==== 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 RECOMBINATION 30-MAR-09 3GUV . COMPND 2 MOLECULE: SITE-SPECIFIC RECOMBINASE, RESOLVASE FAMILY PROTE . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,J.DO,P.SAMPATHKUMAR,S.WASSERM . 149 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 43.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A K 0 0 161 0, 0.0 2,-0.2 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 148.7 15.5 -16.7 11.5 2 6 A I - 0 0 75 34,-0.4 36,-2.9 1,-0.1 2,-0.4 -0.502 360.0-137.4 -63.9 129.4 15.1 -13.6 9.3 3 7 A K E +a 38 0A 70 69,-0.4 71,-3.2 34,-0.2 72,-1.4 -0.795 26.4 177.5 -95.8 137.1 18.4 -11.6 9.5 4 8 A V E -ab 39 75A 0 34,-2.7 36,-2.9 -2,-0.4 37,-0.7 -0.912 24.7-140.5-136.4 155.5 18.4 -7.8 9.8 5 9 A Y E -ab 41 76A 1 70,-2.0 72,-2.7 -2,-0.3 2,-0.4 -0.904 20.8-138.6-103.6 145.6 20.8 -4.8 10.2 6 10 A L E -ab 42 77A 3 35,-2.5 37,-2.5 -2,-0.4 2,-0.4 -0.900 18.4-168.8 -99.2 135.4 19.9 -1.9 12.5 7 11 A Y E +a 43 0A 0 70,-2.7 72,-0.4 -2,-0.4 2,-0.3 -0.991 11.0 167.5-126.2 127.6 20.6 1.6 11.3 8 12 A T E +a 44 0A 6 35,-2.2 37,-2.1 -2,-0.4 2,-0.3 -0.937 1.9 156.2-133.2 158.2 20.5 4.7 13.5 9 13 A R E -a 45 0A 21 -2,-0.3 2,-0.3 35,-0.2 37,-0.2 -0.974 33.4-121.8-163.3 167.9 21.7 8.4 13.1 10 14 A V - 0 0 1 35,-1.6 37,-0.1 -2,-0.3 4,-0.1 -0.821 16.6-141.9-108.6 159.8 21.2 12.0 14.3 11 15 A S S S+ 0 0 43 -2,-0.3 43,-1.3 2,-0.2 -1,-0.1 0.806 91.8 9.3 -84.2 -42.5 20.3 14.8 11.8 12 16 A T S S- 0 0 42 1,-0.3 42,-0.4 41,-0.3 2,-0.3 0.639 119.6 -36.4-103.6-100.0 22.4 17.4 13.4 13 17 A S >> - 0 0 17 40,-0.1 4,-2.5 41,-0.1 3,-0.7 -0.880 42.8-114.8-130.7 161.8 24.9 16.4 16.2 14 18 A I H 3> S+ 0 0 65 33,-2.5 4,-1.8 -2,-0.3 5,-0.4 0.793 114.0 64.4 -61.7 -31.6 25.2 14.0 19.1 15 19 A Q H 34 S+ 0 0 176 32,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.843 114.8 28.5 -52.1 -44.6 25.3 17.1 21.4 16 20 A I H <4 S+ 0 0 108 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.817 140.5 17.3 -90.6 -37.5 21.8 18.0 20.4 17 21 A E H >< S+ 0 0 27 -4,-2.5 3,-1.7 29,-0.1 4,-0.3 0.520 92.8 96.6-119.6 -13.2 20.2 14.7 19.6 18 22 A G G >X S+ 0 0 4 -4,-1.8 3,-2.6 -5,-0.4 4,-0.7 0.861 74.3 70.1 -50.6 -41.0 22.4 11.9 21.1 19 23 A Y G 34 S+ 0 0 189 -5,-0.4 4,-0.4 1,-0.3 -1,-0.3 0.694 101.0 43.6 -56.9 -26.3 20.3 11.6 24.2 20 24 A S G <> S+ 0 0 32 -3,-1.7 4,-1.6 1,-0.1 -1,-0.3 0.384 91.8 84.7-102.3 5.4 17.4 10.0 22.3 21 25 A L H <> S+ 0 0 3 -3,-2.6 4,-2.9 -4,-0.3 -2,-0.2 0.887 90.2 49.7 -69.4 -42.1 19.6 7.6 20.2 22 26 A E H X S+ 0 0 95 -4,-0.7 4,-2.5 2,-0.2 5,-0.2 0.857 108.1 52.2 -72.1 -35.8 19.7 5.0 22.9 23 27 A A H > S+ 0 0 65 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.899 112.8 48.2 -60.1 -39.8 15.9 5.2 23.4 24 28 A Q H X S+ 0 0 11 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.964 112.0 47.3 -61.5 -52.5 15.6 4.6 19.6 25 29 A K H X S+ 0 0 50 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.879 111.2 51.0 -57.1 -47.6 18.1 1.7 19.7 26 30 A S H X S+ 0 0 78 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.886 111.1 49.5 -55.7 -44.1 16.4 -0.0 22.6 27 31 A R H X S+ 0 0 118 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.894 111.3 48.0 -59.2 -47.8 13.1 0.3 20.9 28 32 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.922 111.8 49.5 -64.8 -40.0 14.5 -1.2 17.7 29 33 A K H X S+ 0 0 82 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.929 109.9 51.8 -64.8 -42.1 16.1 -4.1 19.6 30 34 A A H X S+ 0 0 54 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.933 110.3 49.2 -56.2 -47.7 12.8 -4.8 21.4 31 35 A F H X S+ 0 0 55 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.877 108.8 52.1 -57.9 -45.6 11.1 -4.9 18.0 32 36 A A H <>S+ 0 0 2 -4,-2.4 5,-2.5 2,-0.2 4,-0.2 0.955 113.0 46.0 -54.0 -51.1 13.7 -7.2 16.7 33 37 A I H ><5S+ 0 0 131 -4,-2.7 3,-2.5 1,-0.2 -2,-0.2 0.981 111.7 48.2 -56.4 -64.1 13.1 -9.5 19.7 34 38 A Y H 3<5S+ 0 0 86 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.789 115.9 46.5 -48.5 -33.1 9.2 -9.5 19.5 35 39 A N T 3<5S- 0 0 74 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.332 111.1-120.8 -94.0 3.7 9.4 -10.2 15.7 36 40 A D T < 5 + 0 0 101 -3,-2.5 -34,-0.4 -4,-0.2 -3,-0.2 0.814 56.5 157.6 59.8 35.8 12.0 -13.0 16.2 37 41 A Y < - 0 0 36 -5,-2.5 2,-0.5 -6,-0.2 -34,-0.2 -0.526 39.4-133.1 -83.2 156.9 14.6 -11.3 13.9 38 42 A E E -a 3 0A 84 -36,-2.9 -34,-2.7 -2,-0.2 2,-0.5 -0.965 16.0-143.4-113.3 118.1 18.3 -12.0 14.1 39 43 A I E +a 4 0A 52 -2,-0.5 -34,-0.2 -36,-0.2 3,-0.1 -0.705 26.7 168.1 -85.2 127.7 20.4 -8.9 14.2 40 44 A V E + 0 0 45 -36,-2.9 2,-0.2 -2,-0.5 -35,-0.2 0.241 64.2 16.1-123.7 9.0 23.7 -9.4 12.3 41 45 A G E -a 5 0A 18 -37,-0.7 -35,-2.5 2,-0.0 2,-0.4 -0.864 52.9-158.7-179.2 142.2 24.9 -5.8 12.1 42 46 A E E -a 6 0A 105 -2,-0.2 2,-0.4 -37,-0.2 -35,-0.2 -1.000 14.0-175.3-131.5 127.7 24.4 -2.4 13.7 43 47 A Y E -a 7 0A 18 -37,-2.5 -35,-2.2 -2,-0.4 2,-0.4 -0.964 3.3-177.6-127.4 140.8 25.4 0.8 11.9 44 48 A E E -a 8 0A 47 -2,-0.4 2,-0.8 -37,-0.2 -35,-0.2 -0.976 27.0-165.9-147.9 122.4 25.3 4.3 13.3 45 49 A D E +a 9 0A 4 -37,-2.1 -35,-1.6 -2,-0.4 9,-0.1 -0.853 27.9 173.8-100.1 88.6 26.0 7.9 12.1 46 50 A A - 0 0 6 -2,-0.8 -29,-0.1 -37,-0.2 -1,-0.1 0.539 44.4-115.5 -91.4 -4.5 26.0 9.3 15.6 47 51 A G + 0 0 3 -34,-0.2 -33,-2.5 -37,-0.1 -32,-0.4 0.890 66.1 142.6 78.5 41.1 27.1 12.9 14.9 48 52 A K + 0 0 149 -35,-0.2 2,-0.1 -34,-0.1 -35,-0.1 0.489 42.9 90.6 -93.1 -11.1 30.3 12.6 16.9 49 53 A S S S- 0 0 63 1,-0.1 -35,-0.2 2,-0.1 5,-0.0 -0.369 91.7-104.8 -77.9 169.7 32.4 14.7 14.4 50 54 A G S S+ 0 0 95 -2,-0.1 2,-0.2 -37,-0.1 -1,-0.1 0.201 82.2 106.0 -89.8 15.4 32.8 18.5 14.9 51 55 A K S S- 0 0 104 2,-0.1 -2,-0.1 -39,-0.1 4,-0.0 -0.552 74.0-119.2 -96.5 163.0 30.4 19.6 12.1 52 56 A S S S+ 0 0 75 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.915 96.7 36.6 -65.2 -50.9 26.9 21.1 12.3 53 57 A I S S- 0 0 107 -40,-0.0 -41,-0.3 -43,-0.0 2,-0.1 -0.868 88.8-116.0-110.9 139.0 25.0 18.4 10.3 54 58 A E - 0 0 26 -43,-1.3 -41,-0.1 -2,-0.4 -2,-0.0 -0.456 27.7-139.6 -79.0 147.1 25.8 14.7 10.4 55 59 A G - 0 0 18 -2,-0.1 -1,-0.1 -4,-0.0 -10,-0.1 0.278 15.7-113.0 -86.0-149.1 27.1 12.7 7.4 56 60 A R > + 0 0 51 2,-0.1 4,-2.3 -47,-0.0 5,-0.1 0.117 63.6 124.6-145.9 17.9 26.4 9.3 5.9 57 61 A I H > S+ 0 0 110 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.852 81.4 40.4 -60.6 -47.4 29.6 7.2 6.3 58 62 A Q H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.849 113.5 56.3 -75.1 -33.1 28.3 4.2 8.2 59 63 A F H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.917 109.5 46.4 -59.3 -41.2 25.2 4.3 6.1 60 64 A N H X S+ 0 0 80 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.928 110.6 51.4 -70.3 -43.3 27.5 4.0 3.0 61 65 A R H X S+ 0 0 137 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.936 109.7 52.5 -53.5 -44.8 29.4 1.2 4.7 62 66 A M H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.933 106.4 51.8 -58.0 -48.7 26.0 -0.5 5.3 63 67 A M H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.858 108.8 50.2 -60.8 -37.2 25.0 -0.2 1.6 64 68 A E H X S+ 0 0 96 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.883 109.7 51.4 -63.5 -39.1 28.3 -1.8 0.4 65 69 A D H < S+ 0 0 26 -4,-2.0 4,-0.5 -5,-0.2 5,-0.4 0.831 111.9 48.2 -66.1 -28.8 27.8 -4.7 2.9 66 70 A I H >< S+ 0 0 5 -4,-1.7 3,-0.9 2,-0.2 -2,-0.2 0.925 110.4 49.6 -75.6 -46.0 24.2 -5.1 1.4 67 71 A K H 3< S+ 0 0 83 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.907 110.7 52.1 -59.6 -42.5 25.5 -5.1 -2.2 68 72 A S T 3< S- 0 0 75 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.587 98.9-135.8 -72.4 -16.3 28.1 -7.7 -1.2 69 73 A G X + 0 0 49 -3,-0.9 3,-1.5 -4,-0.5 -3,-0.1 0.438 51.0 151.3 73.5 -5.2 25.6 -10.1 0.3 70 74 A K T 3 S+ 0 0 134 -5,-0.4 -4,-0.1 1,-0.3 -1,-0.1 0.699 72.9 20.0 -13.9 -62.1 28.0 -10.6 3.2 71 75 A D T 3 S- 0 0 49 -6,-0.4 -1,-0.3 2,-0.0 -5,-0.1 0.423 97.5-121.5-110.4 -4.0 25.5 -11.4 6.0 72 76 A G < - 0 0 52 -3,-1.5 -69,-0.4 1,-0.2 2,-0.2 0.878 43.6-177.7 60.0 44.5 22.4 -12.5 4.0 73 77 A V - 0 0 16 1,-0.1 -69,-0.2 -71,-0.1 -1,-0.2 -0.492 25.7-170.2 -76.3 137.5 20.1 -9.8 5.5 74 78 A S S S+ 0 0 43 -71,-3.2 30,-2.5 -2,-0.2 2,-0.3 0.700 71.2 23.7 -90.9 -29.7 16.4 -9.6 4.6 75 79 A F E -bc 4 104A 21 -72,-1.4 -70,-2.0 28,-0.2 2,-0.5 -0.970 54.1-146.9-136.0 150.9 15.7 -6.1 6.2 76 80 A V E -bc 5 105A 0 28,-2.4 30,-2.6 -2,-0.3 2,-0.6 -0.994 26.2-150.6-102.6 126.9 17.2 -2.8 7.4 77 81 A L E +bc 6 106A 0 -72,-2.7 -70,-2.7 -2,-0.5 2,-0.3 -0.892 18.9 175.8 -95.4 125.8 15.4 -1.5 10.5 78 82 A V E - c 0 107A 0 28,-2.7 30,-3.0 -2,-0.6 31,-0.2 -0.795 38.0-124.3-115.1 160.8 15.4 2.3 10.9 79 83 A F S S- 0 0 16 -72,-0.4 30,-3.7 4,-0.4 31,-0.7 0.962 87.9 -29.4 -69.5 -49.9 13.5 4.2 13.7 80 84 A K > - 0 0 50 29,-0.2 3,-2.3 28,-0.2 -1,-0.4 -0.959 68.8 -94.2-158.0 165.9 11.6 6.3 11.1 81 85 A L G >> S+ 0 0 36 1,-0.3 4,-2.8 -2,-0.3 3,-1.0 0.838 120.8 59.9 -55.1 -41.8 12.2 7.6 7.5 82 86 A S G 34 S+ 0 0 63 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.424 102.0 56.8 -66.3 -0.0 13.6 11.0 8.7 83 87 A R G <4 S+ 0 0 40 -3,-2.3 -4,-0.4 -76,-0.0 -1,-0.3 -0.322 117.8 32.5-120.7 48.4 16.3 8.9 10.5 84 88 A F T <4 S+ 0 0 0 -3,-1.0 2,-0.3 1,-0.5 -2,-0.2 0.261 117.1 34.4-166.0 -51.7 17.3 7.3 7.2 85 89 A A < - 0 0 15 -4,-2.8 -1,-0.5 1,-0.1 3,-0.1 -0.837 54.4-143.4-128.1 164.2 16.8 9.7 4.3 86 90 A R S S- 0 0 83 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.592 82.9 -10.3-102.5 -17.3 17.1 13.5 3.6 87 91 A N S > S- 0 0 70 1,-0.1 4,-1.7 0, 0.0 -1,-0.2 -0.931 81.1 -85.7-167.5 178.0 14.2 13.9 1.1 88 92 A A H > S+ 0 0 10 -2,-0.3 4,-2.4 2,-0.2 41,-0.2 0.844 123.4 55.4 -68.3 -37.3 11.7 11.7 -0.9 89 93 A A H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 110.2 49.0 -65.1 -38.8 14.1 11.2 -3.9 90 94 A D H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.849 109.3 49.7 -57.4 -46.8 16.7 9.9 -1.4 91 95 A V H X S+ 0 0 8 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.931 114.0 48.5 -63.2 -40.8 14.3 7.5 0.2 92 96 A L H X S+ 0 0 14 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.930 112.4 42.9 -68.4 -50.9 13.3 6.2 -3.2 93 97 A S H X S+ 0 0 57 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.935 116.6 49.1 -66.2 -41.8 16.7 5.6 -4.7 94 98 A T H X S+ 0 0 10 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.925 112.2 48.4 -59.2 -49.0 18.0 4.0 -1.5 95 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.831 110.9 51.4 -59.6 -35.8 15.0 1.8 -1.3 96 100 A Q H X S+ 0 0 88 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.923 111.2 46.2 -71.1 -43.5 15.3 0.8 -4.9 97 101 A I H X S+ 0 0 71 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.925 113.0 51.1 -60.5 -49.7 19.0 -0.2 -4.6 98 102 A M H <>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 3,-0.3 0.932 113.2 43.6 -50.6 -54.9 18.3 -2.1 -1.4 99 103 A Q H ><5S+ 0 0 66 -4,-2.1 3,-2.1 3,-0.3 -1,-0.2 0.858 106.0 62.6 -66.5 -33.6 15.4 -4.1 -3.0 100 104 A D H 3<5S+ 0 0 133 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.901 108.9 44.0 -48.7 -44.8 17.7 -4.6 -6.1 101 105 A Y T 3<5S- 0 0 108 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.053 129.4 -97.7 -94.7 26.5 19.9 -6.5 -3.7 102 106 A G T < 5S+ 0 0 56 -3,-2.1 2,-0.4 1,-0.2 -3,-0.3 0.487 82.7 128.0 77.6 7.0 17.1 -8.4 -2.0 103 107 A V < - 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