==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 09-JUN-11 3ZQH . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, ESCHERICHIA COLI; . AUTHOR M.SEVVANA,D.GOEKE,C.STOECKLE,D.KASPAR,S.GRUBMUELLER,C.GOETZ, . 216 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 68.1 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 2 0 0 1 0 0 0 0 2 0 0 1 1 0 1 0 1 0 0 0 0 0 0 1 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 2 A S 0 0 117 0, 0.0 2,-0.4 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 -18.7 18.5 -28.4 18.7 2 3 A R - 0 0 200 33,-0.0 2,-0.3 2,-0.0 37,-0.0 -0.894 360.0-167.9-114.5 142.4 18.9 -25.1 20.5 3 4 A L + 0 0 24 -2,-0.4 2,-0.3 36,-0.1 3,-0.0 -0.921 14.4 165.9-124.5 156.8 17.3 -21.8 19.6 4 5 A D > - 0 0 90 -2,-0.3 4,-2.2 1,-0.0 5,-0.2 -0.893 53.0 -90.7-154.1 169.9 17.5 -18.1 20.5 5 6 A K H > S+ 0 0 118 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.873 122.6 48.5 -50.2 -51.7 16.1 -15.0 18.9 6 7 A S H > S+ 0 0 72 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.899 111.1 49.7 -65.5 -39.9 19.0 -14.3 16.6 7 8 A K H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.945 114.9 43.0 -63.7 -46.9 19.2 -17.9 15.3 8 9 A V H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.943 116.5 46.7 -65.7 -45.6 15.6 -18.2 14.5 9 10 A I H X S+ 0 0 8 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.903 112.2 50.5 -70.2 -39.4 15.3 -14.6 12.8 10 11 A N H X S+ 0 0 78 -4,-3.1 4,-1.7 -5,-0.2 -1,-0.2 0.900 113.5 44.8 -65.4 -43.1 18.5 -15.1 10.7 11 12 A S H X S+ 0 0 20 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.904 113.2 51.5 -63.9 -41.8 17.3 -18.4 9.3 12 13 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.862 107.5 51.2 -62.9 -36.1 13.8 -17.1 8.7 13 14 A L H X S+ 0 0 5 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.897 110.8 48.9 -73.4 -32.1 15.0 -14.1 6.8 14 15 A E H X S+ 0 0 103 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.922 111.7 49.2 -68.7 -41.8 17.1 -16.3 4.5 15 16 A L H X>S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 5,-0.5 0.905 107.6 55.8 -60.0 -43.1 14.1 -18.6 4.0 16 17 A L H X5S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.909 108.9 46.5 -53.6 -46.9 11.9 -15.5 3.2 17 18 A N H <5S+ 0 0 61 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 115.7 47.0 -65.4 -33.9 14.4 -14.5 0.4 18 19 A E H <5S+ 0 0 99 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.876 132.9 10.9 -73.9 -36.9 14.5 -18.2 -0.9 19 20 A V H X5S- 0 0 53 -4,-2.7 4,-0.7 1,-0.1 -3,-0.2 0.478 97.0-129.0-125.1 -12.4 10.7 -18.9 -1.0 20 21 A G H X< - 0 0 2 -4,-2.0 4,-1.1 -5,-0.5 3,-0.2 -0.076 45.9 -57.9 76.0 176.3 8.9 -15.5 -0.4 21 22 A I H 4 S+ 0 0 21 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.910 135.6 48.1 -68.6 -39.3 6.1 -14.8 2.1 22 23 A E H 4 S+ 0 0 161 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.876 111.3 53.1 -64.7 -34.2 3.6 -17.4 1.0 23 24 A G H < S+ 0 0 15 -4,-0.7 2,-0.5 -3,-0.2 -1,-0.2 0.712 90.9 95.6 -71.9 -22.5 6.4 -20.1 0.9 24 25 A L < + 0 0 0 -4,-1.1 2,-0.3 -3,-0.4 3,-0.0 -0.549 47.5 156.4 -77.9 118.6 7.4 -19.2 4.5 25 26 A T > - 0 0 23 -2,-0.5 4,-2.1 1,-0.1 5,-0.1 -0.977 51.6-117.2-136.2 159.5 5.9 -21.4 7.1 26 27 A T H > S+ 0 0 43 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.814 115.8 54.7 -62.0 -32.9 6.9 -22.3 10.7 27 28 A R H > S+ 0 0 126 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 108.3 47.1 -67.2 -41.7 7.3 -26.0 9.7 28 29 A K H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.903 113.1 50.8 -70.4 -32.9 9.7 -25.1 6.9 29 30 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.911 106.6 52.4 -65.9 -49.5 11.6 -22.9 9.2 30 31 A A H X>S+ 0 0 2 -4,-2.4 5,-2.5 1,-0.2 4,-0.7 0.911 111.5 49.6 -54.9 -40.1 11.9 -25.6 11.9 31 32 A Q H ><5S+ 0 0 152 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.914 109.0 48.9 -65.7 -43.2 13.3 -27.8 9.2 32 33 A K H 3<5S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.838 112.9 50.3 -63.2 -28.7 15.9 -25.3 8.0 33 34 A L H 3<5S- 0 0 19 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.561 108.6-126.1 -85.0 -12.7 16.9 -24.9 11.7 34 35 A G T <<5 + 0 0 60 -3,-0.9 2,-0.3 -4,-0.7 -3,-0.2 0.832 69.5 125.4 60.5 41.3 17.3 -28.6 12.2 35 36 A V < - 0 0 15 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.2 -0.901 66.4-110.7-124.5 156.5 14.9 -28.4 15.2 36 37 A E >> - 0 0 156 -2,-0.3 4,-1.3 -3,-0.1 3,-0.8 -0.544 37.8-111.6 -80.2 152.4 11.6 -30.1 16.2 37 38 A Q H 3> S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.792 110.9 59.7 -58.3 -35.9 8.5 -27.8 16.1 38 39 A P H 3> S+ 0 0 85 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.869 103.7 52.5 -67.7 -28.2 7.8 -27.6 19.8 39 40 A T H <4 S+ 0 0 54 -3,-0.8 3,-0.4 1,-0.2 4,-0.4 0.898 111.1 48.1 -64.6 -43.1 11.2 -26.1 20.5 40 41 A L H >X S+ 0 0 4 -4,-1.3 4,-2.3 1,-0.2 3,-2.3 0.913 98.9 69.0 -65.6 -36.2 10.4 -23.5 17.8 41 42 A Y H 3< S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.815 90.9 60.0 -51.4 -41.0 7.0 -22.8 19.4 42 43 A W T 3< S+ 0 0 204 -4,-1.0 -1,-0.3 -3,-0.4 3,-0.2 0.769 115.0 36.5 -62.7 -21.3 8.5 -21.1 22.4 43 44 A H T <4 S+ 0 0 86 -3,-2.3 2,-0.4 -4,-0.4 -2,-0.2 0.856 134.6 15.9 -98.6 -37.8 10.1 -18.6 20.1 44 45 A V < - 0 0 11 -4,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.948 61.4-166.6-139.6 113.1 7.4 -18.1 17.5 45 46 A K S S- 0 0 129 -2,-0.4 2,-0.3 -3,-0.2 -4,-0.1 0.715 71.0 -22.6 -70.1 -30.1 3.9 -19.4 18.3 46 47 A N S > S- 0 0 66 1,-0.1 4,-1.9 -5,-0.1 5,-0.1 -0.965 79.3 -75.4-164.9-176.7 2.7 -19.1 14.8 47 48 A K H > S+ 0 0 71 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.890 123.6 56.7 -58.5 -43.1 3.2 -17.5 11.4 48 49 A R H > S+ 0 0 142 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 107.9 47.2 -55.9 -44.9 1.7 -14.2 12.5 49 50 A A H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 111.4 53.1 -67.4 -36.6 4.3 -14.0 15.3 50 51 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.949 108.3 48.6 -64.7 -47.2 7.1 -14.9 12.9 51 52 A L H X S+ 0 0 10 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.894 109.7 52.0 -54.5 -47.9 6.1 -12.2 10.5 52 53 A D H X S+ 0 0 43 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.925 110.3 49.0 -57.3 -43.6 5.9 -9.6 13.3 53 54 A A H X S+ 0 0 30 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.885 111.8 49.4 -62.2 -38.8 9.5 -10.6 14.5 54 55 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.901 109.0 51.2 -69.6 -40.6 10.8 -10.3 10.9 55 56 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 43,-0.2 -2,-0.2 0.955 112.0 47.8 -61.3 -43.5 9.2 -6.9 10.3 56 57 A I H X S+ 0 0 15 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.902 110.1 52.2 -64.9 -41.0 10.8 -5.6 13.6 57 58 A E H X S+ 0 0 33 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.911 106.1 53.0 -60.1 -40.6 14.2 -7.0 12.7 58 59 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.5 0.910 112.2 46.1 -63.2 -38.6 14.2 -5.3 9.3 59 60 A L H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.938 109.1 54.6 -65.8 -40.5 13.5 -2.0 11.0 60 61 A D H < S+ 0 0 74 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.869 117.4 37.7 -61.8 -31.8 16.2 -2.6 13.6 61 62 A R H < S+ 0 0 103 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.857 134.6 13.8 -83.3 -38.6 18.7 -3.2 10.8 62 63 A H H < S+ 0 0 71 -4,-2.4 2,-2.0 -5,-0.2 3,-0.2 0.581 92.8 93.9-126.0 -11.7 17.7 -0.6 8.2 63 64 A H >< + 0 0 11 -4,-2.3 3,-1.1 -5,-0.5 22,-0.1 -0.539 42.9 161.3 -88.3 78.1 15.3 2.0 9.6 64 65 A T T 3 S+ 0 0 109 -2,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.791 70.7 48.6 -71.7 -25.4 18.0 4.5 10.4 65 66 A H T 3 + 0 0 49 15,-0.3 -1,-0.2 -3,-0.2 20,-0.1 -0.063 69.2 123.2-108.0 25.3 15.6 7.5 10.6 66 67 A F S < S+ 0 0 23 -3,-1.1 -1,-0.2 -7,-0.1 -2,-0.1 0.915 76.7 42.5 -42.9 -50.6 13.0 5.8 12.9 67 68 A S S S- 0 0 45 -3,-0.4 45,-0.1 1,-0.1 44,-0.1 -0.799 100.1 -98.2-104.5 149.4 13.4 8.7 15.4 68 69 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.322 36.5-134.4 -55.6 147.3 13.7 12.4 14.7 69 70 A L > - 0 0 101 4,-0.1 3,-3.2 -4,-0.1 2,-0.1 -0.866 32.3 -87.7-105.0 131.1 17.3 13.8 14.6 70 71 A E T 3 S+ 0 0 182 -2,-0.4 3,-0.1 1,-0.3 0, 0.0 -0.546 109.8 9.8 -66.8 142.9 18.2 17.0 16.4 71 72 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 -0.308 90.2 137.0-109.2 66.8 17.9 19.6 14.9 72 73 A E < - 0 0 27 -3,-3.2 -1,-0.2 1,-0.1 2,-0.1 -0.416 54.8-115.9 -62.5 143.4 16.0 18.4 11.8 73 74 A S > - 0 0 42 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.444 30.1-113.7 -67.4 153.9 13.0 20.4 10.4 74 75 A W H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.870 118.8 55.6 -58.3 -35.4 9.8 18.4 10.6 75 76 A Q H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 109.9 44.2 -65.8 -42.7 9.8 18.3 6.8 76 77 A D H > S+ 0 0 85 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.894 112.2 52.9 -67.8 -38.7 13.2 16.7 6.7 77 78 A F H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.949 111.3 45.9 -59.0 -47.5 12.3 14.3 9.5 78 79 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.914 116.0 46.1 -66.5 -41.6 9.2 13.1 7.6 79 80 A R H X S+ 0 0 71 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.937 116.6 43.9 -64.6 -46.6 11.1 12.7 4.3 80 81 A N H X S+ 0 0 45 -4,-3.0 4,-2.5 1,-0.2 -15,-0.3 0.854 112.6 52.4 -68.2 -40.6 14.1 10.9 5.9 81 82 A N H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.2 0.903 110.8 47.4 -59.1 -44.3 11.9 8.7 7.9 82 83 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 -2,-0.2 0.910 111.8 49.4 -64.1 -41.3 9.9 7.7 4.9 83 84 A K H X S+ 0 0 56 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.899 113.4 47.1 -63.3 -40.6 13.1 7.0 2.9 84 85 A S H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.891 111.9 50.3 -68.6 -44.6 14.5 4.9 5.8 85 86 A F H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.956 109.3 51.8 -59.1 -45.6 11.2 2.9 6.2 86 87 A R H X S+ 0 0 26 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.900 106.9 52.7 -55.7 -43.1 11.2 2.3 2.4 87 88 A N H X S+ 0 0 87 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.908 108.9 50.6 -64.9 -41.0 14.8 0.9 2.6 88 89 A A H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 4,-0.3 0.913 110.4 48.9 -59.9 -42.2 13.7 -1.5 5.4 89 90 A L H >< S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.3 7,-0.4 0.815 113.4 47.4 -68.1 -31.0 10.7 -2.7 3.4 90 91 A L H 3< S+ 0 0 60 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.525 87.9 90.6 -88.2 -3.4 13.0 -3.3 0.3 91 92 A S T << S+ 0 0 36 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 0.669 94.0 24.2 -67.8 -24.8 15.6 -5.1 2.3 92 93 A H S X S- 0 0 19 -3,-0.5 3,-1.9 -4,-0.3 4,-0.2 -0.962 97.4 -80.3-137.9 154.7 14.1 -8.6 1.8 93 94 A R T 3 S+ 0 0 120 -2,-0.3 -74,-0.1 1,-0.3 -75,-0.1 -0.255 117.1 1.9 -48.9 130.1 11.9 -10.4 -0.7 94 95 A D T 3> S+ 0 0 21 1,-0.1 4,-2.2 3,-0.1 3,-0.4 0.746 87.3 151.7 58.3 28.9 8.2 -9.5 0.0 95 96 A G H <> + 0 0 0 -3,-1.9 4,-2.0 -6,-0.3 -5,-0.2 0.861 65.9 50.1 -64.4 -38.8 9.3 -7.3 2.8 96 97 A A H > S+ 0 0 0 -7,-0.4 4,-1.4 -4,-0.2 -1,-0.3 0.876 108.6 52.3 -70.1 -32.5 6.4 -4.9 2.6 97 98 A K H 4 S+ 0 0 60 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.849 108.7 54.1 -61.9 -39.4 3.9 -7.9 2.7 98 99 A V H < S+ 0 0 1 -4,-2.2 -43,-0.2 1,-0.2 -2,-0.2 0.901 108.9 48.7 -57.8 -42.8 5.8 -9.0 5.9 99 100 A H H >< S+ 0 0 11 -4,-2.0 3,-2.0 -5,-0.2 117,-0.3 0.777 82.9 109.8 -70.8 -26.7 5.3 -5.5 7.4 100 101 A L T 3< S+ 0 0 80 -4,-1.4 -45,-0.1 1,-0.3 -3,-0.0 -0.268 90.3 9.4 -53.6 130.8 1.5 -5.2 6.8 101 102 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 112,-0.1 -2,-0.1 0.355 89.0 156.8 85.3 -1.6 -0.5 -5.4 10.0 102 103 A T < - 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