==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-APR-96 1PMI . COMPND 2 MOLECULE: PHOSPHOMANNOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR A.CLEASBY,T.SKARZYNSKI,A.WONACOTT,G.J.DAVIES,R.E.HUBBARD, . 440 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 68.2 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 . 115 26.1 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 . 0 0.0 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 . 31 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 0 4 0 1 3 1 0 0 0 0 0 1 1 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 . 4 3 3 7 4 2 0 1 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 0 2 0 0 1 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 2 A S 0 0 125 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 144.6 32.4 -2.2 77.7 2 3 A S - 0 0 26 3,-0.4 60,-0.1 1,-0.1 61,-0.0 -0.776 360.0-161.9-101.3 150.8 33.1 1.5 77.3 3 4 A E S S+ 0 0 59 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 0.239 92.6 58.6-106.7 0.5 30.6 4.2 77.4 4 5 A K S S+ 0 0 83 1,-0.3 409,-3.3 408,-0.1 2,-0.3 0.689 118.3 21.9 -99.8 -36.5 33.0 6.6 75.6 5 6 A L E S+A 412 0A 1 407,-0.2 -3,-0.4 389,-0.0 -1,-0.3 -0.926 82.4 151.7-139.6 113.6 33.5 4.6 72.5 6 7 A F E -A 411 0A 2 405,-1.7 405,-2.9 -2,-0.3 2,-0.2 -0.998 41.4-109.2-153.6 149.5 30.9 2.0 71.6 7 8 A R E -A 410 0A 40 -2,-0.3 54,-0.9 403,-0.2 55,-0.6 -0.479 27.0-158.4 -79.2 140.3 29.4 0.3 68.6 8 9 A I E -AB 409 60A 0 401,-2.5 2,-0.6 -2,-0.2 401,-0.5 -0.955 11.9-145.2-124.2 138.9 25.9 1.0 67.3 9 10 A Q E - B 0 59A 30 50,-2.6 50,-2.9 -2,-0.4 2,-0.4 -0.931 30.2-152.7 -99.6 118.0 23.6 -1.2 65.1 10 11 A C E - B 0 58A 12 -2,-0.6 48,-0.2 48,-0.2 40,-0.1 -0.826 5.8-124.7-105.9 145.8 21.7 1.2 62.9 11 12 A G - 0 0 19 46,-0.6 38,-2.8 -2,-0.4 2,-0.3 -0.312 24.0-153.6 -82.9 166.9 18.3 0.9 61.2 12 13 A Y E -I 48 0B 74 36,-0.2 2,-0.3 -2,-0.1 36,-0.2 -0.860 10.1-128.9-138.6 164.2 17.6 1.3 57.6 13 14 A Q E -I 47 0B 48 34,-2.3 33,-2.1 -2,-0.3 34,-1.4 -0.902 5.9-151.7-116.3 144.5 14.8 2.2 55.1 14 15 A N + 0 0 59 -2,-0.3 31,-0.1 31,-0.2 -2,-0.0 -0.250 30.2 169.2-113.6 47.5 13.6 0.2 52.1 15 16 A Y > - 0 0 85 1,-0.1 3,-2.3 28,-0.1 -2,-0.1 -0.206 46.2-114.1 -56.0 144.8 12.4 3.1 49.9 16 17 A D T 3 S+ 0 0 123 1,-0.3 -1,-0.1 88,-0.0 29,-0.1 0.613 111.9 62.1 -65.6 -16.3 11.6 2.0 46.3 17 18 A W T 3 S+ 0 0 38 87,-0.1 87,-2.9 27,-0.1 88,-2.0 0.462 83.5 110.0 -84.3 -4.2 14.4 4.1 44.8 18 19 A G B < S-J 103 0B 0 -3,-2.3 28,-0.2 85,-0.2 85,-0.2 -0.200 82.4 -92.3 -69.5 159.4 17.1 2.2 46.7 19 20 A K E -P 45 0C 40 83,-1.3 26,-2.9 26,-0.7 2,-0.3 -0.416 54.1-104.2 -68.1 147.8 19.7 -0.2 45.2 20 21 A I E > -P 44 0C 68 24,-0.3 3,-1.7 3,-0.1 4,-0.2 -0.636 61.3 -50.5 -87.4 135.5 18.2 -3.7 45.3 21 22 A G G > S- 0 0 0 22,-3.7 3,-2.1 19,-0.5 6,-0.4 0.057 119.7 -3.8 46.6-138.4 19.5 -6.2 47.8 22 23 A S G 3 S+ 0 0 55 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.503 119.0 76.2 -67.5 0.5 23.2 -6.8 48.2 23 24 A S G < S+ 0 0 67 -3,-1.7 2,-0.4 18,-0.1 -1,-0.3 0.636 83.5 88.0 -80.2 -15.1 24.1 -4.4 45.3 24 25 A S S <> S- 0 0 0 -3,-2.1 4,-2.3 -4,-0.2 5,-0.2 -0.753 75.1-144.7 -82.6 130.7 23.3 -1.7 47.8 25 26 A A H > S+ 0 0 3 -2,-0.4 4,-3.4 1,-0.2 5,-0.2 0.855 104.7 59.1 -60.8 -35.8 26.0 -0.4 50.2 26 27 A V H > S+ 0 0 0 19,-0.4 4,-3.1 1,-0.2 5,-0.2 0.955 107.9 44.7 -54.2 -52.0 23.3 -0.0 52.8 27 28 A A H > S+ 0 0 0 -6,-0.4 4,-2.3 18,-0.3 -2,-0.2 0.898 114.0 49.6 -56.2 -49.4 22.7 -3.8 52.5 28 29 A Q H X S+ 0 0 98 -4,-2.3 4,-2.5 -7,-0.2 -2,-0.2 0.926 114.6 44.3 -54.5 -50.3 26.4 -4.6 52.6 29 30 A F H X S+ 0 0 4 -4,-3.4 4,-2.4 2,-0.2 -2,-0.2 0.926 113.9 48.9 -62.6 -50.3 27.0 -2.4 55.7 30 31 A V H X S+ 0 0 2 -4,-3.1 4,-1.9 -5,-0.2 7,-0.2 0.897 115.1 45.6 -54.2 -49.2 23.9 -3.7 57.5 31 32 A H H < S+ 0 0 76 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.899 112.5 48.0 -62.1 -50.4 24.9 -7.3 56.8 32 33 A N H < S+ 0 0 55 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.895 113.9 48.5 -63.4 -40.2 28.5 -6.9 57.7 33 34 A S H < S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.808 134.4 11.7 -68.9 -35.3 27.6 -5.2 61.0 34 35 A D >< + 0 0 48 -4,-1.9 3,-3.0 -5,-0.2 -1,-0.3 -0.599 61.8 179.7-148.8 87.8 25.0 -7.8 61.8 35 36 A P T 3 S+ 0 0 81 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.605 77.8 83.3 -68.4 -7.3 25.2 -11.0 59.6 36 37 A S T 3 S+ 0 0 95 -5,-0.1 2,-0.6 2,-0.1 -5,-0.1 0.840 78.1 81.3 -58.7 -35.5 22.4 -12.1 61.8 37 38 A I S < S- 0 0 37 -3,-3.0 2,-0.5 -7,-0.2 -3,-0.1 -0.724 77.4-147.5 -81.0 116.6 20.3 -10.0 59.3 38 39 A T - 0 0 128 -2,-0.6 2,-0.3 1,-0.0 -2,-0.1 -0.748 17.2-130.2 -92.5 122.4 19.6 -11.9 56.1 39 40 A I - 0 0 20 -2,-0.5 2,-1.0 -4,-0.1 -17,-0.1 -0.530 11.2-132.7 -76.6 130.9 19.4 -9.5 53.1 40 41 A D > - 0 0 65 -2,-0.3 3,-2.3 1,-0.1 -19,-0.5 -0.822 12.0-156.5 -85.5 100.5 16.4 -9.8 50.9 41 42 A E T 3 S+ 0 0 109 -2,-1.0 -1,-0.1 1,-0.3 -18,-0.1 0.568 89.3 57.9 -57.2 -8.7 17.9 -9.9 47.4 42 43 A T T 3 S+ 0 0 116 -22,-0.1 -1,-0.3 2,-0.1 -22,-0.0 0.571 93.9 74.3 -93.4 -22.2 14.5 -8.7 46.2 43 44 A K S < S- 0 0 66 -3,-2.3 -22,-3.7 -23,-0.0 2,-0.3 -0.701 79.0-110.9-104.3 152.8 14.1 -5.5 48.1 44 45 A P E -P 20 0C 24 0, 0.0 2,-0.6 0, 0.0 -24,-0.3 -0.577 17.9-158.9 -75.5 135.6 15.6 -2.0 47.9 45 46 A Y E +P 19 0C 4 -26,-2.9 -26,-0.7 -2,-0.3 -19,-0.4 -0.946 24.9 164.3-115.5 100.3 17.9 -0.9 50.7 46 47 A A + 0 0 0 -33,-2.1 56,-2.6 -2,-0.6 2,-0.4 0.876 50.6 16.0 -88.1 -50.9 17.8 2.9 50.4 47 48 A E E -IK 13 101B 15 -34,-1.4 -34,-2.3 54,-0.2 2,-0.5 -0.993 46.1-156.6-137.3 141.9 19.1 4.5 53.6 48 49 A L E -IK 12 100B 4 52,-2.5 52,-1.9 -2,-0.4 2,-0.5 -0.977 25.2-150.2-109.9 118.3 21.1 3.6 56.7 49 50 A W E - K 0 99B 22 -38,-2.8 2,-0.5 -2,-0.5 -38,-0.3 -0.853 14.0-175.3 -98.6 131.1 20.3 6.1 59.5 50 51 A M E + K 0 98B 0 48,-3.3 48,-1.5 -2,-0.5 2,-0.3 -0.972 48.1 32.4-125.7 111.5 23.0 6.9 62.2 51 52 A G S S- 0 0 3 -2,-0.5 7,-0.6 46,-0.1 18,-0.3 -0.996 100.3 -40.4 153.9-145.9 22.0 9.2 65.1 52 53 A T + 0 0 8 44,-0.4 45,-0.1 -2,-0.3 -1,-0.0 -0.008 68.4 144.6-118.3 30.0 19.2 10.1 67.5 53 54 A H > - 0 0 67 3,-0.4 3,-1.0 1,-0.1 16,-0.1 -0.606 47.1-140.8 -72.2 127.7 16.2 10.2 65.1 54 55 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 15,-0.0 0.779 97.2 55.4 -61.1 -33.3 13.1 8.9 66.9 55 56 A S T 3 S+ 0 0 70 1,-0.2 -2,-0.0 2,-0.0 -3,-0.0 0.744 117.5 28.7 -71.5 -33.4 11.9 7.0 63.9 56 57 A V S < S- 0 0 15 -3,-1.0 -3,-0.4 -45,-0.1 -1,-0.2 -0.765 82.3-157.0-138.2 93.6 15.0 4.9 63.2 57 58 A P - 0 0 53 0, 0.0 -46,-0.6 0, 0.0 2,-0.5 -0.361 12.0-144.2 -77.5 145.9 17.0 4.1 66.3 58 59 A S E -B 10 0A 1 -7,-0.6 10,-2.5 -48,-0.2 2,-0.5 -0.918 25.8-146.5-103.4 120.6 20.7 3.2 66.6 59 60 A K E -BC 9 67A 96 -50,-2.9 -50,-2.6 -2,-0.5 2,-1.3 -0.897 12.4-130.0-105.9 131.4 21.1 0.6 69.4 60 61 A A E > -BC 8 66A 0 6,-4.4 5,-1.9 -2,-0.5 6,-0.7 -0.591 23.4-168.3 -74.5 92.5 24.2 0.3 71.6 61 62 A I T 5S+ 0 0 56 -2,-1.3 3,-0.4 -54,-0.9 -1,-0.2 0.782 85.9 38.9 -59.0 -36.0 24.8 -3.4 71.2 62 63 A D T 5S+ 0 0 81 -55,-0.6 2,-0.3 1,-0.2 -1,-0.3 0.618 107.5 65.5 -91.1 -15.8 27.3 -3.5 74.1 63 64 A L T > 5S- 0 0 23 -3,-0.4 3,-1.5 -56,-0.3 -3,-0.2 -0.354 133.1 -78.5-103.8 48.3 25.3 -1.1 76.3 64 65 A N T 3 5S- 0 0 143 -3,-0.4 -3,-0.2 -2,-0.3 -2,-0.1 0.789 77.1 -70.7 71.3 25.1 22.4 -3.4 76.7 65 66 A N T 3 -C 59 0A 24 -8,-0.3 4,-2.7 1,-0.1 -8,-0.2 -0.616 14.5-132.3 -79.8 137.9 19.1 3.5 72.0 68 69 A L H > S+ 0 0 0 -10,-2.5 4,-2.4 -2,-0.3 5,-0.2 0.873 111.7 53.7 -58.0 -40.9 21.6 6.4 71.4 69 70 A R H > S+ 0 0 53 -11,-0.3 4,-1.9 -18,-0.3 -1,-0.2 0.931 110.5 48.5 -59.5 -42.9 18.7 8.9 71.8 70 71 A D H > S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.935 111.5 47.4 -62.9 -51.5 18.0 7.2 75.1 71 72 A L H X S+ 0 0 6 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.810 114.4 47.3 -54.9 -43.5 21.7 7.3 76.3 72 73 A V H < S+ 0 0 0 -4,-2.4 -1,-0.2 2,-0.2 7,-0.2 0.863 112.4 48.5 -62.9 -47.0 22.0 10.9 75.3 73 74 A T H < S+ 0 0 61 -4,-1.9 -2,-0.2 19,-0.3 -1,-0.2 0.909 112.7 49.4 -60.4 -46.6 18.8 11.9 77.0 74 75 A A H < S+ 0 0 73 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.767 130.7 17.0 -63.3 -35.5 19.9 10.0 80.1 75 76 A K >X + 0 0 89 -4,-1.6 4,-2.2 -5,-0.2 3,-0.7 -0.385 68.0 159.7-143.4 67.6 23.3 11.8 80.1 76 77 A P H 3>>S+ 0 0 28 0, 0.0 4,-3.0 0, 0.0 5,-2.3 0.759 75.2 52.8 -59.0 -41.2 23.5 14.9 77.9 77 78 A Q H 345S+ 0 0 154 3,-0.2 5,-0.3 2,-0.2 6,-0.1 0.791 116.3 42.3 -68.1 -28.3 26.5 16.7 79.4 78 79 A E H <45S+ 0 0 65 -3,-0.7 -1,-0.2 3,-0.1 -6,-0.1 0.819 126.5 31.5 -83.0 -40.5 28.5 13.5 78.9 79 80 A Y H <5S+ 0 0 0 -4,-2.2 -2,-0.2 -7,-0.2 -7,-0.1 0.801 138.8 16.8 -91.8 -33.6 27.2 12.7 75.5 80 81 A L T <5S- 0 0 1 -4,-3.0 4,-0.2 -5,-0.2 -3,-0.2 0.772 96.8-138.0-104.1 -49.2 26.5 16.1 74.0 81 82 A G >>< - 0 0 12 -5,-2.3 4,-2.2 1,-0.1 3,-0.9 0.231 27.4 -84.4 91.4 145.3 28.5 18.4 76.3 82 83 A E H 3> S+ 0 0 136 -5,-0.3 4,-2.8 1,-0.3 5,-0.2 0.823 124.2 54.5 -38.7 -58.3 27.4 21.8 77.7 83 84 A S H 3> S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.822 111.6 46.7 -58.8 -32.5 28.4 23.9 74.8 84 85 A I H <> S+ 0 0 2 -3,-0.9 4,-2.7 -4,-0.2 5,-0.4 0.899 109.9 50.6 -80.2 -45.8 26.3 21.7 72.5 85 86 A I H X S+ 0 0 39 -4,-2.2 4,-1.6 1,-0.2 5,-0.3 0.940 116.9 43.8 -50.1 -50.8 23.2 21.6 74.7 86 87 A T H < S+ 0 0 120 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.896 113.8 48.0 -61.2 -52.0 23.4 25.4 74.9 87 88 A K H < S+ 0 0 98 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.918 125.0 26.5 -62.0 -45.4 24.1 26.1 71.3 88 89 A F H < S- 0 0 63 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.540 99.1-128.1 -99.0 -9.8 21.4 23.9 69.7 89 90 A G < + 0 0 66 -4,-1.6 2,-0.4 -5,-0.4 -3,-0.2 0.617 68.1 110.5 73.2 16.1 18.9 23.9 72.6 90 91 A S + 0 0 29 -6,-0.4 -1,-0.2 -5,-0.3 -2,-0.2 -0.943 38.2 177.9-123.4 155.3 18.4 20.2 72.9 91 92 A S S S+ 0 0 49 -2,-0.4 -16,-0.1 -3,-0.1 -1,-0.1 0.104 83.7 60.4-126.5 2.4 19.4 17.6 75.5 92 93 A K S S+ 0 0 113 1,-0.2 -19,-0.3 -7,-0.1 2,-0.3 0.638 106.3 13.6-106.0 -24.7 17.8 14.7 73.8 93 94 A E S S- 0 0 56 -21,-0.1 -1,-0.2 -20,-0.1 -3,-0.1 -0.919 72.2 -85.8-154.4 170.9 19.6 14.5 70.5 94 95 A L - 0 0 8 -2,-0.3 -42,-0.1 2,-0.2 -3,-0.1 -0.584 33.4-130.2 -73.3 149.9 22.3 15.3 67.9 95 96 A P S S+ 0 0 18 0, 0.0 202,-0.6 0, 0.0 2,-0.3 0.407 88.8 50.3 -79.1 -3.0 22.0 18.5 65.8 96 97 A F E S- L 0 296B 7 200,-0.2 2,-0.4 340,-0.0 -44,-0.4 -0.938 70.5-138.7-131.6 162.3 22.7 16.5 62.6 97 98 A L E - L 0 295B 14 198,-2.8 198,-2.2 -2,-0.3 2,-0.4 -0.935 20.3-158.9-116.8 133.6 21.4 13.3 60.9 98 99 A F E +KL 50 294B 0 -48,-1.5 -48,-3.3 -2,-0.4 2,-0.3 -0.987 19.8 165.3-124.5 126.1 24.1 11.0 59.3 99 100 A K E -KL 49 293B 15 194,-2.9 194,-2.8 -2,-0.4 2,-0.5 -0.930 37.6-135.0-135.4 164.6 23.2 8.5 56.7 100 101 A V E -KL 48 292B 0 -52,-1.9 -52,-2.5 -2,-0.3 2,-0.4 -0.984 28.7-161.6-114.6 130.4 24.3 6.2 54.0 101 102 A L E -KL 47 291B 2 190,-3.2 190,-2.5 -2,-0.5 2,-0.5 -0.944 12.0-167.4-113.7 140.6 22.2 6.5 50.7 102 103 A S E - L 0 290B 0 -56,-2.6 -83,-1.3 -2,-0.4 2,-0.6 -0.930 18.5-163.5-128.4 94.4 22.2 3.8 48.0 103 104 A I E +JL 18 289B 0 186,-3.1 186,-2.0 -2,-0.5 -85,-0.2 -0.827 30.2 156.0 -97.0 117.1 20.4 5.4 45.0 104 105 A E S S+ 0 0 88 -87,-2.9 2,-0.3 -2,-0.6 -86,-0.2 0.828 73.4 35.4 -96.1 -48.2 19.1 3.4 42.1 105 106 A K S S- 0 0 88 -88,-2.0 -1,-0.2 1,-0.1 181,-0.1 -0.868 96.5 -91.8-115.0 147.1 16.5 5.9 40.8 106 107 A V - 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