==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 09-FEB-11 3QNT . COMPND 2 MOLECULE: NIEMANN-PICK C1-LIKE PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.J.KWON . 244 1 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 10.2 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 . 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 . 1 0.4 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 . 16 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 1 0 0 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 . 1 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 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 22 A E 0 0 185 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.2 -30.7 -43.7 -2.6 2 23 A P - 0 0 93 0, 0.0 3,-0.2 0, 0.0 117,-0.1 -0.495 360.0-168.6 -72.8 146.7 -28.5 -40.8 -1.5 3 24 A Y S S+ 0 0 66 115,-0.4 2,-0.5 1,-0.2 36,-0.2 0.721 81.2 36.0-106.6 -33.7 -25.4 -40.2 -3.6 4 25 A T + 0 0 5 114,-0.4 -1,-0.2 1,-0.1 3,-0.1 -0.829 65.5 147.0-122.1 90.9 -23.6 -37.6 -1.5 5 26 A T + 0 0 101 -2,-0.5 2,-0.8 -3,-0.2 -1,-0.1 0.830 59.0 67.3 -92.5 -39.8 -24.3 -38.5 2.2 6 27 A I + 0 0 66 -3,-0.2 2,-0.6 6,-0.1 -1,-0.1 -0.775 56.4 176.5 -84.9 109.3 -20.9 -37.4 3.7 7 28 A H + 0 0 41 -2,-0.8 107,-0.1 107,-0.1 5,-0.1 -0.775 33.1 134.3-109.3 81.8 -20.7 -33.6 3.4 8 29 A Q > - 0 0 110 -2,-0.6 3,-1.2 4,-0.1 105,-0.3 -0.920 61.3 -98.8-130.2 151.8 -17.4 -33.1 5.2 9 30 A P T 3 S+ 0 0 70 0, 0.0 102,-0.2 0, 0.0 3,-0.1 -0.447 111.8 30.0 -64.4 146.0 -14.1 -31.2 4.8 10 31 A G T 3 S+ 0 0 20 100,-0.7 32,-2.7 1,-0.2 2,-0.4 0.564 102.7 114.2 78.3 10.3 -11.3 -33.4 3.3 11 32 A Y B < -A 41 0A 79 -3,-1.2 102,-2.2 30,-0.3 103,-0.3 -0.954 54.7-146.5-124.6 133.2 -14.0 -35.4 1.5 12 33 A a - 0 0 0 28,-3.0 3,-0.1 -2,-0.4 -6,-0.1 -0.432 11.6-156.0 -89.7 161.7 -14.8 -35.7 -2.2 13 34 A A S S+ 0 0 0 1,-0.4 25,-2.2 26,-0.2 2,-0.3 0.748 83.3 6.1 -99.1 -42.7 -18.1 -36.2 -4.0 14 35 A F E -B 37 0B 4 23,-0.3 -1,-0.4 55,-0.2 2,-0.3 -0.982 62.2-170.2-142.0 152.3 -16.5 -37.9 -7.1 15 36 A Y E + 0 0 26 21,-2.4 21,-0.4 -2,-0.3 55,-0.1 -0.997 48.9 2.1-145.8 142.7 -13.1 -39.2 -8.2 16 37 A D E S- 0 0 74 -2,-0.3 20,-1.5 19,-0.1 2,-0.4 0.050 84.0 -67.6 72.3 176.3 -11.7 -40.4 -11.5 17 38 A E E -B 35 0B 41 18,-0.2 18,-0.3 1,-0.1 57,-0.0 -0.814 34.7-179.8-104.3 141.7 -13.2 -40.7 -15.0 18 39 A b E - 0 0 19 16,-3.6 2,-0.3 -2,-0.4 17,-0.2 0.643 46.6-107.9-112.2 -25.7 -16.0 -43.1 -15.8 19 40 A G E +B 34 0B 15 15,-1.0 15,-3.0 105,-0.0 -1,-0.3 -0.963 62.2 4.0 137.8-152.2 -16.6 -42.4 -19.6 20 41 A K - 0 0 158 -2,-0.3 13,-0.1 13,-0.2 0, 0.0 -0.352 64.6-114.7 -72.0 149.1 -19.0 -40.7 -21.9 21 42 A N > - 0 0 16 11,-0.3 3,-0.5 1,-0.1 -1,-0.1 -0.795 22.0-159.6 -83.0 117.0 -22.2 -38.9 -20.8 22 43 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.755 88.9 58.1 -70.2 -27.8 -25.2 -40.9 -22.1 23 44 A E T 3 S+ 0 0 84 2,-0.1 2,-0.5 110,-0.0 172,-0.1 0.730 88.4 88.7 -74.0 -25.0 -27.6 -38.0 -21.8 24 45 A L S < S- 0 0 35 -3,-0.5 2,-0.2 170,-0.2 6,-0.1 -0.670 81.6-133.4 -76.0 119.8 -25.4 -36.0 -24.1 25 46 A S > - 0 0 105 -2,-0.5 2,-2.0 1,-0.1 3,-0.6 -0.531 23.8-104.9 -77.8 140.9 -26.5 -36.7 -27.7 26 47 A G T 3 S+ 0 0 89 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.439 85.2 111.1 -67.0 81.5 -23.8 -37.4 -30.3 27 48 A S T 3 S+ 0 0 107 -2,-2.0 2,-0.4 1,-0.5 -1,-0.2 0.677 76.0 24.1-124.8 -48.1 -24.0 -34.0 -32.0 28 49 A L S < S- 0 0 145 -3,-0.6 -1,-0.5 163,-0.0 2,-0.1 -0.988 98.0 -90.9-124.4 141.6 -20.7 -32.3 -31.3 29 50 A M - 0 0 145 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.0 -0.262 43.8-129.1 -53.7 112.8 -17.5 -34.1 -30.4 30 51 A T - 0 0 75 1,-0.1 -1,-0.1 -2,-0.1 51,-0.0 -0.542 20.8-169.5 -70.8 121.5 -17.5 -34.4 -26.6 31 52 A L + 0 0 96 -2,-0.4 2,-0.4 49,-0.1 -1,-0.1 0.499 65.7 58.1 -89.8 -7.7 -14.1 -33.1 -25.2 32 53 A S - 0 0 14 48,-0.1 -11,-0.3 49,-0.1 2,-0.2 -0.940 64.2-148.1-127.1 146.0 -14.8 -34.4 -21.7 33 54 A N - 0 0 67 -2,-0.4 2,-0.2 -13,-0.1 -13,-0.2 -0.479 32.9-107.7 -90.0 176.7 -15.5 -37.6 -19.9 34 55 A V E -B 19 0B 3 -15,-3.0 -16,-3.6 -2,-0.2 -15,-1.0 -0.700 30.0-106.2-110.5 161.1 -17.7 -37.8 -16.8 35 56 A S E -BC 17 132B 12 97,-0.5 97,-3.2 -18,-0.3 2,-0.5 -0.491 23.6-118.9 -90.3 154.6 -16.7 -38.5 -13.2 36 57 A b E - C 0 131B 13 -20,-1.5 -21,-2.4 -21,-0.4 95,-0.3 -0.801 33.8-108.3 -91.6 127.9 -17.2 -41.6 -11.0 37 58 A L E +B 14 0B 23 93,-2.7 -23,-0.3 -2,-0.5 2,-0.1 -0.311 52.6 157.6 -48.8 125.3 -19.3 -41.3 -7.8 38 59 A S - 0 0 15 -25,-2.2 2,-2.3 -35,-0.1 -26,-0.1 -0.510 24.9-175.2-162.7 81.9 -16.8 -41.5 -4.9 39 60 A N + 0 0 30 -36,-0.2 -26,-0.2 -2,-0.1 -25,-0.1 -0.388 50.0 126.2 -78.3 62.4 -17.8 -40.1 -1.6 40 61 A T - 0 0 48 -2,-2.3 -28,-3.0 1,-0.1 3,-0.1 -0.758 67.8 -74.7-124.9 160.6 -14.4 -40.8 -0.2 41 62 A P B -A 11 0A 72 0, 0.0 -30,-0.3 0, 0.0 -1,-0.1 -0.193 60.7 -93.7 -54.2 148.8 -11.5 -38.9 1.5 42 63 A A - 0 0 12 -32,-2.7 2,-0.2 68,-0.3 27,-0.2 -0.217 41.6-115.9 -65.8 154.8 -9.4 -36.6 -0.6 43 64 A R E -G 68 0C 69 25,-2.2 25,-1.8 -3,-0.1 2,-0.5 -0.560 17.0-114.8 -94.9 153.5 -6.2 -37.8 -2.2 44 65 A K E -G 67 0C 152 23,-0.2 2,-0.6 -2,-0.2 23,-0.2 -0.800 34.2-139.2 -84.8 125.0 -2.6 -36.7 -1.7 45 66 A I + 0 0 1 21,-2.2 21,-0.4 -2,-0.5 2,-0.3 -0.787 36.8 150.6 -97.4 118.8 -1.4 -35.2 -5.0 46 67 A T >> + 0 0 96 -2,-0.6 3,-0.7 19,-0.1 4,-0.6 -0.821 40.9 5.2-137.0 171.6 2.2 -36.1 -6.0 47 68 A G H >> S- 0 0 52 -2,-0.3 4,-1.1 1,-0.2 3,-0.8 -0.171 125.0 -6.7 58.6-135.5 4.4 -36.5 -9.1 48 69 A D H 3> S+ 0 0 143 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.898 131.4 64.3 -60.5 -43.7 2.9 -35.7 -12.5 49 70 A H H <> S+ 0 0 26 -3,-0.7 4,-2.0 1,-0.2 -1,-0.3 0.798 99.4 55.4 -48.1 -36.5 -0.5 -35.2 -10.9 50 71 A L H < S+ 0 0 0 -4,-2.3 3,-2.6 -5,-0.4 4,-0.5 -0.530 70.7 169.3-123.7 66.5 -5.8 -25.2 -11.0 58 79 A P G > S+ 0 0 66 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.807 74.4 56.8 -52.0 -38.8 -3.1 -22.9 -9.7 59 80 A R G 3 S+ 0 0 78 1,-0.3 -5,-0.1 38,-0.1 -2,-0.0 0.535 101.7 57.9 -74.0 -6.9 -5.1 -21.7 -6.6 60 81 A L G < S+ 0 0 14 -3,-2.6 2,-0.6 -7,-0.3 -1,-0.3 0.468 79.3 102.1 -99.9 -5.2 -5.6 -25.2 -5.4 61 82 A Y < + 0 0 82 -3,-1.5 5,-0.1 -4,-0.5 7,-0.0 -0.725 45.1 175.5 -77.6 117.7 -1.8 -25.9 -5.2 62 83 A T - 0 0 95 -2,-0.6 3,-0.4 1,-0.5 -1,-0.1 -0.216 51.5 -84.5-120.2 40.7 -1.0 -25.6 -1.5 63 84 A G S S- 0 0 19 1,-0.2 -1,-0.5 3,-0.0 0, 0.0 -0.384 78.8 -37.3 86.5-169.0 2.7 -26.5 -1.5 64 85 A P S S+ 0 0 103 0, 0.0 2,-1.3 0, 0.0 -1,-0.2 0.816 131.7 67.3 -61.4 -30.9 4.2 -30.1 -1.3 65 86 A N S S+ 0 0 149 -3,-0.4 2,-0.4 -21,-0.1 -19,-0.1 -0.719 74.0 151.9 -91.0 85.3 1.3 -31.1 1.0 66 87 A T - 0 0 3 -2,-1.3 -21,-2.2 -21,-0.4 2,-0.4 -0.933 25.2-169.7-116.8 139.5 -1.6 -30.8 -1.4 67 88 A Q E +G 44 0C 73 -2,-0.4 2,-0.3 -7,-0.2 -23,-0.2 -0.971 14.1 165.8-124.5 146.9 -4.9 -32.7 -1.4 68 89 A A E -G 43 0C 0 -25,-1.8 -25,-2.2 -2,-0.4 41,-0.2 -0.951 40.0-133.0-152.4 168.3 -7.5 -32.7 -4.1 69 90 A a S S+ 0 0 0 39,-2.4 2,-0.4 -2,-0.3 -55,-0.2 0.023 80.5 81.6-117.0 24.2 -10.6 -34.5 -5.4 70 91 A d - 0 0 0 38,-0.4 -55,-0.1 -55,-0.1 38,-0.1 -0.998 68.0-137.2-131.3 134.6 -9.6 -34.8 -9.1 71 92 A S > - 0 0 6 -2,-0.4 4,-1.1 1,-0.1 -2,-0.1 -0.176 36.1 -99.9 -73.2 174.0 -7.3 -37.4 -10.7 72 93 A A H > S+ 0 0 37 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.905 127.2 54.5 -58.7 -40.6 -4.7 -36.6 -13.3 73 94 A K H > S+ 0 0 144 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.835 104.0 54.1 -62.7 -36.8 -7.3 -37.8 -15.9 74 95 A Q H > S+ 0 0 3 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.765 101.8 58.1 -70.2 -28.8 -9.9 -35.4 -14.6 75 96 A L H X S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.5 -1,-0.2 0.798 104.5 50.7 -73.9 -30.6 -7.6 -32.4 -15.0 76 97 A V H X S+ 0 0 88 -4,-1.0 4,-1.5 -3,-0.2 -2,-0.2 0.877 110.8 48.9 -71.5 -40.7 -7.2 -33.0 -18.7 77 98 A S H X S+ 0 0 14 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.810 110.6 53.9 -66.1 -31.5 -11.0 -33.3 -19.1 78 99 A L H X S+ 0 0 12 -4,-1.4 4,-1.4 2,-0.2 3,-0.4 0.985 109.8 42.9 -66.3 -60.5 -11.3 -30.0 -17.1 79 100 A E H X S+ 0 0 39 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.751 111.0 59.2 -58.4 -28.0 -8.9 -27.9 -19.3 80 101 A A H < S+ 0 0 21 -4,-1.5 4,-0.4 1,-0.2 3,-0.3 0.934 110.3 39.4 -64.4 -48.6 -10.5 -29.5 -22.4 81 102 A S H < S+ 0 0 30 -4,-1.6 4,-0.3 -3,-0.4 -2,-0.2 0.608 116.2 52.2 -80.6 -14.3 -14.0 -28.2 -21.6 82 103 A L H X S+ 0 0 4 -4,-1.4 4,-3.2 1,-0.1 5,-0.3 0.663 86.6 85.5 -90.9 -19.1 -12.6 -24.8 -20.3 83 104 A S H X S+ 0 0 63 -4,-1.1 4,-1.2 -3,-0.3 -2,-0.1 0.813 86.8 52.7 -52.1 -40.0 -10.6 -24.2 -23.5 84 105 A I H > S+ 0 0 120 -4,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.929 117.1 35.5 -65.4 -48.3 -13.6 -22.6 -25.3 85 106 A T H >> S+ 0 0 2 -4,-0.3 3,-1.1 -3,-0.2 4,-1.0 0.920 110.4 61.3 -74.0 -44.3 -14.5 -20.1 -22.6 86 107 A K H 3< S+ 0 0 63 -4,-3.2 3,-0.5 1,-0.3 -1,-0.2 0.820 99.4 59.7 -48.8 -35.1 -10.8 -19.4 -21.5 87 108 A A H >< S+ 0 0 53 -4,-1.2 3,-1.0 -5,-0.3 -1,-0.3 0.866 101.9 51.8 -63.1 -38.7 -10.3 -18.1 -25.1 88 109 A L H << S+ 0 0 41 -3,-1.1 3,-0.3 -4,-0.7 -1,-0.2 0.712 110.3 49.3 -69.9 -22.5 -12.9 -15.4 -24.7 89 110 A L T >< S+ 0 0 1 -4,-1.0 3,-0.5 -3,-0.5 7,-0.4 0.096 71.8 111.2-108.9 20.8 -11.4 -14.1 -21.4 90 111 A T T < + 0 0 91 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.584 69.1 67.0 -75.4 -9.9 -7.7 -13.8 -22.6 91 112 A R T 3 S+ 0 0 79 64,-0.4 -1,-0.2 -3,-0.3 143,-0.2 0.907 108.8 35.8 -68.7 -43.9 -7.9 -10.0 -22.4 92 113 A e <> - 0 0 0 -3,-0.5 4,-2.0 63,-0.2 3,-0.5 -0.852 65.9-174.3-120.8 93.9 -8.3 -10.0 -18.6 93 114 A P H > S+ 0 0 73 0, 0.0 4,-3.0 0, 0.0 5,-0.1 0.766 83.9 59.3 -58.4 -32.2 -6.3 -12.8 -16.8 94 115 A A H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 126,-0.3 0.921 109.4 42.9 -63.7 -44.8 -7.8 -12.1 -13.4 95 116 A f H > S+ 0 0 0 -3,-0.5 4,-2.5 55,-0.2 -1,-0.2 0.881 114.5 51.4 -65.6 -40.3 -11.3 -12.8 -14.6 96 117 A S H X S+ 0 0 14 -4,-2.0 4,-2.3 -7,-0.4 -2,-0.2 0.927 109.9 49.5 -61.1 -46.8 -10.0 -15.8 -16.5 97 118 A D H X S+ 0 0 52 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.880 111.1 50.3 -56.7 -43.3 -8.4 -17.0 -13.3 98 119 A N H X S+ 0 0 4 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.915 110.6 48.1 -63.0 -47.4 -11.6 -16.5 -11.4 99 120 A F H X S+ 0 0 2 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.900 114.3 46.4 -59.2 -46.4 -13.7 -18.5 -14.0 100 121 A V H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 3,-0.4 0.912 110.9 52.1 -63.3 -44.6 -11.2 -21.4 -14.0 101 122 A N H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.783 102.5 60.6 -64.6 -29.0 -11.0 -21.5 -10.2 102 123 A L H X S+ 0 0 1 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.897 113.7 35.0 -63.5 -43.2 -14.8 -21.6 -10.0 103 124 A H H X S+ 0 0 15 -4,-1.2 4,-1.1 -3,-0.4 -2,-0.2 0.774 112.7 61.4 -82.6 -29.8 -14.8 -24.9 -12.0 104 125 A c H >X>S+ 0 0 0 -4,-2.5 4,-4.1 2,-0.2 3,-0.9 0.962 105.7 46.0 -59.0 -54.6 -11.5 -26.1 -10.4 105 126 A H H 3X5S+ 0 0 9 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.912 108.9 57.6 -52.1 -45.9 -13.1 -26.1 -6.9 106 127 A N H 3<5S+ 0 0 0 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.774 123.6 22.2 -56.4 -29.2 -16.1 -27.9 -8.3 107 128 A T H <<5S+ 0 0 20 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.756 136.1 25.7-109.6 -32.1 -13.9 -30.7 -9.6 108 129 A d H <5S+ 0 0 0 -4,-4.1 -39,-2.4 -5,-0.2 -38,-0.4 0.580 75.9 125.6-117.1 -17.7 -10.7 -30.7 -7.5 109 130 A S ><< - 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