==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-NOV-09 3KV8 . COMPND 2 MOLECULE: FLUOROACETYL-COA THIOESTERASE FLK; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CATTLEYA; . AUTHOR M.V.B.DIAS,F.HUANG,D.Y.CHIRGADZE,M.TOSIN,D SPITELLER,E.F.VAL . 266 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 34.6 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 . 4 1.5 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 20.3 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 4 0 0 0 0 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 1 0 2 0 6 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 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 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 5 A M 0 0 79 0, 0.0 2,-0.5 0, 0.0 90,-0.0 0.000 360.0 360.0 360.0 107.1 17.8 -11.7 37.6 2 6 A R > - 0 0 61 88,-0.0 3,-2.2 1,-0.0 86,-0.3 -0.878 360.0-116.3-109.9 131.9 16.1 -9.7 40.4 3 7 A V T 3 S+ 0 0 93 -2,-0.5 86,-0.2 1,-0.2 3,-0.1 -0.366 106.7 28.5 -55.4 128.9 12.7 -7.8 40.1 4 8 A G T 3 S+ 0 0 42 84,-3.0 -1,-0.2 1,-0.4 85,-0.1 0.134 87.9 133.1 100.0 -19.2 13.5 -4.0 40.6 5 9 A E < - 0 0 66 -3,-2.2 83,-2.4 82,-0.1 -1,-0.4 -0.384 47.8-144.1 -60.1 135.7 17.1 -4.4 39.1 6 10 A R E -A 87 0A 163 81,-0.2 2,-0.4 -3,-0.1 81,-0.2 -0.841 15.0-171.2-104.1 141.9 17.8 -1.7 36.5 7 11 A F E -A 86 0A 56 79,-1.8 79,-3.1 -2,-0.3 2,-0.3 -0.998 9.6-158.1-129.5 137.2 19.9 -2.3 33.3 8 12 A T E -A 85 0A 59 -2,-0.4 2,-0.4 77,-0.2 77,-0.2 -0.908 9.3-171.6-125.3 149.8 21.0 0.6 31.1 9 13 A H E -A 84 0A 9 75,-2.3 75,-2.7 -2,-0.3 2,-0.3 -0.997 10.3-152.1-137.4 128.3 22.1 0.7 27.5 10 14 A D E +A 83 0A 103 -2,-0.4 2,-0.3 73,-0.2 73,-0.2 -0.845 14.5 176.8-112.6 143.4 23.6 3.8 25.6 11 15 A F E -A 82 0A 22 71,-2.0 71,-3.1 -2,-0.3 2,-0.5 -0.938 24.5-142.2-148.4 115.3 23.3 4.5 21.9 12 16 A V E -A 81 0A 86 -2,-0.3 69,-0.2 69,-0.3 68,-0.1 -0.674 33.5-122.7 -76.9 124.2 24.5 7.4 19.9 13 17 A V - 0 0 2 67,-2.8 66,-2.4 -2,-0.5 67,-0.1 -0.563 28.5-156.7 -76.8 119.3 21.8 8.0 17.3 14 18 A P > - 0 0 24 0, 0.0 3,-1.7 0, 0.0 66,-0.1 -0.509 32.1-102.2 -91.8 166.7 23.4 7.8 13.8 15 19 A P G > S+ 0 0 85 0, 0.0 3,-0.6 0, 0.0 6,-0.1 0.745 116.3 65.3 -58.2 -21.0 21.9 9.5 10.7 16 20 A H G 3 S+ 0 0 85 1,-0.2 -3,-0.0 5,-0.1 20,-0.0 0.203 86.2 70.3 -95.6 19.1 20.5 6.1 9.5 17 21 A K G < S+ 0 0 4 -3,-1.7 20,-2.0 4,-0.0 -1,-0.2 0.014 74.7 113.6-115.2 27.3 18.0 5.7 12.4 18 22 A T B X> S-J 36 0B 0 -3,-0.6 3,-1.4 18,-0.3 4,-1.1 -0.417 86.0 -94.0 -93.6 168.8 15.7 8.4 11.3 19 23 A V H >> S+ 0 0 19 16,-1.6 4,-1.2 14,-0.4 3,-0.9 0.883 121.3 56.1 -47.2 -51.2 12.2 7.9 10.1 20 24 A R H 34 S+ 0 0 72 1,-0.2 -1,-0.3 12,-0.2 6,-0.2 0.767 104.9 55.0 -59.4 -22.8 13.0 7.7 6.4 21 25 A H H <4 S+ 0 0 82 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.704 98.1 61.9 -82.7 -22.0 15.5 4.8 7.0 22 26 A L H << S+ 0 0 2 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.926 125.6 12.5 -66.2 -45.9 12.9 2.6 8.8 23 27 A Y >< + 0 0 1 -4,-1.2 3,-1.8 1,-0.1 -1,-0.3 -0.716 63.0 168.5-130.7 80.9 10.8 2.5 5.6 24 28 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.752 80.5 68.3 -62.3 -16.1 12.7 3.8 2.5 25 29 A E T 3 S+ 0 0 63 -3,-0.1 3,-0.1 1,-0.0 -5,-0.0 0.510 81.4 93.8 -72.6 -7.2 9.7 2.3 0.6 26 30 A S X> - 0 0 3 -3,-1.8 4,-0.7 -6,-0.2 3,-0.5 -0.826 54.6-168.0-101.6 110.4 7.3 4.9 2.0 27 31 A P H >> S+ 0 0 107 0, 0.0 4,-0.6 0, 0.0 3,-0.5 0.840 93.2 57.5 -62.7 -32.1 6.7 8.1 -0.0 28 32 A E H 34 S+ 0 0 67 1,-0.2 3,-0.2 2,-0.1 -8,-0.1 0.834 108.9 42.6 -56.2 -37.2 5.1 9.5 3.1 29 33 A F H X4 S+ 0 0 13 -3,-0.5 3,-1.3 -6,-0.2 -1,-0.2 0.517 93.4 87.8 -90.7 -8.1 8.2 9.1 5.3 30 34 A A H << S+ 0 0 48 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.1 0.899 97.9 31.5 -62.8 -48.3 10.6 10.3 2.5 31 35 A E T 3< S+ 0 0 162 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.1 -0.241 90.2 128.0-106.6 44.2 10.4 13.9 3.4 32 36 A F S < S- 0 0 25 -3,-1.3 -12,-0.2 1,-0.1 -3,-0.1 -0.734 71.3 -86.1 -89.4 149.0 9.8 13.5 7.2 33 37 A P - 0 0 4 0, 0.0 2,-2.1 0, 0.0 -14,-0.4 -0.097 47.4-100.8 -53.8 146.7 12.1 15.5 9.6 34 38 A E S S+ 0 0 72 -16,-0.1 2,-0.3 -15,-0.1 -16,-0.0 -0.526 72.5 136.0 -76.0 76.3 15.4 13.7 10.4 35 39 A V - 0 0 7 -2,-2.1 -16,-1.6 42,-0.2 2,-0.1 -0.941 66.0 -87.4-127.1 154.3 14.4 12.3 13.9 36 40 A F B -J 18 0B 2 40,-2.8 -18,-0.3 -2,-0.3 40,-0.2 -0.349 54.8-119.7 -57.8 124.7 15.0 9.0 15.6 37 41 A A >> - 0 0 3 -20,-2.0 4,-2.3 1,-0.1 3,-0.7 -0.352 6.6-126.4 -72.5 149.1 12.0 6.8 14.5 38 42 A T H 3> S+ 0 0 12 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.939 112.9 55.5 -57.6 -39.6 9.5 5.4 17.1 39 43 A G H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.866 108.2 47.1 -68.8 -29.1 10.1 1.9 15.6 40 44 A F H <> S+ 0 0 7 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.840 109.5 53.7 -70.5 -34.8 13.9 2.3 16.2 41 45 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.908 110.2 48.7 -63.8 -42.9 13.3 3.5 19.7 42 46 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.956 109.9 50.6 -57.6 -49.7 11.2 0.3 20.2 43 47 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.869 112.1 48.8 -56.9 -43.1 14.1 -1.8 18.7 44 48 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.895 110.6 49.1 -67.3 -39.9 16.5 -0.0 21.2 45 49 A M H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.912 113.6 46.5 -63.1 -44.5 14.3 -0.6 24.2 46 50 A E H X S+ 0 0 15 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.912 108.7 55.5 -66.3 -40.7 13.9 -4.3 23.2 47 51 A W H X S+ 0 0 20 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.920 105.4 53.2 -53.7 -47.5 17.7 -4.6 22.6 48 52 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.925 111.7 45.3 -53.4 -45.4 18.3 -3.3 26.2 49 53 A C H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.873 108.8 55.1 -73.0 -37.0 16.0 -6.0 27.6 50 54 A V H X S+ 0 0 14 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.936 111.8 45.1 -52.5 -48.1 17.5 -8.8 25.4 51 55 A R H >< S+ 0 0 99 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.919 111.1 54.3 -67.7 -44.0 20.9 -7.8 26.9 52 56 A A H 3< S+ 0 0 8 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.852 115.1 38.7 -55.4 -34.7 19.4 -7.7 30.5 53 57 A M H >X S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.2 4,-0.7 0.431 79.7 105.0-100.7 -1.5 18.0 -11.2 30.2 54 58 A A G X< S+ 0 0 53 -3,-0.8 3,-1.2 -4,-0.7 -1,-0.2 0.860 80.0 56.6 -47.8 -41.5 20.8 -13.0 28.3 55 59 A P G 34 S+ 0 0 112 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.760 99.0 60.8 -62.4 -27.1 21.9 -14.8 31.7 56 60 A Y G <4 S+ 0 0 75 -3,-1.6 -2,-0.2 -4,-0.1 2,-0.1 0.712 85.0 99.7 -69.1 -26.3 18.4 -16.2 32.1 57 61 A L << - 0 0 55 -3,-1.2 3,-0.1 -4,-0.7 6,-0.0 -0.424 60.5-148.8 -71.2 140.4 18.6 -18.2 28.8 58 62 A E > - 0 0 127 -2,-0.1 3,-1.9 1,-0.1 -2,-0.0 -0.589 45.2 -71.7 -92.3 162.0 19.4 -22.0 28.7 59 63 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.304 124.9 24.3 -54.0 133.7 21.3 -23.6 25.6 60 64 A G T 3 S+ 0 0 47 1,-0.3 61,-2.4 60,-0.1 62,-0.4 0.476 102.7 115.0 89.1 -2.6 19.0 -23.7 22.6 61 65 A E E < +B 120 0A 46 -3,-1.9 -1,-0.3 59,-0.2 2,-0.2 -0.738 31.0 160.6-104.7 154.8 16.8 -20.8 23.9 62 66 A G E -B 119 0A 10 57,-2.1 57,-2.6 -2,-0.3 2,-0.3 -0.726 28.4-115.5-143.9-163.1 16.2 -17.4 22.6 63 67 A S E -B 118 0A 7 55,-0.3 2,-0.4 -2,-0.2 55,-0.2 -0.989 10.0-153.0-143.1 156.8 13.4 -14.8 23.2 64 68 A L E -B 117 0A 38 53,-2.3 53,-2.5 -2,-0.3 2,-0.5 -0.987 24.6-123.2-124.9 146.2 10.6 -12.9 21.4 65 69 A G E +B 116 0A 9 -2,-0.4 51,-0.3 51,-0.2 3,-0.1 -0.694 30.2 177.8 -82.0 125.4 9.1 -9.5 22.2 66 70 A T E + 0 0 25 49,-2.6 140,-2.4 -2,-0.5 2,-0.3 0.464 61.4 13.5-111.3 -9.1 5.4 -10.1 22.8 67 71 A A E -BC 115 205A 14 48,-1.2 48,-2.1 138,-0.3 2,-0.4 -0.899 51.2-170.1-162.8 144.8 4.2 -6.6 23.7 68 72 A I E +BC 114 204A 0 136,-2.7 136,-2.5 -2,-0.3 2,-0.4 -0.996 8.6 174.3-137.0 125.8 5.4 -3.0 23.6 69 73 A a E +BC 113 203A 41 44,-2.9 44,-2.1 -2,-0.4 2,-0.3 -0.823 26.6 138.4-134.3 96.5 3.4 -0.3 25.4 70 74 A V E -BC 112 202A 7 132,-2.5 132,-2.6 -2,-0.4 42,-0.3 -0.964 44.6-132.6-141.1 157.1 5.2 3.1 25.3 71 75 A T E - C 0 201A 55 40,-2.3 2,-0.4 -2,-0.3 130,-0.3 -0.652 11.6-152.6 -98.9 161.1 4.9 6.8 24.9 72 76 A H + 0 0 19 128,-2.6 38,-0.3 -2,-0.2 37,-0.1 -0.880 25.4 166.2-135.6 103.5 7.2 8.8 22.6 73 77 A T + 0 0 91 36,-1.8 2,-0.3 -2,-0.4 37,-0.2 0.453 54.6 25.1-111.0 -7.1 7.2 12.3 24.1 74 78 A A S S- 0 0 25 35,-0.9 2,-0.3 33,-0.1 -1,-0.1 -0.971 74.6-115.5-157.6 157.0 10.1 14.3 22.5 75 79 A A - 0 0 19 -2,-0.3 32,-0.1 -3,-0.1 -38,-0.1 -0.664 19.8-155.6-103.2 150.3 12.1 14.1 19.3 76 80 A T - 0 0 0 -2,-0.3 -40,-2.8 -40,-0.2 3,-0.1 -0.967 3.0-153.7-131.9 119.5 15.8 13.3 18.9 77 81 A P > - 0 0 0 0, 0.0 3,-1.4 0, 0.0 -64,-0.2 -0.471 43.3 -79.7 -86.2 161.9 18.0 14.3 16.0 78 82 A P T 3 S+ 0 0 29 0, 0.0 3,-0.1 0, 0.0 -66,-0.0 -0.274 112.0 46.8 -58.8 147.3 21.1 12.3 15.1 79 83 A G T 3 S+ 0 0 38 -66,-2.4 2,-0.2 1,-0.5 187,-0.0 0.011 83.6 106.5 109.6 -25.4 24.2 12.9 17.3 80 84 A L S < S- 0 0 20 -3,-1.4 -67,-2.8 -67,-0.1 2,-0.6 -0.580 72.0-119.3 -81.5 158.4 22.5 12.7 20.7 81 85 A T E -A 12 0A 57 23,-0.4 2,-0.6 -69,-0.2 -69,-0.3 -0.843 21.1-154.1 -94.2 121.4 23.0 9.7 23.0 82 86 A V E -A 11 0A 0 -71,-3.1 -71,-2.0 -2,-0.6 2,-0.5 -0.874 8.3-161.9 -93.7 126.4 19.8 7.8 23.9 83 87 A T E -AD 10 103A 19 20,-2.9 20,-1.6 -2,-0.6 2,-0.4 -0.950 1.0-160.7-105.5 123.2 20.0 5.9 27.2 84 88 A V E -AD 9 102A 0 -75,-2.7 -75,-2.3 -2,-0.5 2,-0.5 -0.876 0.7-162.8-100.5 133.7 17.5 3.2 27.8 85 89 A T E -AD 8 101A 22 16,-2.6 16,-2.0 -2,-0.4 2,-0.5 -0.985 4.5-166.6-115.1 123.9 16.9 2.1 31.3 86 90 A A E -AD 7 100A 0 -79,-3.1 -79,-1.8 -2,-0.5 2,-0.5 -0.973 0.8-167.7-111.9 116.3 15.2 -1.3 31.7 87 91 A E E -AD 6 99A 69 12,-3.4 12,-2.4 -2,-0.5 -81,-0.2 -0.920 25.4-123.7-107.5 123.9 13.8 -2.2 35.2 88 92 A L E + D 0 98A 0 -83,-2.4 -84,-3.0 -2,-0.5 10,-0.3 -0.493 32.0 175.1 -70.9 130.4 12.8 -5.8 35.5 89 93 A R E - 0 0 124 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.715 61.3 -3.9-106.4 -36.8 9.2 -6.0 36.7 90 94 A S E - D 0 97A 56 7,-1.8 7,-2.2 -88,-0.1 -1,-0.4 -0.972 48.1-172.5-156.6 149.9 8.4 -9.8 36.7 91 95 A V E + D 0 96A 41 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.947 18.4 157.7-142.5 117.4 10.1 -13.1 35.7 92 96 A E E > - D 0 95A 70 3,-2.8 3,-2.4 -2,-0.4 2,-0.3 -0.816 64.2 -62.9-144.6 107.0 8.0 -16.3 35.8 93 97 A G T 3 S- 0 0 52 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.405 123.0 -5.0 60.2-116.9 9.1 -19.3 33.7 94 98 A R T 3 S+ 0 0 124 -2,-0.3 24,-2.8 -3,-0.1 2,-0.4 0.523 120.2 85.8 -83.8 -9.4 9.0 -18.3 30.1 95 99 A R E < +DE 92 117A 148 -3,-2.4 -3,-2.8 22,-0.2 2,-0.3 -0.812 48.8 173.0-108.2 127.8 7.5 -14.8 30.7 96 100 A L E -DE 91 116A 3 20,-2.5 20,-2.8 -2,-0.4 2,-0.3 -0.983 7.3-169.9-133.3 145.9 9.5 -11.6 31.5 97 101 A S E -DE 90 115A 18 -7,-2.2 -8,-3.3 -2,-0.3 -7,-1.8 -0.997 4.8-176.9-136.1 139.8 8.2 -8.0 31.9 98 102 A W E -DE 88 114A 0 16,-2.9 16,-2.1 -2,-0.3 2,-0.5 -0.967 27.6-131.9-132.0 154.2 10.1 -4.7 32.2 99 103 A R E -DE 87 113A 86 -12,-2.4 -12,-3.4 -2,-0.3 2,-0.4 -0.887 36.2-167.5 -89.5 129.8 9.4 -1.0 32.7 100 104 A V E +DE 86 112A 0 12,-2.5 12,-2.4 -2,-0.5 2,-0.3 -0.905 13.0 174.7-118.1 149.1 11.5 0.8 30.1 101 105 A S E -DE 85 111A 25 -16,-2.0 -16,-2.6 -2,-0.4 2,-0.3 -0.972 10.7-158.1-147.2 153.3 12.3 4.4 29.7 102 106 A A E -DE 84 110A 1 8,-2.5 7,-2.8 -2,-0.3 8,-1.2 -0.990 8.5-179.3-134.6 148.4 14.6 6.5 27.4 103 107 A H E -DE 83 108A 71 -20,-1.6 -20,-2.9 -2,-0.3 5,-0.2 -0.981 20.0-151.3-143.0 141.5 16.2 9.9 27.6 104 108 A D - 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