==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-13 3ZMH . COMPND 2 MOLECULE: RHOMBOID PROTEASE GLPG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.R.VINOTHKUMAR,O.A.PIERRAT,J.M.LARGE,M.FREEMAN . 180 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 76.7 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 . 0 0.0 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 . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 1 0 0 0 1 0 0 0 0 0 0 1 0 1 1 0 1 0 1 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 91 A E 0 0 158 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.3 -10.0 -5.5 -27.4 2 92 A R - 0 0 246 71,-0.1 6,-0.0 0, 0.0 2,-0.0 -0.982 360.0-108.8-154.5 139.9 -12.8 -5.1 -30.0 3 93 A A - 0 0 30 -2,-0.3 70,-0.1 1,-0.1 67,-0.1 -0.323 51.3-104.5 -52.0 136.6 -14.5 -2.7 -32.4 4 94 A G > - 0 0 18 69,-0.2 4,-3.2 1,-0.1 5,-0.2 -0.012 34.8 -93.7 -64.6 172.8 -18.1 -1.8 -31.3 5 95 A P H > S+ 0 0 85 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.846 123.4 43.1 -62.5 -41.1 -21.2 -3.2 -32.9 6 96 A V H > S+ 0 0 29 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.936 116.2 48.3 -68.1 -48.8 -21.9 -0.4 -35.3 7 97 A T H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.939 118.1 42.6 -53.7 -48.9 -18.2 -0.2 -36.3 8 98 A W H X S+ 0 0 152 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.933 112.8 49.8 -65.4 -50.4 -18.2 -4.0 -36.7 9 99 A V H X S+ 0 0 88 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.892 109.8 52.6 -63.2 -36.5 -21.5 -4.4 -38.5 10 100 A M H X S+ 0 0 29 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.912 109.9 48.3 -62.2 -43.1 -20.6 -1.7 -41.0 11 101 A M H X S+ 0 0 34 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.949 112.9 47.7 -63.0 -47.5 -17.3 -3.4 -41.9 12 102 A I H X S+ 0 0 66 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.918 111.9 50.3 -57.0 -46.2 -19.0 -6.8 -42.3 13 103 A A H X S+ 0 0 30 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.920 109.8 49.8 -61.7 -44.7 -21.7 -5.3 -44.5 14 104 A C H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.889 112.5 48.3 -60.8 -38.7 -19.1 -3.6 -46.7 15 105 A V H X S+ 0 0 68 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.941 110.5 49.5 -69.8 -47.7 -17.2 -6.8 -47.1 16 106 A V H X S+ 0 0 84 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.920 113.9 46.7 -54.5 -44.1 -20.4 -8.9 -47.9 17 107 A V H X S+ 0 0 18 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.898 109.3 53.4 -68.5 -38.9 -21.3 -6.3 -50.5 18 108 A F H X S+ 0 0 31 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.913 110.3 48.6 -61.3 -42.6 -17.8 -6.2 -52.0 19 109 A I H >X S+ 0 0 88 -4,-2.6 4,-2.4 2,-0.2 3,-0.9 0.931 107.9 53.7 -58.4 -49.7 -18.0 -10.0 -52.3 20 110 A A H 3X S+ 0 0 31 -4,-2.5 4,-2.4 1,-0.3 5,-0.2 0.863 106.8 53.9 -53.0 -38.6 -21.4 -9.7 -54.0 21 111 A M H 3X S+ 0 0 1 -4,-2.1 4,-1.2 2,-0.2 -1,-0.3 0.771 107.7 49.0 -69.5 -28.6 -19.8 -7.3 -56.5 22 112 A Q H << S+ 0 0 114 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.923 115.0 44.1 -76.1 -43.6 -17.1 -9.8 -57.4 23 113 A I H < S+ 0 0 129 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.871 131.5 21.4 -65.4 -39.5 -19.6 -12.6 -57.9 24 114 A L H < S- 0 0 103 -4,-2.4 4,-0.4 -5,-0.2 -3,-0.2 0.486 110.8-108.5-110.7 -6.5 -22.1 -10.5 -59.9 25 115 A G X - 0 0 25 -4,-1.2 4,-1.2 -5,-0.2 -1,-0.2 0.058 34.7 -85.2 85.8 155.0 -20.0 -7.6 -61.2 26 116 A D H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.912 121.7 57.6 -60.6 -47.7 -20.3 -4.0 -60.0 27 117 A Q H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 104.5 49.7 -54.3 -46.1 -23.2 -2.9 -62.3 28 118 A E H > S+ 0 0 84 -4,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.865 112.5 46.9 -66.7 -38.7 -25.6 -5.6 -61.1 29 119 A V H >X S+ 0 0 10 -4,-1.2 4,-1.7 -3,-0.2 3,-0.6 0.888 111.0 52.8 -69.5 -37.0 -25.0 -4.7 -57.4 30 120 A M H 3X S+ 0 0 26 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.853 97.7 67.1 -63.3 -32.7 -25.4 -1.0 -58.3 31 121 A L H 3< S+ 0 0 74 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.885 113.7 30.0 -56.1 -37.1 -28.7 -1.9 -59.9 32 122 A W H << S+ 0 0 169 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.717 130.8 31.2 -91.4 -25.9 -30.0 -2.8 -56.4 33 123 A L H < S+ 0 0 34 -4,-1.7 -3,-0.2 17,-0.1 -2,-0.2 0.615 87.4 107.3-118.4 -16.5 -28.0 -0.5 -54.1 34 124 A A S < S- 0 0 0 -4,-2.2 3,-0.2 -5,-0.2 72,-0.1 -0.213 83.3 -82.8 -64.9 153.5 -27.2 2.7 -55.9 35 125 A W S S- 0 0 20 70,-0.6 -1,-0.1 72,-0.3 13,-0.1 -0.266 74.1 -71.9 -45.3 139.4 -28.9 6.1 -55.3 36 126 A P + 0 0 20 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 -0.182 55.4 179.3 -47.7 118.6 -32.3 6.1 -57.2 37 127 A F + 0 0 63 -3,-0.2 -2,-0.1 -6,-0.1 69,-0.1 0.289 66.8 42.3-109.7 5.7 -31.2 6.4 -60.9 38 128 A D S > S- 0 0 73 1,-0.0 3,-2.4 0, 0.0 4,-0.4 -0.979 83.5-121.7-148.3 143.1 -34.7 6.4 -62.2 39 129 A P G > S+ 0 0 86 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.774 112.1 65.6 -59.0 -25.6 -37.9 8.2 -60.9 40 130 A T G 3 S+ 0 0 108 1,-0.2 3,-0.2 2,-0.1 0, 0.0 0.584 103.0 49.3 -70.7 -6.5 -39.6 4.7 -60.6 41 131 A L G X S+ 0 0 24 -3,-2.4 3,-2.6 1,-0.1 -1,-0.2 0.484 76.9 102.7-106.5 -5.9 -37.0 4.0 -57.9 42 132 A K T < S+ 0 0 93 -3,-1.0 -1,-0.1 -4,-0.4 -2,-0.1 0.680 80.6 52.7 -59.6 -18.1 -37.3 7.2 -55.8 43 133 A F T 3 S+ 0 0 147 -4,-0.2 2,-1.2 -3,-0.2 -1,-0.3 0.233 76.8 100.5-103.4 13.0 -39.4 5.4 -53.2 44 134 A E X - 0 0 65 -3,-2.6 3,-1.6 1,-0.2 4,-0.2 -0.771 58.9-171.7 -94.2 89.4 -36.9 2.6 -52.6 45 135 A F T > S+ 0 0 135 -2,-1.2 3,-0.9 1,-0.3 4,-0.2 0.601 70.1 70.9 -69.4 -17.6 -35.6 4.3 -49.5 46 136 A W T >> S+ 0 0 113 1,-0.2 4,-2.8 2,-0.1 3,-2.1 0.849 87.2 71.8 -64.3 -30.2 -32.6 2.0 -48.7 47 137 A R H <> S+ 0 0 11 -3,-1.6 4,-0.7 1,-0.3 -1,-0.2 0.733 82.5 66.4 -59.2 -28.6 -31.0 3.6 -51.8 48 138 A Y H <4 S+ 0 0 56 -3,-0.9 -1,-0.3 -4,-0.2 48,-0.2 0.662 121.9 18.4 -68.1 -11.7 -30.4 7.0 -50.1 49 139 A F H X4 S+ 0 0 76 -3,-2.1 3,-2.1 -4,-0.2 -2,-0.2 0.684 107.7 74.2-122.3 -38.9 -27.9 5.1 -47.8 50 140 A T H >< S+ 0 0 24 -4,-2.8 3,-1.7 1,-0.3 4,-0.2 0.627 78.5 78.1 -67.4 -15.3 -26.8 1.8 -49.3 51 141 A H G >< S+ 0 0 2 -4,-0.7 58,-2.2 1,-0.3 3,-1.4 0.816 84.7 66.3 -57.5 -28.5 -24.6 3.5 -51.9 52 142 A A G < S+ 0 0 5 -3,-2.1 -1,-0.3 56,-0.3 -2,-0.2 0.665 91.8 63.1 -68.7 -14.8 -22.1 3.9 -49.0 53 143 A L G < S+ 0 0 36 -3,-1.7 2,-0.4 -4,-0.2 -1,-0.3 0.536 84.9 90.2 -87.6 -10.1 -21.7 0.1 -48.8 54 144 A M < - 0 0 0 -3,-1.4 2,-0.4 -4,-0.2 -40,-0.1 -0.754 50.4-176.6 -98.7 132.6 -20.2 -0.3 -52.3 55 145 A H - 0 0 0 -2,-0.4 54,-0.1 -41,-0.2 -34,-0.1 -0.980 15.5-158.4-128.4 146.2 -16.5 -0.2 -53.1 56 146 A F S S+ 0 0 58 -2,-0.4 2,-0.3 52,-0.1 -30,-0.1 0.426 70.4 18.2-107.0 -4.2 -15.0 -0.5 -56.5 57 147 A S S > S- 0 0 58 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.978 76.6-104.8-156.6 167.4 -11.4 -1.6 -55.8 58 148 A L H > S+ 0 0 116 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.935 120.1 50.5 -58.6 -50.5 -9.2 -3.2 -53.1 59 149 A M H > S+ 0 0 104 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.916 107.8 54.3 -51.6 -49.8 -7.6 0.1 -52.3 60 150 A H H > S+ 0 0 26 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.959 116.9 35.0 -51.4 -59.8 -11.0 1.8 -51.9 61 151 A I H X S+ 0 0 13 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.889 117.0 52.8 -67.9 -40.9 -12.3 -0.7 -49.4 62 152 A L H X S+ 0 0 114 -4,-3.2 4,-1.7 -5,-0.2 -2,-0.2 0.950 116.8 38.8 -61.1 -48.8 -9.0 -1.3 -47.6 63 153 A F H X S+ 0 0 72 -4,-3.1 4,-2.2 -5,-0.3 5,-0.2 0.935 117.2 48.4 -71.2 -42.6 -8.4 2.4 -47.0 64 154 A N H X S+ 0 0 17 -4,-2.8 4,-2.9 -5,-0.4 5,-0.2 0.949 114.6 45.7 -60.8 -46.4 -12.0 3.3 -46.2 65 155 A L H X S+ 0 0 17 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.822 109.5 55.7 -68.8 -31.6 -12.5 0.5 -43.8 66 156 A L H X S+ 0 0 87 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.947 113.5 39.9 -63.0 -50.6 -9.1 1.2 -42.1 67 157 A W H X>S+ 0 0 30 -4,-2.2 4,-2.9 2,-0.2 5,-0.7 0.902 116.2 50.8 -66.2 -39.4 -10.1 4.8 -41.4 68 158 A W H X>S+ 0 0 0 -4,-2.9 4,-1.2 -5,-0.2 5,-0.8 0.915 109.7 52.2 -60.5 -43.1 -13.7 3.8 -40.5 69 159 A W H X5S+ 0 0 145 -4,-2.6 4,-0.5 3,-0.2 -2,-0.2 0.894 118.4 35.4 -58.3 -46.6 -12.3 1.1 -38.1 70 160 A Y H X5S+ 0 0 96 -4,-1.9 4,-1.8 3,-0.2 -2,-0.2 0.939 128.4 30.7 -78.6 -53.6 -10.0 3.7 -36.3 71 161 A L H X5S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.946 125.8 43.4 -73.3 -50.0 -12.1 6.9 -36.3 72 162 A G H XS+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.8 0.935 112.6 48.6 -54.6 -46.9 -16.1 7.6 -31.6 76 166 A E H X5S+ 0 0 10 -4,-2.6 4,-1.2 3,-0.2 -1,-0.2 0.932 114.9 44.5 -59.1 -47.7 -18.2 4.5 -30.8 77 167 A K H <5S+ 0 0 188 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.908 125.8 28.6 -65.3 -45.1 -16.1 3.6 -27.8 78 168 A R H <5S+ 0 0 146 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.745 135.5 25.0 -90.2 -27.5 -15.8 7.1 -26.2 79 169 A L H <5S- 0 0 49 -4,-2.7 4,-0.3 -5,-0.4 -3,-0.2 0.537 110.4-106.2-119.7 -13.4 -19.0 8.8 -27.4 80 170 A G X< - 0 0 28 -4,-1.2 4,-1.4 -5,-0.8 -1,-0.1 -0.026 26.5 -83.7 105.9 155.3 -21.4 5.8 -28.0 81 171 A S H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.850 121.4 61.3 -58.4 -41.2 -23.0 3.9 -30.9 82 172 A G H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 102.8 50.9 -53.9 -48.6 -25.8 6.5 -31.2 83 173 A K H > S+ 0 0 55 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.921 111.2 47.0 -54.5 -49.6 -23.3 9.2 -32.1 84 174 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.890 110.3 54.0 -63.0 -40.2 -21.6 7.1 -34.7 85 175 A I H X S+ 0 0 72 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.936 110.7 45.0 -59.6 -45.9 -24.9 6.1 -36.3 86 176 A V H X S+ 0 0 65 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.919 112.2 50.2 -69.7 -42.1 -26.1 9.7 -36.6 87 177 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.924 114.5 47.3 -57.5 -43.5 -22.7 10.9 -38.1 88 178 A T H X S+ 0 0 14 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.923 112.7 46.2 -65.0 -48.7 -22.9 8.1 -40.6 89 179 A L H X S+ 0 0 77 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.938 116.6 43.9 -63.7 -46.2 -26.5 8.6 -41.6 90 180 A I H X S+ 0 0 75 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.931 116.5 44.9 -67.1 -46.9 -26.2 12.3 -42.1 91 181 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 5,-0.4 0.902 113.2 51.0 -65.7 -39.6 -22.9 12.3 -43.9 92 182 A A H X S+ 0 0 4 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.951 113.9 45.2 -62.8 -46.7 -23.9 9.4 -46.2 93 183 A L H X S+ 0 0 63 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.946 118.0 41.0 -59.3 -51.9 -27.2 11.2 -47.1 94 184 A L H X S+ 0 0 74 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.924 116.9 46.0 -71.0 -42.3 -25.6 14.6 -47.7 95 185 A S H X S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.901 114.9 49.5 -67.5 -37.6 -22.4 13.4 -49.6 96 186 A G H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.4 5,-0.3 0.933 111.0 50.0 -61.3 -46.4 -24.6 11.1 -51.7 97 187 A Y H X S+ 0 0 117 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.949 113.4 44.4 -55.6 -52.2 -26.9 14.0 -52.4 98 188 A V H X S+ 0 0 25 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.921 113.3 52.2 -62.9 -43.9 -24.1 16.3 -53.5 99 189 A Q H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.933 111.2 44.2 -56.4 -52.9 -22.4 13.6 -55.5 100 190 A Q H X S+ 0 0 49 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.861 110.6 58.3 -64.1 -30.7 -25.5 12.7 -57.5 101 191 A K H < S+ 0 0 127 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.894 117.5 28.9 -65.4 -42.3 -26.2 16.3 -58.0 102 192 A F H < S+ 0 0 143 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.796 140.5 14.5 -87.5 -31.1 -22.9 17.1 -59.7 103 193 A S H < S- 0 0 73 -4,-2.5 3,-0.3 1,-0.3 -3,-0.2 0.284 103.9-103.5-135.4 6.1 -22.1 13.7 -61.3 104 194 A G < - 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