==== 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 04-DEC-09 3ABB . COMPND 2 MOLECULE: CYTOCHROME P450 HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AVERMITILIS; . AUTHOR L.H.XU,S.FUSHINOBU,S.TAKAMATSU,T.WAKAGI,H.IKEDA,H.SHOUN . 383 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 7.0 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 1 0 1 1 1 2 0 0 0 1 0 0 2 0 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 11 A S 0 0 44 0, 0.0 4,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 126.5 -13.9 44.8 2.0 2 12 A P + 0 0 143 0, 0.0 30,-0.0 0, 0.0 3,-0.0 0.874 360.0 37.2 -69.9 -35.8 -12.8 44.8 -1.6 3 13 A A S S- 0 0 64 1,-0.1 30,-0.2 30,-0.0 2,-0.1 -0.789 105.1 -79.0-108.5 152.5 -10.8 41.4 -1.7 4 14 A P + 0 0 80 0, 0.0 30,-0.2 0, 0.0 31,-0.1 -0.327 57.0 157.4 -53.3 122.6 -11.6 38.0 0.1 5 15 A S + 0 0 17 28,-1.8 29,-0.2 1,-0.1 30,-0.1 0.296 29.1 115.0-132.8 -0.5 -10.5 38.5 3.7 6 16 A F + 0 0 7 27,-1.9 29,-0.3 1,-0.1 -1,-0.1 -0.992 66.2 23.9-133.8 132.2 -12.5 35.9 5.8 7 17 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 362,-0.1 0.578 69.7-176.1 -86.4 173.8 -11.5 33.5 7.2 8 18 A Q - 0 0 80 360,-0.2 2,-0.2 -2,-0.1 -3,-0.0 -0.941 28.0-109.0-126.2 145.8 -7.8 34.0 8.2 9 19 A D - 0 0 93 -2,-0.3 2,-0.1 1,-0.1 358,-0.1 -0.454 25.9-115.4 -75.4 144.7 -5.6 31.3 9.9 10 20 A R - 0 0 9 356,-0.4 355,-0.1 -2,-0.2 -1,-0.1 -0.476 22.0-173.9 -64.0 148.3 -4.4 31.4 13.5 11 21 A T S S+ 0 0 123 4,-0.3 -1,-0.2 1,-0.3 3,-0.0 0.629 82.0 52.0-105.9 -41.8 -0.7 31.6 13.9 12 22 A C S > S- 0 0 33 3,-0.3 3,-1.4 1,-0.1 -1,-0.3 -0.832 89.7-133.8 -92.6 131.0 -0.9 31.3 17.7 13 23 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.827 101.5 27.6 -58.7 -30.4 -3.0 28.2 18.6 14 24 A Y T 3 S+ 0 0 24 2,-0.1 251,-0.0 220,-0.1 252,-0.0 0.075 109.0 77.2-122.1 22.9 -5.1 30.0 21.2 15 25 A Q S < S- 0 0 54 -3,-1.4 -3,-0.3 249,-0.0 -4,-0.3 -0.986 82.6-114.0-123.0 141.9 -5.0 33.6 20.0 16 26 A P - 0 0 15 0, 0.0 -4,-0.1 0, 0.0 -7,-0.1 -0.379 48.3 -86.6 -63.6 152.8 -7.1 35.0 17.0 17 27 A P >> - 0 0 7 0, 0.0 3,-1.5 0, 0.0 4,-1.3 -0.367 36.6-115.6 -59.4 142.6 -5.1 36.1 13.9 18 28 A K H 3> S+ 0 0 152 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.845 114.7 62.1 -39.9 -47.4 -3.8 39.7 14.1 19 29 A A H 3> S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.808 99.7 54.3 -59.3 -33.4 -6.0 40.6 11.1 20 30 A Y H <> S+ 0 0 5 -3,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.947 110.4 44.7 -66.8 -47.8 -9.2 39.7 13.1 21 31 A E H < S+ 0 0 65 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.885 113.9 50.9 -63.7 -33.8 -8.2 42.1 15.9 22 32 A E H < S+ 0 0 149 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.907 104.9 57.4 -63.4 -40.4 -7.3 44.7 13.4 23 33 A R H < S+ 0 0 82 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.2 0.793 85.3 97.2 -63.2 -30.3 -10.7 44.2 11.6 24 34 A R < - 0 0 40 -4,-1.3 2,-0.1 -3,-0.1 19,-0.0 -0.447 60.8-169.4 -59.3 121.6 -12.5 45.1 14.9 25 35 A G - 0 0 44 2,-0.5 5,-0.1 -2,-0.3 -1,-0.1 -0.191 45.8 -89.6 -93.9-166.7 -13.6 48.8 14.8 26 36 A E S S+ 0 0 196 -2,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.833 112.3 85.8 -67.4 -34.4 -14.9 51.1 17.6 27 37 A S S S- 0 0 48 2,-0.1 -2,-0.5 1,-0.1 255,-0.1 -0.263 91.0-123.5 -63.3 146.7 -18.2 49.7 16.2 28 38 A P S S+ 0 0 17 0, 0.0 17,-2.5 0, 0.0 16,-2.2 0.385 94.4 34.8 -79.1 4.1 -19.6 46.3 17.5 29 39 A L E +A 43 0A 10 14,-0.2 14,-0.2 252,-0.2 2,-0.2 -0.985 63.8 177.8-150.7 152.2 -19.6 44.9 13.9 30 40 A T E -A 42 0A 35 12,-2.8 12,-3.4 -2,-0.3 2,-0.4 -0.687 27.8-100.0-136.7-167.9 -17.6 45.3 10.8 31 41 A Q E +A 41 0A 90 10,-0.3 2,-0.2 -2,-0.2 10,-0.2 -0.958 32.4 167.8-124.9 139.6 -17.5 44.0 7.3 32 42 A V E -A 40 0A 3 8,-2.5 8,-2.0 -2,-0.4 2,-0.4 -0.777 29.9-116.3-129.8-177.6 -15.4 41.3 5.6 33 43 A T E -A 39 0A 3 -2,-0.2 -27,-1.9 -30,-0.2 -28,-1.8 -0.989 21.4-136.2-128.8 129.5 -15.5 39.4 2.2 34 44 A L > - 0 0 1 4,-3.1 3,-2.2 -2,-0.4 36,-0.1 -0.192 41.5 -85.1 -75.0 174.8 -16.0 35.6 1.7 35 45 A F T 3 S+ 0 0 99 35,-0.3 35,-0.1 1,-0.3 -1,-0.1 0.683 127.3 44.0 -58.5 -21.4 -14.0 33.4 -0.7 36 46 A D T 3 S- 0 0 96 33,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.113 125.6 -93.5-111.4 18.4 -16.1 34.2 -3.7 37 47 A G S < S+ 0 0 39 -3,-2.2 -2,-0.1 1,-0.3 0, 0.0 0.320 74.9 146.7 90.2 -12.2 -16.4 37.9 -3.1 38 48 A R - 0 0 62 -5,-0.1 -4,-3.1 1,-0.1 -1,-0.3 -0.407 46.9-127.6 -61.7 127.4 -19.7 37.9 -1.2 39 49 A P E -A 33 0A 75 0, 0.0 251,-0.7 0, 0.0 2,-0.3 -0.463 30.9-178.3 -70.1 150.4 -19.8 40.7 1.4 40 50 A A E -Ab 32 290A 2 -8,-2.0 -8,-2.5 -2,-0.1 2,-0.3 -0.998 27.5-121.6-145.7 147.7 -20.6 39.6 5.0 41 51 A W E -Ab 31 291A 35 249,-2.3 251,-3.5 -2,-0.3 2,-0.6 -0.671 22.6-149.1 -84.6 142.7 -21.1 41.5 8.3 42 52 A L E -Ab 30 292A 0 -12,-3.4 -12,-2.8 -2,-0.3 2,-0.5 -0.963 7.1-149.2-113.5 113.4 -18.8 40.3 11.1 43 53 A I E +Ab 29 293A 1 249,-2.9 251,-2.3 -2,-0.6 255,-0.3 -0.724 29.5 159.6 -79.8 122.8 -20.4 40.7 14.6 44 54 A T + 0 0 0 -16,-2.2 2,-0.3 -2,-0.5 -15,-0.2 0.632 39.4 98.2-120.0 -28.5 -17.6 41.3 17.1 45 55 A G > - 0 0 0 -17,-2.5 4,-2.7 1,-0.2 5,-0.2 -0.488 62.3-147.9 -67.0 123.9 -19.4 42.9 20.1 46 56 A H H > S+ 0 0 20 -2,-0.3 4,-1.9 252,-0.3 5,-0.2 0.936 98.0 44.3 -53.9 -53.7 -20.2 40.5 22.8 47 57 A A H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 116.0 45.6 -64.2 -41.0 -23.4 42.3 23.8 48 58 A E H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.912 110.6 54.4 -71.1 -38.2 -24.7 42.9 20.2 49 59 A G H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.929 108.8 46.9 -59.2 -47.2 -23.9 39.3 19.2 50 60 A R H X S+ 0 0 78 -4,-1.9 4,-0.7 -5,-0.2 3,-0.3 0.920 111.5 52.9 -57.9 -45.3 -26.0 37.8 22.1 51 61 A A H >< S+ 0 0 58 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.880 112.6 45.0 -58.3 -36.8 -28.8 40.3 21.2 52 62 A L H >< S+ 0 0 5 -4,-2.3 3,-0.8 1,-0.2 6,-0.3 0.750 102.5 64.4 -81.3 -21.8 -28.7 39.0 17.6 53 63 A L H 3< S+ 0 0 4 -4,-1.7 274,-1.6 -3,-0.3 275,-0.3 0.546 103.8 45.7 -83.5 -10.2 -28.5 35.4 18.5 54 64 A V T << S+ 0 0 82 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.321 92.5 109.0-100.7 1.4 -32.0 35.3 20.1 55 65 A D X - 0 0 30 -3,-0.8 3,-1.7 1,-0.1 -3,-0.0 -0.670 61.6-152.6 -90.3 121.4 -33.4 37.3 17.1 56 66 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 0.611 87.6 77.6 -67.4 -11.0 -35.7 35.5 14.7 57 67 A R T 3 S+ 0 0 73 -5,-0.1 218,-2.8 218,-0.1 219,-0.6 0.682 79.9 77.8 -74.5 -14.1 -34.6 37.8 11.9 58 68 A L E < S-C 274 0A 8 -3,-1.7 216,-0.2 -6,-0.3 2,-0.2 -0.867 75.9-152.4 -95.1 121.6 -31.3 35.9 11.5 59 69 A S E -C 273 0A 4 214,-3.2 214,-1.8 -2,-0.6 21,-0.1 -0.568 26.3-169.5 -97.0 156.4 -31.7 32.6 9.6 60 70 A S + 0 0 0 -2,-0.2 2,-1.7 212,-0.2 -1,-0.1 -0.090 40.0 141.0-121.7 23.1 -29.8 29.4 9.7 61 71 A D > + 0 0 53 1,-0.2 3,-2.5 212,-0.2 18,-0.2 -0.505 24.8 178.9 -73.2 84.0 -31.6 27.9 6.6 62 72 A W T 3 S+ 0 0 101 -2,-1.7 -1,-0.2 16,-1.1 5,-0.1 0.656 79.3 63.6 -60.8 -18.6 -28.7 26.1 4.9 63 73 A G T 3 S+ 0 0 59 15,-0.5 -1,-0.3 -3,-0.1 -2,-0.1 0.499 75.9 107.1 -78.7 -11.8 -31.2 25.0 2.2 64 74 A H S X S- 0 0 75 -3,-2.5 3,-2.6 1,-0.1 0, 0.0 -0.598 77.9-128.8 -71.7 130.7 -31.9 28.6 1.1 65 75 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.794 107.4 45.6 -52.0 -32.7 -30.3 29.2 -2.3 66 76 A D T 3 S+ 0 0 93 2,-0.1 3,-0.1 223,-0.0 -4,-0.1 0.190 76.8 137.4 -97.5 15.4 -28.5 32.3 -1.0 67 77 A F < - 0 0 21 -3,-2.6 206,-0.1 -6,-0.2 223,-0.1 -0.449 62.0-108.3 -60.5 130.0 -27.2 30.9 2.3 68 78 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.263 31.1-159.9 -63.2 140.4 -23.7 32.1 2.7 69 79 A V - 0 0 78 1,-0.1 -33,-0.3 -3,-0.1 -34,-0.2 -0.989 18.8-178.8-118.7 136.4 -20.8 29.7 2.3 70 80 A V 0 0 17 -2,-0.4 -35,-0.3 1,-0.2 -1,-0.1 0.648 360.0 360.0 -97.7 -23.5 -17.3 30.4 3.7 71 81 A V 0 0 124 298,-0.1 -1,-0.2 -37,-0.1 298,-0.0 -0.233 360.0 360.0 53.3 360.0 -16.0 27.0 2.3 72 ! 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 73 91 A A 0 0 104 0, 0.0 6,-0.1 0, 0.0 -10,-0.0 0.000 360.0 360.0 360.0 -8.0 -28.6 19.6 4.5 74 92 A F > - 0 0 46 4,-0.1 4,-1.4 1,-0.0 -12,-0.2 -0.844 360.0-124.9-117.9 127.0 -28.6 19.2 8.3 75 93 A P T 4 S- 0 0 12 0, 0.0 2,-2.2 0, 0.0 3,-0.1 -0.195 87.4 -2.2 -55.7 153.9 -31.3 18.8 11.0 76 94 A L T >4 S+ 0 0 15 1,-0.2 3,-1.0 4,-0.1 12,-0.1 -0.446 133.2 47.7 70.1 -75.7 -31.3 21.3 13.9 77 95 A I T 34 S+ 0 0 75 -2,-2.2 -1,-0.2 1,-0.3 251,-0.0 0.713 115.2 44.5 -77.3 -22.2 -28.2 23.4 13.1 78 96 A G T 3< S+ 0 0 2 -4,-1.4 -16,-1.1 -3,-0.1 -15,-0.5 0.068 105.1 68.5-114.9 21.9 -29.1 23.9 9.4 79 97 A V < - 0 0 27 -3,-1.0 2,-0.2 -18,-0.2 -18,-0.1 -0.950 61.8-141.4-135.6 156.7 -32.8 24.8 9.7 80 98 A D >> - 0 0 29 -2,-0.3 4,-2.7 1,-0.2 3,-0.6 -0.469 48.9 -34.8 -96.8 176.9 -35.1 27.5 10.9 81 99 A D T 34 S+ 0 0 102 1,-0.3 -1,-0.2 2,-0.3 0, 0.0 -0.449 115.0 32.9 -67.0 154.4 -38.5 27.2 12.6 82 100 A P T 3> S+ 0 0 111 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 -0.993 128.9 40.3 -80.8 -8.9 -40.8 25.5 12.6 83 101 A V H <> S+ 0 0 57 -3,-0.6 4,-2.5 1,-0.2 5,-0.3 0.934 115.3 55.1 -62.9 -42.4 -38.5 22.5 11.7 84 102 A H H X S+ 0 0 9 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.937 109.0 43.9 -52.7 -56.0 -35.9 23.7 14.1 85 103 A A H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 112.8 52.6 -65.5 -42.1 -38.1 23.9 17.2 86 104 A R H X S+ 0 0 103 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.940 113.2 42.4 -58.1 -43.0 -39.8 20.5 16.4 87 105 A Q H X S+ 0 0 7 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.936 115.7 49.7 -71.8 -41.9 -36.5 18.6 16.1 88 106 A R H >X S+ 0 0 46 -4,-2.6 4,-2.2 -5,-0.3 3,-0.8 0.911 107.0 52.4 -64.7 -39.1 -34.9 20.3 19.1 89 107 A R H 3< S+ 0 0 167 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.853 103.5 58.6 -73.6 -22.0 -37.9 19.7 21.5 90 108 A M H 3< S+ 0 0 11 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.820 114.1 39.7 -64.0 -30.3 -37.8 16.0 20.6 91 109 A L H X< S+ 0 0 0 -4,-1.0 3,-1.9 -3,-0.8 4,-0.4 0.776 90.9 83.3 -91.7 -28.9 -34.1 16.0 21.9 92 110 A I G >< S+ 0 0 86 -4,-2.2 3,-2.1 1,-0.3 -1,-0.1 0.859 87.0 55.1 -50.5 -46.3 -34.1 18.2 25.0 93 111 A P G > S+ 0 0 86 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 0.755 100.6 61.8 -65.4 -19.1 -35.2 15.6 27.5 94 112 A S G < S+ 0 0 2 -3,-1.9 -2,-0.2 1,-0.2 97,-0.1 0.570 98.2 57.7 -77.2 -8.4 -32.3 13.3 26.4 95 113 A F G < S+ 0 0 21 -3,-2.1 -1,-0.2 -4,-0.4 239,-0.1 0.009 83.3 138.1-109.0 25.7 -29.8 15.9 27.6 96 114 A G X> - 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