==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHEROMONE-BINDING PROTEIN 07-JAN-13 4INW . COMPND 2 MOLECULE: PHEROMONE-BINDING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYELOIS TRANSITELLA; . AUTHOR E.DI LUCCIO,D.K.WILSON . 140 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 75.7 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 . 2 1.4 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 . 1 0.7 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 . 7 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.9 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 0 1 0 0 1 0 1 0 1 1 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 . 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 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 1 A S > 0 0 36 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 160.3 28.9 -22.3 0.7 2 2 A P H > + 0 0 43 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.808 360.0 58.3 -59.0 -32.6 29.1 -22.4 4.5 3 3 A E H > S+ 0 0 138 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.923 109.4 42.1 -68.0 -45.1 32.7 -23.5 4.2 4 4 A I H > S+ 0 0 36 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.913 113.7 53.0 -63.7 -46.0 33.7 -20.4 2.2 5 5 A M H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.874 106.4 54.0 -61.4 -30.7 31.7 -18.2 4.5 6 6 A K H X S+ 0 0 104 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.935 110.7 45.7 -62.4 -46.6 33.5 -19.6 7.5 7 7 A D H X S+ 0 0 59 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.931 113.7 47.7 -66.9 -44.4 36.8 -18.8 6.0 8 8 A L H X S+ 0 0 13 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.905 112.6 51.9 -58.2 -45.1 35.7 -15.3 5.0 9 9 A S H X S+ 0 0 7 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.917 109.8 47.4 -56.9 -49.6 34.3 -14.9 8.6 10 10 A I H X S+ 0 0 44 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.933 114.9 46.0 -61.9 -44.9 37.5 -15.9 10.3 11 11 A N H >< S+ 0 0 49 -4,-2.4 3,-0.6 1,-0.2 4,-0.3 0.894 110.8 52.0 -68.6 -30.9 39.6 -13.7 8.2 12 12 A F H >< S+ 0 0 40 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.904 113.9 44.9 -69.6 -36.7 37.2 -10.7 8.6 13 13 A G H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.2 4,-0.3 0.549 84.1 94.5 -82.6 -5.7 37.3 -11.2 12.4 14 14 A K T << S+ 0 0 124 -4,-0.8 3,-0.3 -3,-0.6 4,-0.3 0.780 86.4 49.4 -63.9 -25.7 41.1 -11.6 12.7 15 15 A A T <> S+ 0 0 23 -3,-0.6 4,-3.0 -4,-0.3 -1,-0.3 0.231 78.5 109.0 -90.7 10.8 41.6 -7.9 13.4 16 16 A L H <> S+ 0 0 0 -3,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.901 79.5 43.8 -59.1 -48.0 38.9 -7.8 16.1 17 17 A D H > S+ 0 0 62 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.940 114.6 52.1 -64.6 -39.1 41.2 -7.3 19.1 18 18 A T H > S+ 0 0 59 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.942 111.6 45.8 -58.5 -47.0 43.2 -4.7 17.1 19 19 A a H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.906 110.0 54.4 -63.6 -40.9 40.1 -2.8 16.3 20 20 A K H X>S+ 0 0 14 -4,-2.7 5,-2.0 -5,-0.2 4,-0.5 0.884 111.5 45.1 -58.8 -42.0 38.9 -3.0 20.0 21 21 A K H ><5S+ 0 0 131 -4,-2.2 3,-0.5 3,-0.2 -2,-0.2 0.912 112.6 50.4 -69.8 -41.1 42.2 -1.5 21.1 22 22 A E H 3<5S+ 0 0 108 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.842 122.1 33.2 -63.5 -35.9 42.2 1.2 18.5 23 23 A L H 3<5S- 0 0 76 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.373 103.2-127.1 -99.5 -1.2 38.6 2.2 19.4 24 24 A D T <<5 - 0 0 147 -4,-0.5 -3,-0.2 -3,-0.5 -4,-0.1 0.883 44.9-178.8 50.0 52.1 38.8 1.5 23.1 25 25 A L < - 0 0 20 -5,-2.0 -1,-0.2 -6,-0.2 2,-0.1 -0.451 23.8-114.3 -85.0 149.1 35.7 -0.7 22.7 26 26 A P > - 0 0 50 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.408 18.4-118.4 -81.2 158.3 34.2 -2.4 25.7 27 27 A D G > S+ 0 0 114 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.647 102.6 84.4 -69.2 -15.0 34.0 -6.2 26.2 28 28 A S G 3 S+ 0 0 77 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.660 83.4 61.0 -64.2 -10.5 30.2 -6.0 26.1 29 29 A I G X> S+ 0 0 0 -3,-1.7 4,-1.2 1,-0.2 3,-1.0 0.667 83.5 83.0 -84.0 -16.3 30.5 -6.1 22.3 30 30 A N H X> S+ 0 0 30 -3,-1.8 4,-2.5 1,-0.3 3,-0.8 0.905 82.9 55.7 -59.4 -43.9 32.1 -9.5 22.4 31 31 A E H 3> S+ 0 0 110 -4,-0.4 4,-1.5 1,-0.3 -1,-0.3 0.786 101.7 59.7 -59.6 -32.7 28.9 -11.6 22.7 32 32 A D H <4 S+ 0 0 9 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.861 108.8 44.1 -61.9 -38.3 27.6 -9.9 19.5 33 33 A F H X< S+ 0 0 1 -4,-1.2 3,-1.4 -3,-0.8 102,-0.4 0.893 110.5 53.4 -70.7 -40.9 30.6 -11.3 17.6 34 34 A Y H 3< S+ 0 0 98 -4,-2.5 3,-0.2 1,-0.3 -2,-0.2 0.804 118.8 37.3 -61.8 -29.7 30.3 -14.7 19.2 35 35 A K T >< S+ 0 0 43 -4,-1.5 3,-1.6 -5,-0.2 -1,-0.3 0.173 81.7 119.6-101.3 10.9 26.6 -14.8 18.0 36 36 A F T < S+ 0 0 19 -3,-1.4 96,-0.2 1,-0.3 -1,-0.1 0.866 82.4 33.8 -50.9 -45.4 27.2 -13.1 14.7 37 37 A W T 3 S+ 0 0 7 94,-2.2 2,-0.3 -4,-0.3 -1,-0.3 0.399 84.4 126.9 -95.5 8.5 25.9 -15.9 12.5 38 38 A K S X S- 0 0 91 -3,-1.6 3,-2.0 93,-0.4 -3,-0.1 -0.442 70.8-110.6 -67.3 122.2 23.2 -17.1 15.0 39 39 A E T 3 S+ 0 0 123 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.289 97.0 6.9 -59.1 135.0 20.0 -17.2 12.9 40 40 A D T 3 S+ 0 0 108 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.460 91.4 135.2 73.0 0.4 17.5 -14.5 14.0 41 41 A Y < - 0 0 46 -3,-2.0 2,-0.6 -6,-0.2 -1,-0.2 -0.742 42.0-155.3 -79.4 122.3 20.0 -12.9 16.4 42 42 A E - 0 0 108 -2,-0.6 2,-0.5 -3,-0.1 -6,-0.0 -0.879 5.7-148.0-102.8 122.7 19.8 -9.0 16.0 43 43 A I + 0 0 2 -2,-0.6 73,-0.1 1,-0.1 -2,-0.0 -0.812 25.4 165.6 -80.6 127.0 22.8 -7.0 16.9 44 44 A T + 0 0 112 -2,-0.5 2,-0.5 69,-0.0 -1,-0.1 0.536 37.0 107.2-118.5 -13.8 21.6 -3.5 18.1 45 45 A N >> - 0 0 51 1,-0.2 4,-1.5 2,-0.1 3,-1.2 -0.528 56.4-153.1 -76.4 116.4 24.7 -2.0 19.8 46 46 A R H 3> S+ 0 0 101 -2,-0.5 4,-2.0 1,-0.3 -1,-0.2 0.816 95.5 63.9 -56.4 -30.7 26.1 0.8 17.6 47 47 A L H 3> S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.831 99.1 51.8 -62.3 -36.2 29.5 0.1 19.2 48 48 A T H <> S+ 0 0 0 -3,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.894 107.5 54.9 -63.6 -37.3 29.5 -3.3 17.6 49 49 A G H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.893 104.8 52.0 -57.9 -45.1 28.7 -1.5 14.4 50 50 A b H X S+ 0 0 19 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.875 109.9 49.2 -60.1 -41.5 31.8 0.6 14.9 51 51 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.921 110.4 49.4 -61.5 -51.2 33.9 -2.5 15.3 52 52 A I H X S+ 0 0 8 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.884 110.7 52.6 -54.9 -40.8 32.4 -4.1 12.1 53 53 A K H X S+ 0 0 47 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.938 109.0 48.2 -59.6 -46.3 33.2 -0.8 10.3 54 54 A a H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.909 109.5 52.5 -62.5 -41.8 36.8 -0.9 11.5 55 55 A L H X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.903 110.5 48.9 -59.5 -40.4 37.1 -4.6 10.4 56 56 A S H <>S+ 0 0 19 -4,-2.3 5,-2.7 1,-0.2 3,-0.4 0.898 110.3 50.7 -66.9 -43.5 35.8 -3.6 6.9 57 57 A E H ><5S+ 0 0 89 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.876 103.4 59.5 -63.1 -33.6 38.3 -0.7 6.8 58 58 A K H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.846 108.1 45.3 -63.9 -32.0 41.2 -3.1 7.7 59 59 A L T 3<5S- 0 0 52 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.255 116.4-116.9 -93.6 10.8 40.4 -5.1 4.6 60 60 A E T < 5S+ 0 0 133 -3,-1.9 -3,-0.2 1,-0.1 12,-0.2 0.789 71.4 138.8 62.3 30.2 40.1 -1.9 2.5 61 61 A M < + 0 0 19 -5,-2.7 8,-2.2 -6,-0.1 2,-0.5 0.407 46.5 78.7 -86.6 0.5 36.4 -2.7 1.9 62 62 A V B S-A 68 0A 39 -6,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.953 71.8-147.4-111.2 127.6 35.2 0.8 2.2 63 63 A D > - 0 0 47 4,-3.3 3,-1.9 -2,-0.5 6,-0.1 -0.112 38.5 -85.0 -83.1 178.0 35.7 3.2 -0.7 64 64 A A T 3 S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 5,-0.0 0.663 128.8 50.1 -63.9 -13.6 36.4 6.9 -0.5 65 65 A D T 3 S- 0 0 133 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.354 120.5-102.9-104.4 7.7 32.6 7.7 -0.3 66 66 A G S < S+ 0 0 15 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.630 85.7 115.8 79.8 22.4 31.9 5.2 2.5 67 67 A K S S- 0 0 87 1,-0.1 -4,-3.3 0, 0.0 -1,-0.3 -0.620 78.5 -67.8-114.4 169.0 30.4 2.6 0.3 68 68 A L B -A 62 0A 15 -6,-0.2 2,-1.0 -2,-0.2 -6,-0.2 -0.312 40.1-136.2 -58.7 132.6 31.6 -1.0 -0.5 69 69 A H > - 0 0 66 -8,-2.2 4,-2.3 1,-0.2 5,-0.2 -0.819 19.8-165.0 -86.3 102.0 34.8 -1.1 -2.5 70 70 A H H > S+ 0 0 68 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.900 80.7 51.4 -61.5 -43.2 33.8 -3.8 -5.0 71 71 A G H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 114.1 42.7 -64.3 -40.9 37.2 -4.5 -6.2 72 72 A N H > S+ 0 0 41 2,-0.2 4,-2.1 -12,-0.2 -1,-0.2 0.860 113.3 52.6 -75.6 -30.3 38.8 -5.0 -2.8 73 73 A A H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.906 110.6 48.7 -65.6 -42.6 35.7 -7.0 -1.6 74 74 A R H X S+ 0 0 112 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.924 109.6 51.4 -61.2 -46.1 36.1 -9.3 -4.6 75 75 A E H X S+ 0 0 92 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.921 111.2 48.5 -60.1 -44.3 39.8 -9.7 -4.0 76 76 A F H X S+ 0 0 20 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.948 112.4 47.9 -58.7 -48.3 39.1 -10.7 -0.3 77 77 A A H ><>S+ 0 0 4 -4,-2.6 5,-2.2 1,-0.2 3,-0.6 0.905 112.6 47.9 -60.2 -45.2 36.4 -13.2 -1.3 78 78 A M H ><5S+ 0 0 58 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.872 101.0 63.9 -70.6 -31.2 38.5 -14.8 -4.0 79 79 A K H 3<5S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.820 108.1 44.3 -57.5 -33.1 41.7 -15.2 -1.8 80 80 A H T <<5S- 0 0 42 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.150 137.0 -71.5-109.1 21.6 39.6 -17.5 0.5 81 81 A G T < 5S+ 0 0 49 -3,-1.7 -3,-0.2 1,-0.4 2,-0.2 0.296 82.7 133.8 123.1 -18.7 37.9 -19.7 -2.1 82 82 A A < - 0 0 6 -5,-2.2 -1,-0.4 -6,-0.2 2,-0.1 -0.529 44.2-143.5 -64.2 136.0 35.2 -17.7 -4.0 83 83 A D > - 0 0 100 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.350 39.6 -89.8 -77.6-178.9 35.2 -18.0 -7.7 84 84 A D H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.880 128.8 53.6 -62.0 -37.1 34.4 -14.9 -9.8 85 85 A A H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.931 110.9 43.2 -61.6 -54.2 30.7 -15.9 -9.7 86 86 A M H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.885 113.0 53.9 -62.4 -43.0 30.5 -16.2 -5.9 87 87 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.909 111.5 44.5 -53.2 -47.2 32.5 -13.0 -5.4 88 88 A K H X S+ 0 0 113 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.898 111.5 53.2 -63.5 -46.1 30.1 -11.1 -7.6 89 89 A Q H X S+ 0 0 82 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.931 111.8 47.0 -59.0 -38.0 27.1 -12.7 -5.9 90 90 A L H X S+ 0 0 10 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.925 111.7 48.5 -68.2 -44.1 28.5 -11.6 -2.5 91 91 A V H X S+ 0 0 8 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.896 109.9 53.2 -65.1 -40.4 29.2 -8.1 -3.6 92 92 A D H X S+ 0 0 75 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.876 106.5 52.6 -61.3 -39.7 25.8 -7.8 -5.1 93 93 A L H X S+ 0 0 30 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.931 111.7 45.2 -60.6 -44.5 24.2 -8.8 -1.8 94 94 A I H X S+ 0 0 34 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.938 114.3 48.7 -64.8 -44.5 26.1 -6.2 0.1 95 95 A H H X S+ 0 0 71 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.945 110.3 51.9 -58.8 -45.2 25.3 -3.5 -2.6 96 96 A G H X S+ 0 0 34 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.898 109.5 50.3 -56.7 -42.1 21.7 -4.5 -2.4 97 97 A c H >X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 3,-0.5 0.932 106.2 54.5 -65.2 -43.0 21.8 -4.1 1.4 98 98 A E H 3< S+ 0 0 28 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.853 113.1 44.3 -53.5 -42.7 23.3 -0.7 1.1 99 99 A K H 3< S+ 0 0 161 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.652 117.2 42.9 -79.4 -14.1 20.4 0.3 -1.2 100 100 A S H << S+ 0 0 82 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.702 88.4 98.1-102.3 -28.1 17.6 -1.3 0.9 101 101 A I S < S- 0 0 13 -4,-2.1 3,-0.1 -5,-0.1 13,-0.0 -0.309 87.5 -99.2 -63.3 150.0 18.5 -0.3 4.5 102 102 A P - 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