==== 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 ISOMERASE 01-APR-06 2GKE . COMPND 2 MOLECULE: DIAMINOPIMELATE EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR B.PILLAI,M.M.CHERNEY,C.M.DIAPER,A.SUTHERLAND,J.S.BLANCHARD, . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 27.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 . 29 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 1 2 0 5 2 3 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 A M 0 0 31 0, 0.0 271,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 117.7 41.9 9.0 -3.2 2 2 A Q E +A 271 0A 137 269,-0.2 15,-0.3 15,-0.2 2,-0.3 -0.693 360.0 164.9 -80.5 141.2 42.3 6.9 0.0 3 3 A F E -A 270 0A 15 267,-2.5 267,-3.2 -2,-0.3 2,-0.4 -0.958 28.5-135.4-146.9 168.4 39.1 6.8 2.2 4 4 A S E -AB 269 15A 5 11,-2.5 11,-3.0 -2,-0.3 2,-0.5 -0.958 13.6-137.0-126.3 148.5 37.6 4.9 5.1 5 5 A K E +AB 268 14A 17 263,-3.0 262,-3.0 -2,-0.4 263,-1.3 -0.924 35.0 160.0-103.7 133.1 34.1 3.6 5.5 6 6 A M E -AB 266 13A 0 7,-2.3 7,-3.0 -2,-0.5 2,-0.3 -0.867 19.7-156.8-142.0 164.5 32.5 4.1 8.9 7 7 A H E -AB 265 12A 46 258,-2.1 258,-2.5 -2,-0.3 2,-0.4 -0.993 12.9-157.2-147.2 157.3 29.1 4.3 10.6 8 8 A G E > S- B 0 11A 0 3,-2.3 3,-1.9 -2,-0.3 256,-0.1 -0.967 90.0 -25.1-128.3 108.7 27.3 5.7 13.6 9 9 A L T 3 S- 0 0 7 -2,-0.4 235,-0.2 1,-0.3 3,-0.1 0.790 126.5 -52.0 55.7 32.4 24.1 3.7 14.4 10 10 A G T 3 S+ 0 0 30 1,-0.3 2,-0.8 233,-0.1 205,-0.4 0.465 107.5 125.8 84.8 -1.1 23.9 2.6 10.8 11 11 A N E < -B 8 0A 1 -3,-1.9 -3,-2.3 204,-0.2 -1,-0.3 -0.868 57.0-147.9 -84.0 109.9 24.2 6.1 9.4 12 12 A D E -B 7 0A 16 -2,-0.8 31,-2.3 -5,-0.2 32,-1.6 -0.705 19.4-171.9-104.5 146.1 27.1 5.4 7.1 13 13 A F E -Bc 6 44A 0 -7,-3.0 -7,-2.3 -2,-0.3 2,-0.5 -0.936 27.6-142.2-134.0 143.8 29.9 7.5 5.9 14 14 A V E -Bc 5 45A 0 30,-1.8 32,-3.3 -2,-0.3 2,-0.4 -0.937 31.6-163.5 -93.5 128.7 32.9 7.8 3.6 15 15 A V E -Bc 4 46A 0 -11,-3.0 -11,-2.5 -2,-0.5 2,-0.4 -0.973 3.7-165.0-118.7 130.6 35.6 9.6 5.6 16 16 A V E - c 0 47A 0 30,-2.5 32,-2.7 -2,-0.4 2,-0.9 -0.961 22.2-133.1-124.2 130.1 38.6 11.2 3.8 17 17 A D E + c 0 48A 23 -2,-0.4 4,-0.2 -15,-0.3 -15,-0.2 -0.696 29.4 171.0 -74.8 104.2 41.9 12.5 5.1 18 18 A G + 0 0 16 30,-2.5 32,-0.4 -2,-0.9 5,-0.2 0.148 66.8 73.0-101.2 14.8 42.2 15.8 3.4 19 19 A V S S+ 0 0 67 30,-0.2 -1,-0.1 3,-0.1 30,-0.1 0.850 110.1 25.6 -89.2 -48.6 45.2 16.8 5.5 20 20 A T S S+ 0 0 112 2,-0.0 2,-0.3 29,-0.0 -2,-0.1 0.427 126.9 52.4 -98.4 -0.8 47.7 14.4 3.7 21 21 A Q S S- 0 0 45 -4,-0.2 2,-0.9 -19,-0.0 -5,-0.0 -0.953 82.6-122.8-128.1 153.4 45.7 14.4 0.5 22 22 A N - 0 0 142 -2,-0.3 2,-0.5 2,-0.0 -3,-0.1 -0.846 40.6-170.5 -97.1 103.0 44.4 17.2 -1.7 23 23 A V + 0 0 13 -2,-0.9 2,-0.3 -5,-0.2 -5,-0.1 -0.865 21.1 134.1-111.0 119.0 40.7 16.4 -1.8 24 24 A F + 0 0 143 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.980 14.5 157.2-155.7 157.2 38.1 18.0 -4.1 25 25 A F - 0 0 40 -2,-0.3 -2,-0.0 249,-0.0 249,-0.0 -0.987 36.5 -97.0-170.5 165.2 35.3 16.9 -6.3 26 26 A T > - 0 0 66 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.524 36.9-111.3 -87.8 160.7 32.1 18.0 -8.0 27 27 A P H > S+ 0 0 61 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.862 119.7 59.9 -57.4 -33.1 28.6 17.3 -6.7 28 28 A E H > S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 104.4 48.9 -61.7 -43.0 28.2 14.9 -9.6 29 29 A T H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.931 109.8 51.9 -61.5 -44.9 31.1 12.9 -8.3 30 30 A I H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.952 110.7 47.9 -56.3 -45.0 29.6 12.8 -4.8 31 31 A R H X S+ 0 0 110 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.896 111.5 50.1 -66.0 -40.3 26.3 11.5 -6.2 32 32 A R H >< S+ 0 0 111 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.927 113.5 45.5 -61.2 -47.8 28.0 8.8 -8.3 33 33 A L H 3< S+ 0 0 2 -4,-2.6 8,-2.5 1,-0.2 7,-1.9 0.794 106.3 59.9 -69.1 -27.7 30.0 7.7 -5.2 34 34 A A H 3< S+ 0 0 11 -4,-2.1 8,-1.3 31,-0.2 -1,-0.2 0.727 77.9 108.1 -71.2 -24.6 26.9 7.7 -2.9 35 35 A N S- 0 0 71 1,-0.1 3,-2.6 5,-0.1 -1,-0.2 -0.879 83.8-152.9 -93.0 107.8 42.5 28.6 12.9 54 54 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.650 89.1 69.8 -66.2 -11.6 45.8 27.0 13.8 55 55 A E T 3 S+ 0 0 166 -3,-0.0 2,-0.2 2,-0.0 41,-0.1 0.633 92.0 74.2 -72.0 -16.9 44.9 26.8 17.4 56 56 A L S < S- 0 0 25 -3,-2.6 41,-0.2 1,-0.1 3,-0.1 -0.493 81.9-131.4 -90.0 168.3 42.3 24.1 16.5 57 57 A D S S- 0 0 28 39,-1.8 2,-0.3 1,-0.3 40,-0.2 0.906 74.8 -11.2 -84.6 -45.2 43.1 20.5 15.5 58 58 A F E - e 0 97A 14 38,-1.7 40,-2.0 -8,-0.2 2,-0.3 -0.963 53.8-122.6-148.5 163.6 41.0 20.1 12.3 59 59 A H E -De 49 98A 14 -10,-2.5 -10,-2.9 -2,-0.3 2,-0.5 -0.884 29.4-148.2-106.2 146.1 38.4 21.5 10.0 60 60 A Y E -D 48 0A 2 38,-2.4 40,-0.3 -2,-0.3 2,-0.3 -0.974 13.9-175.6-124.9 120.0 35.4 19.3 9.3 61 61 A R E -D 47 0A 59 -14,-2.1 -14,-2.1 -2,-0.5 2,-0.4 -0.891 6.3-161.1-117.1 148.5 33.3 19.3 6.1 62 62 A I E -DF 46 70A 0 8,-1.0 8,-2.5 -2,-0.3 2,-0.4 -0.994 6.0-173.5-133.1 133.6 30.2 17.3 5.3 63 63 A F E -DF 45 69A 8 -18,-2.6 -18,-2.6 -2,-0.4 6,-0.2 -0.989 17.3-137.2-128.0 134.9 28.5 16.3 2.1 64 64 A N E > -D 44 0A 7 4,-2.7 3,-2.5 -2,-0.4 -20,-0.2 -0.433 32.6-103.5 -80.2 163.3 25.1 14.6 1.6 65 65 A A T 3 S+ 0 0 25 -22,-1.7 -31,-0.2 1,-0.3 146,-0.1 0.738 120.9 62.3 -56.5 -26.6 24.4 11.8 -0.8 66 66 A D T 3 S- 0 0 47 144,-1.1 -1,-0.3 -23,-0.2 -35,-0.2 0.389 122.6-104.2 -81.7 3.6 22.7 14.3 -3.1 67 67 A G S < S+ 0 0 9 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.379 75.2 138.8 90.8 -1.9 26.0 16.2 -3.5 68 68 A S - 0 0 27 142,-0.1 -4,-2.7 -41,-0.1 2,-0.5 -0.548 46.9-137.5 -80.0 140.3 25.1 19.1 -1.1 69 69 A E E +F 63 0A 64 -6,-0.2 -6,-0.2 -2,-0.2 2,-0.2 -0.853 29.6 174.0 -96.6 130.4 27.7 20.5 1.3 70 70 A V E -F 62 0A 12 -8,-2.5 -8,-1.0 -2,-0.5 30,-0.2 -0.724 34.8-122.0-131.5 179.6 26.4 21.3 4.8 71 71 A S S S+ 0 0 8 85,-0.4 30,-0.4 -2,-0.2 2,-0.3 0.350 80.2 39.9-114.7 6.7 27.8 22.5 8.1 72 72 A Q + 0 0 7 84,-0.1 2,-0.2 -10,-0.1 -1,-0.1 -0.994 39.7 160.8-154.0 147.9 26.9 19.8 10.7 73 73 A C > - 0 0 11 -2,-0.3 4,-1.5 82,-0.1 5,-0.1 -0.669 13.1-168.8-165.5 113.4 26.6 16.1 11.2 74 74 A G H > S+ 0 0 0 2,-0.2 4,-1.7 -2,-0.2 5,-0.2 0.919 90.5 45.6 -70.5 -49.7 26.6 14.5 14.7 75 75 A N H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 115.5 51.7 -59.4 -39.1 26.9 10.8 13.9 76 76 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.851 103.2 57.4 -63.7 -36.7 29.7 11.9 11.5 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.871 106.9 48.6 -63.2 -38.4 31.4 13.9 14.2 78 78 A R H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.936 113.4 46.9 -67.7 -43.8 31.7 10.8 16.3 79 79 A C H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.881 108.5 56.7 -63.0 -36.8 33.1 8.9 13.3 80 80 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.922 107.5 48.2 -58.5 -47.1 35.5 11.8 12.6 81 81 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.925 113.2 46.4 -61.1 -45.6 36.9 11.5 16.1 82 82 A R H X S+ 0 0 41 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.901 113.3 50.9 -63.4 -41.5 37.3 7.7 15.8 83 83 A F H X S+ 0 0 7 -4,-2.8 4,-2.5 2,-0.2 6,-0.3 0.936 109.6 46.7 -62.7 -51.2 38.9 8.1 12.3 84 84 A V H <>S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 6,-1.5 0.864 117.5 45.8 -66.0 -30.8 41.5 10.7 13.3 85 85 A T H ><5S+ 0 0 42 -4,-1.8 3,-1.1 -5,-0.3 -2,-0.2 0.953 115.1 44.3 -69.1 -53.1 42.4 8.6 16.4 86 86 A L H 3<5S+ 0 0 88 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.873 117.2 45.2 -61.8 -40.7 42.6 5.3 14.6 87 87 A K T 3<5S- 0 0 86 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.404 112.9-116.5 -89.4 1.4 44.5 6.6 11.6 88 88 A G T < 5S+ 0 0 62 -3,-1.1 -3,-0.2 2,-0.3 -4,-0.1 0.734 73.7 131.9 74.1 24.4 46.9 8.6 13.8 89 89 A L S - 0 0 71 4,-2.5 3,-2.1 -2,-0.8 -1,-0.0 -0.394 21.9-115.5 -81.8 157.4 35.8 8.4 26.1 110 110 A D T 3 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.754 118.1 58.6 -64.2 -21.9 37.5 5.4 27.8 111 111 A D T 3 S- 0 0 95 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.386 120.5-113.1 -88.0 3.7 34.5 3.2 26.9 112 112 A N S < S+ 0 0 108 -3,-2.1 152,-0.2 1,-0.3 -2,-0.1 0.197 79.0 124.1 83.8 -10.6 35.3 4.1 23.3 113 113 A Q - 0 0 71 150,-0.1 -4,-2.5 -5,-0.1 2,-0.5 -0.262 59.7-124.8 -66.1 162.3 32.1 6.1 22.8 114 114 A I E -HI 108 262A 0 148,-2.5 148,-1.9 -6,-0.2 2,-0.5 -0.977 13.8-157.1-116.0 130.9 32.5 9.7 21.6 115 115 A R E -HI 107 261A 63 -8,-2.4 -8,-3.0 -2,-0.5 2,-0.5 -0.938 16.6-160.9-104.3 122.2 31.0 12.7 23.5 116 116 A V E -HI 106 260A 0 144,-3.1 144,-2.0 -2,-0.5 2,-0.9 -0.933 19.5-147.3-111.5 126.8 30.6 15.7 21.2 117 117 A N E -HI 105 259A 38 -12,-3.0 -12,-1.4 -2,-0.5 142,-0.2 -0.823 21.1-175.9 -81.7 103.9 30.2 19.3 22.2 118 118 A M - 0 0 8 140,-2.7 -1,-0.1 -2,-0.9 141,-0.1 0.390 37.3-116.5 -83.9 -0.2 27.9 20.3 19.4 119 119 A G - 0 0 19 139,-0.4 139,-2.2 -14,-0.1 -1,-0.3 -0.266 49.8 -42.5 80.9 179.3 27.8 23.9 20.4 120 120 A E - 0 0 85 137,-0.3 134,-0.1 -3,-0.1 131,-0.0 -0.651 64.1-109.0 -83.3 134.3 24.7 25.9 21.5 121 121 A P - 0 0 1 0, 0.0 2,-0.5 0, 0.0 134,-0.2 -0.338 30.0-132.1 -58.5 147.9 21.5 25.4 19.6 122 122 A I B +J 154 0A 57 32,-2.9 32,-2.4 1,-0.1 34,-0.1 -0.923 29.1 170.8-109.8 124.9 20.4 28.4 17.5 123 123 A W + 0 0 31 -2,-0.5 13,-0.2 30,-0.2 -1,-0.1 0.623 41.1 109.5-107.5 -22.3 16.8 29.6 17.8 124 124 A E >> - 0 0 118 1,-0.1 3,-1.5 11,-0.1 4,-0.8 -0.477 65.5-139.3 -65.4 116.6 16.8 32.9 15.8 125 125 A P G >4>S+ 0 0 10 0, 0.0 3,-1.7 0, 0.0 5,-1.5 0.886 97.7 53.8 -46.9 -48.5 14.7 32.2 12.7 126 126 A A G 345S+ 0 0 85 1,-0.3 -2,-0.1 3,-0.2 5,-0.1 0.782 109.3 50.1 -59.8 -26.8 16.9 34.1 10.2 127 127 A K G <45S+ 0 0 140 -3,-1.5 -1,-0.3 1,-0.2 -3,-0.1 0.629 110.5 48.4 -86.8 -12.2 20.0 32.2 11.4 128 128 A I T <<5S- 0 0 0 -3,-1.7 -1,-0.2 -4,-0.8 -2,-0.2 0.923 118.0-115.4 -64.2 -50.5 18.4 28.7 11.0 129 129 A P T 5 + 0 0 23 0, 0.0 58,-0.4 0, 0.0 2,-0.3 0.589 69.1 135.0 -87.9 149.6 17.5 29.7 8.2 130 130 A F < - 0 0 6 -5,-1.5 2,-0.7 55,-0.2 55,-0.2 -0.965 52.7-120.0-157.2 134.6 13.8 29.7 8.5 131 131 A T + 0 0 79 53,-2.9 2,-0.3 -2,-0.3 3,-0.1 -0.728 52.4 138.0 -85.2 115.2 11.2 32.3 7.5 132 132 A A - 0 0 27 -2,-0.7 -6,-0.1 1,-0.1 3,-0.1 -0.959 53.6-135.7-158.1 140.3 9.1 33.5 10.5 133 133 A N S S- 0 0 153 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.879 90.9 -1.0 -59.4 -43.3 7.8 36.9 11.7 134 134 A K S S- 0 0 140 -3,-0.1 -1,-0.2 -9,-0.0 2,-0.1 -0.978 86.1 -86.4-146.4 154.4 8.9 36.2 15.3 135 135 A F + 0 0 81 -2,-0.3 2,-0.3 -3,-0.1 -11,-0.1 -0.438 52.4 171.1 -58.0 134.3 10.6 33.5 17.4 136 136 A E - 0 0 109 -13,-0.2 16,-0.4 -2,-0.1 3,-0.1 -0.963 44.3-128.7-142.3 160.6 8.0 30.9 18.6 137 137 A K S S+ 0 0 110 -2,-0.3 2,-0.3 1,-0.2 94,-0.1 0.621 101.5 29.0 -81.5 -14.8 8.2 27.6 20.4 138 138 A N S S- 0 0 80 13,-0.1 2,-0.3 11,-0.0 13,-0.2 -0.984 70.7-165.7-147.3 135.3 5.9 26.1 17.7 139 139 A Y E -R 150 0B 8 11,-2.8 11,-2.2 -2,-0.3 2,-0.6 -0.923 21.0-123.3-124.3 148.1 5.4 27.1 14.1 140 140 A I E -R 149 0B 109 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.815 24.9-175.1 -94.3 120.2 2.7 26.2 11.6 141 141 A L E -R 148 0B 0 7,-3.0 7,-2.9 -2,-0.6 2,-0.3 -0.942 12.3-151.2-119.0 112.3 3.8 24.5 8.4 142 142 A R E +R 147 0B 193 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.623 17.8 178.1 -80.8 131.7 1.1 23.8 5.7 143 143 A T - 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