==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-OCT-10 3P3O . COMPND 2 MOLECULE: CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES THIOLUTEUS; . AUTHOR G.ZOCHER,M.E.A.RICHTER,U.MUELLER,C.HERTWECK . 416 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18177.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 6.2 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 . 2 0.5 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 . 18 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 41.1 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 2 0 0 1 2 5 1 2 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 1 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 . 0 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 -9 A I 0 0 32 0, 0.0 400,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 158.5 19.9 8.0 39.0 2 -8 A S - 0 0 5 183,-0.3 185,-0.2 398,-0.1 2,-0.1 -0.647 360.0-121.7 -71.3 128.2 17.8 7.9 35.9 3 -7 A E - 0 0 79 183,-0.6 2,-0.4 -2,-0.4 186,-0.2 -0.448 28.0-148.2 -52.0 141.3 17.6 4.5 34.4 4 -6 A F > - 0 0 5 -2,-0.1 2,-3.5 186,-0.1 3,-0.7 -0.948 26.5-105.1-116.5 147.0 18.9 4.7 30.9 5 -5 A D T 3 S+ 0 0 101 184,-0.5 4,-0.0 -2,-0.4 -2,-0.0 -0.297 81.3 122.1 -71.0 59.0 17.4 2.5 28.1 6 -4 A S T > - 0 0 7 -2,-3.5 3,-1.9 3,-0.1 -1,-0.2 0.919 41.7-177.4 -75.0 -54.3 20.5 0.2 28.1 7 -3 A E T < S- 0 0 182 -3,-0.7 48,-0.1 1,-0.3 -2,-0.1 0.696 76.0 -57.9 62.7 24.0 18.2 -2.7 28.9 8 -2 A G T 3> S+ 0 0 8 46,-0.9 4,-2.8 45,-0.0 -1,-0.3 0.004 112.4 119.1 101.0 -27.0 21.3 -4.8 29.1 9 -1 A S H <> S+ 0 0 77 -3,-1.9 4,-2.0 1,-0.2 5,-0.2 0.778 75.4 33.4 -54.2 -52.5 22.4 -4.0 25.6 10 0 A N H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.861 121.9 49.0 -75.5 -32.0 25.8 -2.3 25.8 11 1 A M H > S+ 0 0 6 43,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.810 109.4 56.6 -68.9 -33.1 26.7 -4.3 28.8 12 2 A S H X S+ 0 0 43 -4,-2.8 4,-1.8 42,-0.2 -2,-0.2 0.935 106.1 46.4 -65.1 -47.2 25.7 -7.3 26.8 13 3 A T H < S+ 0 0 82 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.912 115.6 47.1 -64.4 -41.1 28.0 -6.7 23.9 14 4 A T H >X S+ 0 0 19 -4,-1.7 3,-2.0 1,-0.2 4,-0.7 0.914 108.3 55.3 -64.0 -43.1 30.9 -6.0 26.3 15 5 A A H >< S+ 0 0 23 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.882 102.9 56.8 -60.3 -31.4 30.1 -9.1 28.3 16 6 A H T 3< S+ 0 0 160 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.526 111.8 42.8 -74.5 -5.1 30.3 -11.2 25.1 17 7 A T T <4 S+ 0 0 92 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.413 97.7 78.7-118.6 -1.7 33.9 -9.9 24.5 18 8 A E X< - 0 0 23 -4,-0.7 3,-1.7 -3,-0.7 4,-0.4 -0.890 47.5-171.4-122.3 104.9 35.5 -10.1 27.9 19 9 A P G > S+ 0 0 111 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.840 90.3 64.2 -58.6 -28.9 36.7 -13.4 29.4 20 10 A S G 3 S+ 0 0 28 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.610 99.6 53.8 -73.7 -9.2 37.3 -11.6 32.7 21 11 A W G X S+ 0 0 4 -3,-1.7 3,-1.6 -6,-0.2 -1,-0.3 0.542 83.4 91.8 -92.9 -6.2 33.6 -11.0 32.9 22 12 A A T < S+ 0 0 91 -3,-1.5 -2,-0.1 -4,-0.4 -1,-0.1 0.803 90.3 39.2 -63.4 -34.7 32.7 -14.7 32.5 23 13 A D T 3 S+ 0 0 112 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.281 87.2 119.2 -97.4 10.6 32.6 -15.6 36.2 24 14 A L < - 0 0 11 -3,-1.6 27,-0.2 1,-0.1 -3,-0.0 -0.585 66.7-119.3 -80.5 130.0 30.9 -12.4 37.4 25 15 A P - 0 0 19 0, 0.0 27,-2.7 0, 0.0 2,-0.4 -0.386 24.6-128.1 -61.4 148.2 27.6 -12.9 39.1 26 16 A F B -a 52 0A 86 25,-0.2 2,-0.4 2,-0.0 27,-0.2 -0.860 24.3-177.4-101.4 131.8 24.6 -11.3 37.5 27 17 A L - 0 0 1 25,-2.5 2,-1.3 -2,-0.4 3,-0.1 -0.993 17.2-153.3-128.4 122.9 22.2 -9.0 39.5 28 18 A D > + 0 0 59 -2,-0.4 3,-1.6 1,-0.2 6,-0.2 -0.635 25.6 165.6 -97.8 76.5 19.2 -7.5 37.8 29 19 A F T 3 + 0 0 11 -2,-1.3 373,-0.2 1,-0.3 -1,-0.2 0.580 68.1 65.5 -70.3 -11.5 18.8 -4.4 40.0 30 20 A T T 3 S+ 0 0 38 -3,-0.1 -1,-0.3 371,-0.1 -2,-0.1 0.552 74.6 111.1 -88.2 -8.9 16.4 -2.8 37.6 31 21 A D S X S- 0 0 68 -3,-1.6 3,-2.1 1,-0.1 -3,-0.0 -0.490 75.2-130.6 -65.9 129.9 13.7 -5.5 38.2 32 22 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.760 107.7 47.4 -54.5 -24.0 10.8 -4.0 40.1 33 23 A N T 3 S+ 0 0 146 2,-0.0 -4,-0.1 0, 0.0 -2,-0.1 0.430 83.0 121.1 -98.2 -3.4 11.0 -6.9 42.6 34 24 A F < - 0 0 42 -3,-2.1 2,-0.4 -6,-0.2 -5,-0.1 -0.332 43.8-162.6 -59.5 140.3 14.8 -6.9 43.2 35 25 A S > - 0 0 55 1,-0.1 3,-1.5 -2,-0.0 6,-0.2 -0.997 24.7-142.9-126.2 134.5 15.9 -6.4 46.8 36 26 A W T 3 S+ 0 0 43 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.668 106.0 55.3 -66.0 -14.1 19.4 -5.3 48.0 37 27 A D T 3 S+ 0 0 90 4,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.239 77.8 124.3-100.5 7.3 18.8 -7.8 50.9 38 28 A S S X> S- 0 0 27 -3,-1.5 4,-1.4 1,-0.1 3,-1.0 -0.372 71.7-118.9 -67.8 149.8 18.1 -10.8 48.8 39 29 A P H 3> S+ 0 0 104 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.810 113.4 60.9 -56.2 -33.7 20.2 -13.9 49.5 40 30 A E H 3> S+ 0 0 109 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.798 100.5 56.6 -68.0 -25.5 21.5 -13.9 45.9 41 31 A V H <> S+ 0 0 2 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.948 110.0 42.5 -69.1 -49.7 23.0 -10.4 46.6 42 32 A A H X S+ 0 0 28 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.898 113.5 53.5 -60.6 -42.5 25.0 -11.6 49.5 43 33 A E H X S+ 0 0 122 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.883 106.4 53.1 -57.9 -40.6 25.9 -14.7 47.6 44 34 A A H X S+ 0 0 5 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.919 108.7 48.7 -62.8 -45.1 27.2 -12.5 44.7 45 35 A R H < S+ 0 0 8 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.887 110.5 51.1 -62.1 -41.1 29.4 -10.5 47.1 46 36 A E H < S+ 0 0 128 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.873 115.9 43.7 -59.7 -38.3 30.8 -13.8 48.5 47 37 A K H < S+ 0 0 139 -4,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.869 127.1 4.5 -72.0 -41.5 31.5 -15.0 45.0 48 38 A S < - 0 0 11 -4,-2.5 -1,-0.2 -5,-0.2 12,-0.1 -0.999 52.9-131.6-152.2 144.5 33.0 -11.8 43.5 49 39 A W S S+ 0 0 11 -2,-0.3 11,-2.9 266,-0.1 12,-1.1 0.690 100.7 34.3 -65.2 -19.5 34.1 -8.3 44.4 50 40 A I E - B 0 59A 0 9,-0.3 2,-0.3 10,-0.2 9,-0.2 -0.990 68.2-161.7-142.5 143.1 32.1 -7.1 41.4 51 41 A A E - B 0 58A 0 7,-2.6 7,-2.8 -2,-0.3 2,-0.4 -0.807 20.1-122.1-118.2 158.9 28.9 -8.1 39.6 52 42 A R E +aB 26 57A 70 -27,-2.7 -25,-2.5 -2,-0.3 5,-0.2 -0.855 31.3 174.5 -97.9 143.0 27.4 -7.5 36.1 53 43 A T - 0 0 0 3,-1.3 -25,-0.2 -2,-0.4 -45,-0.0 -0.819 48.6 -96.1-132.0 174.0 24.0 -5.8 35.9 54 44 A P S S+ 0 0 12 0, 0.0 -46,-0.9 0, 0.0 -43,-0.5 0.718 121.3 30.7 -66.1 -20.2 22.1 -4.7 32.8 55 45 A L S S- 0 0 1 1,-0.3 2,-0.3 -48,-0.1 -27,-0.0 0.603 125.6 -12.4-110.5 -18.6 23.4 -1.1 33.2 56 46 A A S S- 0 0 0 267,-0.1 -3,-1.3 270,-0.0 -1,-0.3 -0.985 70.7 -84.2-173.1 156.4 26.8 -1.3 34.8 57 47 A L E -Bc 52 325A 0 267,-2.6 269,-3.2 -2,-0.3 2,-0.5 -0.644 48.5-146.0 -73.4 142.8 29.4 -3.3 36.6 58 48 A L E -Bc 51 326A 0 -7,-2.8 -7,-2.6 -2,-0.3 2,-0.4 -0.955 1.2-142.7-126.2 115.5 28.4 -3.2 40.2 59 49 A V E +Bc 50 327A 0 267,-2.8 269,-2.5 -2,-0.5 -9,-0.3 -0.634 20.7 176.9 -84.7 125.8 31.1 -3.1 43.0 60 50 A L + 0 0 0 -11,-2.9 2,-0.3 -2,-0.4 -10,-0.2 0.570 50.5 73.7-109.2 -18.4 30.0 -5.2 46.0 61 51 A R S > S- 0 0 37 -12,-1.1 4,-2.0 1,-0.1 271,-0.2 -0.780 74.8-126.5-107.3 154.2 33.0 -5.2 48.5 62 52 A Y H > S+ 0 0 21 270,-0.4 4,-1.8 -2,-0.3 5,-0.2 0.908 102.2 50.0 -66.6 -50.0 34.0 -2.3 50.6 63 53 A A H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.953 116.1 42.3 -55.7 -50.6 37.7 -2.0 49.8 64 54 A E H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.819 107.7 60.5 -69.4 -32.4 37.1 -2.0 46.0 65 55 A A H X S+ 0 0 1 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.894 111.3 41.3 -59.8 -40.4 34.1 0.3 46.3 66 56 A D H X S+ 0 0 33 -4,-1.8 4,-0.9 -3,-0.2 -2,-0.2 0.910 113.0 54.4 -73.8 -42.5 36.4 2.9 47.8 67 57 A Q H >X S+ 0 0 92 -4,-2.5 3,-0.8 -5,-0.2 4,-0.8 0.948 113.6 40.8 -52.0 -51.4 39.3 2.2 45.4 68 58 A L H 3< S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.755 105.4 62.1 -82.7 -20.1 37.1 2.7 42.4 69 59 A A H 3< S+ 0 0 4 -4,-1.2 294,-0.3 -5,-0.3 -1,-0.3 0.773 114.7 38.8 -65.1 -23.2 35.2 5.8 43.7 70 60 A R H << S+ 0 0 127 -4,-0.9 2,-0.4 -3,-0.8 -2,-0.2 0.548 85.9 113.8-101.3 -14.8 38.7 7.4 43.7 71 61 A D >< - 0 0 30 -4,-0.8 3,-2.2 1,-0.2 -3,-0.0 -0.474 57.1-149.9 -72.5 121.2 40.2 6.0 40.5 72 62 A K T 3 S+ 0 0 169 -2,-0.4 -1,-0.2 1,-0.3 -4,-0.0 0.642 93.1 70.9 -69.6 -12.6 40.8 8.8 38.0 73 63 A R T 3 S+ 0 0 71 1,-0.1 236,-3.0 235,-0.1 2,-0.6 0.558 88.4 71.5 -75.6 -11.0 40.3 6.4 35.2 74 64 A L E < S-D 308 0A 8 -3,-2.2 234,-0.2 234,-0.2 -1,-0.1 -0.940 73.5-178.3-107.0 106.0 36.6 6.3 36.2 75 65 A I E -D 307 0A 61 232,-2.4 232,-2.3 -2,-0.6 29,-0.1 -0.312 41.5 -60.7 -96.1 176.9 35.1 9.7 35.2 76 66 A S - 0 0 8 230,-0.2 4,-0.3 1,-0.1 230,-0.2 -0.351 43.9-147.3 -58.6 137.0 31.6 11.1 35.7 77 67 A G S >> S+ 0 0 4 228,-0.5 4,-1.7 24,-0.2 3,-0.6 0.732 76.3 81.5 -77.1 -21.7 29.0 8.9 33.9 78 68 A F H 3> S+ 0 0 18 23,-0.3 4,-2.2 1,-0.2 5,-0.2 0.853 85.1 54.1 -66.9 -39.9 26.4 11.5 32.9 79 69 A R H 3> S+ 0 0 113 23,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.832 111.3 44.9 -63.9 -34.3 27.9 13.0 29.7 80 70 A G H <> S+ 0 0 46 -3,-0.6 4,-2.6 -4,-0.3 -1,-0.2 0.876 111.6 53.7 -73.9 -38.7 28.4 9.6 28.0 81 71 A L H X S+ 0 0 13 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.868 107.1 50.8 -61.6 -42.2 24.9 8.5 29.0 82 72 A V H X>S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 5,-1.3 0.888 111.5 48.4 -63.3 -40.8 23.3 11.7 27.5 83 73 A D H <5S+ 0 0 69 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.909 115.3 45.1 -62.7 -45.1 25.2 11.0 24.2 84 74 A M H <5S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.939 115.2 45.2 -64.1 -51.3 24.1 7.3 24.2 85 75 A V H <5S- 0 0 16 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.806 105.3-128.8 -66.6 -31.1 20.4 8.1 25.1 86 76 A G T <5 - 0 0 50 -4,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.746 29.6-168.6 88.3 27.4 20.2 10.9 22.5 87 77 A T < - 0 0 9 -5,-1.3 -1,-0.2 -6,-0.2 3,-0.1 -0.204 27.1-113.1 -48.2 127.3 18.8 13.6 24.9 88 78 A P - 0 0 88 0, 0.0 5,-0.4 0, 0.0 2,-0.2 -0.216 36.4 -86.2 -63.9 158.2 17.8 16.5 22.7 89 79 A E S S+ 0 0 144 4,-0.1 3,-0.1 -3,-0.1 0, 0.0 -0.508 86.8 89.4 -61.3 127.3 19.5 19.9 22.9 90 80 A G S > S- 0 0 21 -2,-0.2 4,-2.4 -3,-0.1 5,-0.1 -0.976 89.6 -53.0 163.7-176.5 17.8 21.8 25.7 91 81 A P H > S+ 0 0 65 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.815 125.6 51.7 -61.7 -36.4 17.6 22.6 29.4 92 82 A V H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.945 113.2 44.2 -67.6 -47.2 17.6 19.0 30.6 93 83 A R H > S+ 0 0 60 -5,-0.4 4,-2.1 2,-0.2 5,-0.3 0.905 111.5 56.6 -58.8 -42.3 20.7 18.0 28.6 94 84 A D H X S+ 0 0 59 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.942 110.1 42.6 -55.6 -51.6 22.3 21.3 29.7 95 85 A F H X S+ 0 0 4 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.907 113.0 51.9 -66.1 -43.4 21.9 20.5 33.4 96 86 A M H < S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.825 116.9 39.5 -67.6 -27.3 22.9 16.8 33.1 97 87 A V H < S+ 0 0 15 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.785 126.2 34.7 -89.8 -25.0 26.1 17.7 31.2 98 88 A D H < S+ 0 0 48 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.610 84.8 106.7-109.7 -14.4 27.0 20.7 33.2 99 89 A F S >X S- 0 0 6 -4,-2.8 3,-2.4 -5,-0.2 4,-0.6 -0.259 86.0-100.6 -67.7 160.7 25.9 20.1 36.9 100 90 A L G >4 S+ 0 0 14 1,-0.3 3,-1.2 145,-0.2 -1,-0.1 0.811 119.9 60.0 -57.3 -35.3 28.8 19.5 39.3 101 91 A Q G 34 S+ 0 0 96 1,-0.3 -1,-0.3 -25,-0.0 -23,-0.3 0.665 104.4 50.5 -65.8 -19.5 28.3 15.7 39.3 102 92 A S G <4 S+ 0 0 0 -3,-2.4 -1,-0.3 -7,-0.2 -23,-0.3 0.513 94.4 94.5 -95.0 -11.3 28.9 15.5 35.6 103 93 A L << - 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