==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-MAY-11 3RXO . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.YAMANE,M.YAO,Y.ZHOU,I.TANAKA . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 3 1.3 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 19 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.2 -8.0 -8.5 14.5 2 20 A V B +A 171 0A 10 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.874 360.0 5.5-100.8 131.2 -10.3 -9.3 17.5 3 21 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.730 102.7 121.4 72.7 23.6 -12.0 -6.4 19.3 4 22 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.018 56.7-111.1 -96.5-156.1 -10.7 -3.8 16.9 5 23 A Y E -B 137 0B 96 132,-2.5 132,-3.0 -3,-0.1 2,-0.5 -0.949 34.5 -89.4-139.9 157.6 -12.4 -1.3 14.6 6 24 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.595 37.1-151.0 -68.1 118.1 -12.9 -0.7 10.9 7 25 A a - 0 0 19 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.903 35.2-112.9 -57.8 -45.3 -9.9 1.3 9.9 8 26 A G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.039 47.7 -56.8 106.9 139.9 -11.5 3.1 7.0 9 27 A A T 3 S- 0 0 54 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.244 117.4 -12.5 -58.4 123.7 -10.5 2.7 3.3 10 28 A N T 3 S+ 0 0 24 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.672 91.8 126.6 63.0 23.1 -6.8 3.3 2.6 11 29 A T S < S+ 0 0 85 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.531 74.2 50.6 -83.9 -9.7 -6.2 5.0 6.0 12 30 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.730 74.1 175.2-123.2 76.3 -3.3 2.5 6.6 13 31 A P T 3 S+ 0 0 30 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.601 72.3 55.7 -71.8 -12.5 -1.5 3.1 3.3 14 32 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.504 82.2 108.1 -90.7 -9.7 1.6 0.9 4.1 15 33 A Q E < -J 28 0C 5 -3,-1.9 37,-0.4 13,-0.2 36,-0.4 -0.575 49.5-175.2 -73.1 125.3 -0.6 -2.2 4.8 16 34 A V E -J 27 0C 1 11,-2.4 11,-1.1 -2,-0.4 2,-0.5 -0.835 20.5-137.9-116.0 158.7 -0.4 -4.8 2.1 17 35 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.970 14.4-143.4-109.8 129.2 -2.2 -8.1 1.5 18 36 A L E -JK 25 48C 0 7,-2.9 6,-2.4 -2,-0.5 7,-1.0 -0.857 24.4-168.5 -91.6 126.2 -0.1 -11.1 0.3 19 37 A N E +JK 23 47C 23 28,-2.9 28,-2.6 -2,-0.5 4,-0.2 -0.963 30.5 166.9-126.0 128.8 -2.2 -13.1 -2.1 20 38 A S S S- 0 0 30 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.324 97.7 -45.2-127.5 48.1 -1.6 -16.6 -3.5 21 39 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.177 140.8 25.8 102.9 -11.2 -5.1 -17.1 -5.0 22 40 A Y S S- 0 0 130 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.937 102.5 -79.5-171.6 154.2 -6.5 -15.7 -1.7 23 41 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.552 51.7 157.7 -64.9 131.7 -5.3 -13.5 1.1 24 42 A F E + 0 0 34 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.517 58.1 5.5-130.7 -14.8 -3.0 -15.4 3.5 25 43 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.985 62.1-119.7-162.8 157.7 -0.8 -12.8 5.3 26 44 A G E +J 17 0C 0 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.428 28.3 179.4 -90.2 176.1 -0.2 -9.1 5.8 27 45 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.1 2,-0.4 -0.954 23.6-119.8-164.9 171.2 2.9 -7.1 5.1 28 46 A S E -JL 15 36C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.993 19.0-132.3-127.4 129.4 4.3 -3.6 5.3 29 47 A L E + L 0 35C 0 -15,-2.4 74,-2.3 -2,-0.4 6,-0.2 -0.681 27.5 172.5 -78.0 121.8 5.5 -1.5 2.3 30 48 A I E - 0 0 19 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.574 67.1 -8.5-111.8 -15.8 8.9 -0.0 3.3 31 49 A N E > S- L 0 34C 49 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.935 88.8 -78.3-158.6-175.7 9.8 1.5 -0.1 32 50 A S T 3 S+ 0 0 40 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.722 128.3 29.2 -60.3 -21.2 8.5 1.4 -3.7 33 51 A Q T 3 S+ 0 0 77 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.444 110.7 69.2-116.4 -4.7 10.1 -2.0 -4.3 34 52 A W E < -LM 31 89C 1 -3,-0.7 -4,-2.4 55,-0.2 -3,-1.3 -0.963 47.0-171.5-134.4 138.9 10.1 -3.8 -0.9 35 53 A V E -LM 29 88C 0 53,-2.7 53,-2.7 -2,-0.4 2,-0.4 -0.947 14.3-147.2-121.1 140.2 7.7 -5.3 1.6 36 54 A V E +LM 28 87C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.930 32.5 148.5-105.5 134.8 8.5 -6.6 5.1 37 55 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.3 -0.731 49.5 -67.1-143.4-168.9 6.4 -9.6 6.4 38 56 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.716 32.9-132.2 -89.3 141.4 6.8 -12.6 8.7 39 57 A A G > S+ 0 0 2 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.827 108.2 64.5 -57.5 -33.5 9.1 -15.5 7.8 40 58 A H G 3 S+ 0 0 61 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.602 93.1 64.1 -70.0 -7.7 6.3 -17.9 8.7 41 59 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.402 76.8 129.7 -87.7 -0.2 4.4 -16.2 5.8 42 60 A Y < + 0 0 137 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.312 22.2 130.5 -59.8 133.9 6.9 -17.6 3.3 43 61 A K - 0 0 54 -2,-0.0 3,-0.2 3,-0.0 2,-0.1 -0.921 53.2 -99.6-164.2 168.3 5.6 -19.4 0.2 44 62 A S S S+ 0 0 99 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.468 94.3 42.3 -86.8 165.8 6.1 -19.3 -3.5 45 63 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.893 73.7 171.3 69.3 44.3 3.8 -17.5 -6.0 46 64 A I - 0 0 9 -3,-0.2 21,-2.6 21,-0.1 2,-0.5 -0.737 19.4-167.5 -91.2 129.3 3.1 -14.4 -4.0 47 65 A Q E -KN 19 66C 51 -28,-2.6 -28,-2.9 -2,-0.4 2,-0.5 -0.979 17.6-140.6-108.6 128.0 1.3 -11.4 -5.4 48 66 A V E -KN 18 65C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.6 -0.781 13.0-159.2 -88.6 128.1 1.5 -8.3 -3.3 49 67 A R E -KN 17 64C 49 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.940 13.2-178.5-115.1 111.7 -1.7 -6.3 -3.2 50 68 A L E + N 0 63C 2 13,-3.0 13,-1.9 -2,-0.6 -34,-0.1 -0.659 60.2 32.8-104.4 161.4 -1.4 -2.6 -2.3 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.723 84.3 155.9 67.3 24.1 -4.0 0.0 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.586 22.5 149.3 -86.2 140.6 -6.6 -2.5 -0.5 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.1 0.341 81.7 30.7-117.4 -81.6 -9.6 -2.0 1.7 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.669 72.7-162.2 -74.0 111.6 -12.1 -4.7 0.8 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.575 86.6 53.9 -74.9 -8.3 -9.9 -7.6 -0.4 56 74 A N T 3 S+ 0 0 127 77,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.464 106.0 56.8-100.1 -4.1 -12.8 -9.2 -2.2 57 75 A V S < S- 0 0 75 -3,-1.1 2,-0.8 76,-0.1 -4,-0.3 -0.991 77.8-129.2-132.8 133.3 -13.8 -6.2 -4.3 58 76 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.745 33.3 172.9 -79.3 109.6 -11.8 -4.1 -6.8 59 77 A E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -4,-0.0 0.544 50.4 -99.8-103.1 -12.2 -12.5 -0.6 -5.4 60 78 A G S S+ 0 0 61 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.320 104.2 75.6 118.2 -6.9 -10.1 1.5 -7.6 61 79 A N + 0 0 69 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.338 68.3 118.4-113.0 6.7 -7.0 2.2 -5.5 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.3 -0.335 42.6-165.4 -75.3 150.8 -5.3 -1.2 -5.7 63 81 A Q E -N 50 0C 39 -13,-1.9 -13,-3.0 -2,-0.1 2,-0.6 -0.984 7.6-161.1-129.1 125.9 -2.0 -2.1 -7.2 64 82 A F E +N 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.947 18.4 168.5-108.2 117.8 -1.3 -5.8 -7.8 65 83 A I E -N 48 0C 14 -17,-2.7 -17,-2.9 -2,-0.6 2,-0.1 -0.990 28.5-130.5-137.5 123.2 2.4 -6.6 -8.2 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.374 28.4-109.9 -71.6 148.1 4.0 -10.1 -8.3 67 85 A A E -O 90 0C 21 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.599 23.3-170.0 -76.0 137.1 7.0 -10.8 -6.1 68 86 A S E S+ 0 0 62 21,-2.6 2,-0.3 1,-0.4 22,-0.2 0.686 73.7 4.4 -93.7 -26.6 10.3 -11.3 -7.9 69 87 A K E -O 89 0C 89 20,-1.1 20,-2.9 2,-0.0 2,-0.4 -0.981 57.0-156.1-158.3 143.1 12.2 -12.6 -4.8 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.974 8.4-164.2-120.1 141.6 11.6 -13.4 -1.2 71 89 A I E -O 87 0C 35 16,-3.2 16,-2.7 -2,-0.4 2,-0.2 -0.914 4.3-161.0-129.0 101.8 14.3 -13.4 1.4 72 90 A V E -O 86 0C 46 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.597 41.8 -90.6 -75.2 141.5 13.6 -15.2 4.7 73 91 A H > - 0 0 22 12,-2.2 3,-1.9 10,-0.3 -1,-0.1 -0.274 33.4-125.5 -54.8 136.9 15.9 -14.1 7.5 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.772 108.4 44.3 -58.0 -26.7 19.1 -16.3 7.6 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.209 78.7 138.2-104.9 12.5 18.5 -17.1 11.3 76 94 A Y < - 0 0 52 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.414 34.7-164.5 -61.2 127.4 14.7 -17.8 11.2 77 95 A N > - 0 0 67 5,-2.1 4,-1.9 -2,-0.1 5,-0.5 -0.973 7.3-162.1-114.1 114.8 13.8 -20.8 13.2 78 96 A S T 4 S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.666 87.1 56.1 -73.9 -16.7 10.3 -22.1 12.4 79 97 A N T 4 S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.922 123.9 21.7 -76.9 -47.2 9.9 -24.1 15.6 80 98 A T T 4 S- 0 0 75 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.567 97.2-132.4 -93.6 -14.1 10.6 -21.2 18.0 81 99 A L >< + 0 0 33 -4,-1.9 3,-0.8 1,-0.2 2,-0.2 0.622 48.0 160.4 60.7 20.0 9.7 -18.4 15.5 82 100 A N T 3 + 0 0 38 -5,-0.5 -5,-2.1 1,-0.2 -1,-0.2 -0.503 67.1 16.5 -67.0 136.4 12.9 -16.6 16.5 83 101 A N T 3 S- 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.908 79.9-179.8 63.5 47.2 13.8 -14.1 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.502 35.6 114.5 -81.8 75.7 10.3 -14.2 12.2 85 103 A I + 0 0 0 -2,-2.0 -12,-2.2 -47,-0.3 2,-0.3 -0.998 36.4 177.5-148.2 144.0 11.0 -11.7 9.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.993 18.7-140.5-147.1 145.6 11.1 -11.8 5.6 87 105 A L E -MO 36 71C 0 -16,-2.7 -16,-3.2 -2,-0.3 2,-0.4 -0.894 13.5-164.3-107.5 141.2 11.7 -9.4 2.8 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.7 -2,-0.4 2,-0.4 -0.994 7.0-151.4-126.1 124.8 9.7 -9.5 -0.5 89 107 A K E -MO 34 69C 43 -20,-2.9 -21,-2.6 -2,-0.4 -20,-1.1 -0.827 15.9-130.9 -96.7 135.8 10.8 -7.6 -3.6 90 108 A L E - 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0 0 28 -88,-1.4 -72,-0.3 -2,-0.4 2,-0.1 -0.975 44.6-113.4-141.7 147.9 2.8 4.8 1.0 102 120 A S - 0 0 57 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.408 25.5-133.2 -76.7 156.8 5.9 3.3 2.7 103 121 A I - 0 0 15 -74,-2.3 83,-0.1 -89,-0.2 2,-0.1 -0.941 26.1-111.9-110.8 137.1 6.3 3.2 6.4 104 122 A S B -c 186 0B 64 81,-0.6 83,-2.6 -2,-0.4 -73,-0.1 -0.344 25.0-123.2 -66.1 142.6 9.6 4.3 8.1 105 123 A L - 0 0 27 81,-0.2 83,-0.1 -75,-0.1 -1,-0.1 -0.520 39.5 -95.6 -76.2 154.0 11.9 1.8 9.8 106 124 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.396 21.7-161.5 -71.0 149.0 12.7 2.6 13.4 107 125 A T S S+ 0 0 132 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.557 84.4 11.5 -97.7 -18.9 15.8 4.4 14.4 108 126 A S S S- 0 0 79 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.966 92.1 -89.3-147.9 166.4 15.5 3.1 17.9 109 127 A c - 0 0 54 -2,-0.3 2,-0.3 -3,-0.1 79,-0.0 -0.507 41.3-119.6 -78.1 142.9 13.4 0.5 19.7 110 128 A A - 0 0 30 -2,-0.2 2,-0.1 78,-0.1 3,-0.1 -0.619 29.9-124.1 -84.6 143.3 10.0 1.5 21.2 111 129 A S > - 0 0 85 -2,-0.3 3,-2.0 1,-0.1 31,-0.3 -0.381 31.1 -83.2 -87.3 160.2 9.5 1.1 24.9 112 130 A A T 3 S+ 0 0 59 1,-0.2 31,-0.2 -2,-0.1 -1,-0.1 -0.339 118.2 34.8 -53.1 137.2 6.9 -0.7 27.0 113 131 A G T 3 S+ 0 0 52 29,-3.1 -1,-0.2 1,-0.4 2,-0.1 0.144 82.6 135.4 95.8 -18.4 3.8 1.5 27.2 114 132 A T < - 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