 360.0 -68.7 84.6 7.8 32.3 85 98 X S - 0 0 17 66,-0.2 2,-0.3 67,-0.1 66,-0.2 -0.992 360.0-138.4-156.2 139.7 82.6 11.0 32.9 86 99 X M E - E 0 150A 1 64,-2.1 64,-2.5 -2,-0.3 2,-0.3 -0.736 27.7-159.0 -95.2 154.4 81.2 13.7 35.2 87 100 X C E -DE 78 149A 5 -9,-2.1 -9,-1.8 -2,-0.3 2,-0.4 -0.965 12.8-167.8-137.6 139.9 77.7 15.0 34.7 88 101 X Y E -DE 77 148A 1 60,-2.2 60,-2.6 -2,-0.3 2,-0.3 -0.989 13.4-171.4-132.2 128.4 75.8 18.1 35.7 89 102 X S E +DE 76 147A 8 -13,-1.8 -13,-1.3 -2,-0.4 7,-0.3 -0.912 5.6 178.1-122.9 147.8 72.0 18.3 35.4 90 103 X M E - E 0 146A 3 56,-2.1 56,-2.5 -2,-0.3 2,-0.2 -0.972 4.7-179.0-141.3 153.6 69.5 21.2 35.8 91 104 X G - 0 0 1 2,-0.3 54,-0.1 -2,-0.3 4,-0.1 -0.592 55.3 -74.8-130.5-164.7 65.8 21.8 35.4 92 105 X T S S- 0 0 84 52,-0.4 2,-0.3 -2,-0.2 3,-0.1 0.742 111.6 -1.8 -70.0 -23.7 63.5 24.8 35.8 93 106 X A S S+ 0 0 45 1,-0.1 -2,-0.3 0, 0.0 -1,-0.0 -0.911 103.8 58.9-150.9-179.9 63.8 24.6 39.6 94 107 X D S S+ 0 0 136 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.788 71.6 164.2 66.4 31.3 65.4 22.6 42.5 95 108 X N - 0 0 36 -4,-0.1 2,-0.5 -20,-0.1 -1,-0.2 -0.394 35.1-137.5 -85.7 156.1 68.9 23.2 41.2 96 109 X L - 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