==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/RNA 26-SEP-97 1AV6 . COMPND 2 MOLECULE: RNA (5'-R(*GP*AP*AP*AP*AP*A)-3'); . SOURCE 2 MOL_ID: 2; . AUTHOR A.E.HODEL,P.D.GERSHON,F.A.QUIOCHO . 290 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 6.9 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 . 1 0.3 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 . 22 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 0 0 0 0 1 1 0 1 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 2 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 PARALLEL BRIDGES PER LADDER . 2 0 1 1 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 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 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 3 A V 0 0 135 0, 0.0 2,-0.3 0, 0.0 240,-0.2 0.000 360.0 360.0 360.0 173.8 7.2 37.0 55.6 2 4 A V B -a 241 0A 35 238,-1.8 240,-2.0 2,-0.0 241,-0.6 -0.970 360.0-125.1-168.4 160.1 10.4 35.2 56.4 3 5 A S + 0 0 81 -2,-0.3 2,-0.4 238,-0.2 238,-0.1 -0.986 32.8 177.1-115.3 124.7 11.9 31.8 57.6 4 6 A L - 0 0 38 -2,-0.5 239,-0.1 1,-0.1 -2,-0.0 -0.976 30.9-152.6-131.6 147.1 14.2 31.9 60.6 5 7 A D S S- 0 0 161 1,-0.4 -1,-0.1 -2,-0.4 0, 0.0 0.895 85.5 -15.4 -78.8 -45.1 16.0 29.2 62.5 6 8 A K S S- 0 0 95 252,-0.0 -1,-0.4 0, 0.0 249,-0.1 -0.981 75.4-104.1-158.5 147.5 16.0 31.3 65.7 7 9 A P - 0 0 1 0, 0.0 2,-0.8 0, 0.0 245,-0.0 -0.338 48.5 -87.5 -74.9 162.9 15.5 34.9 66.6 8 10 A F + 0 0 26 1,-0.2 3,-0.1 224,-0.0 6,-0.1 -0.620 50.0 174.3 -70.0 105.1 18.4 37.3 67.5 9 11 A M + 0 0 22 -2,-0.8 181,-3.0 1,-0.2 2,-0.4 0.914 63.9 33.9 -80.1 -50.5 18.8 36.7 71.2 10 12 A Y B > S-B 189 0B 42 179,-0.2 3,-2.9 1,-0.1 -1,-0.2 -0.923 82.5-121.7-114.5 135.4 21.9 38.8 71.9 11 13 A F G > S+ 0 0 7 177,-2.3 3,-2.7 -2,-0.4 -1,-0.1 0.789 106.7 69.1 -34.7 -48.0 22.8 42.1 70.2 12 14 A E G 3 S+ 0 0 104 1,-0.3 -1,-0.3 176,-0.2 -4,-0.0 0.729 93.8 61.4 -50.3 -24.7 26.1 40.8 68.9 13 15 A E G < + 0 0 80 -3,-2.9 2,-0.9 2,-0.0 -1,-0.3 0.453 66.9 117.8 -84.4 -7.1 24.1 38.5 66.6 14 16 A I < - 0 0 4 -3,-2.7 217,-0.0 -4,-0.2 218,-0.0 -0.547 49.2-164.3 -65.7 105.8 22.3 41.1 64.6 15 17 A D + 0 0 116 -2,-0.9 2,-0.3 213,-0.0 -1,-0.2 0.614 60.0 40.3 -70.1 -17.5 23.7 40.4 61.1 16 18 A N - 0 0 90 212,-0.1 2,-0.3 211,-0.0 216,-0.2 -0.839 62.1-150.4-131.2 169.1 22.8 43.6 59.3 17 19 A E - 0 0 106 -2,-0.3 2,-0.4 214,-0.1 211,-0.3 -0.958 4.5-167.3-137.6 154.8 22.7 47.4 59.8 18 20 A L - 0 0 52 209,-2.5 213,-0.3 -2,-0.3 212,-0.2 -0.984 31.5-111.5-146.2 129.2 20.5 50.2 58.5 19 21 A D - 0 0 96 -2,-0.4 208,-0.1 1,-0.1 204,-0.0 -0.406 48.9 -99.6 -63.2 127.7 21.2 53.9 58.8 20 22 A Y - 0 0 90 -2,-0.1 -1,-0.1 1,-0.1 207,-0.1 -0.190 28.5-150.6 -49.8 132.7 18.5 55.4 61.1 21 23 A E > - 0 0 73 1,-0.1 3,-1.8 -3,-0.1 4,-0.3 -0.952 4.9-151.9-107.2 114.2 15.6 57.2 59.4 22 24 A P G > S+ 0 0 86 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.779 90.2 73.2 -58.4 -23.2 14.4 59.9 61.7 23 25 A E G > S+ 0 0 116 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.731 78.4 81.5 -62.5 -21.7 10.8 59.6 60.3 24 26 A S G X S+ 0 0 2 -3,-1.8 3,-2.8 1,-0.3 -1,-0.3 0.867 78.0 65.0 -49.9 -45.3 10.6 56.4 62.2 25 27 A A G < S+ 0 0 78 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.654 91.4 65.9 -57.5 -14.4 9.8 58.2 65.4 26 28 A N G < S+ 0 0 143 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.543 85.8 92.5 -85.4 -6.1 6.5 59.3 63.8 27 29 A E S < S- 0 0 96 -3,-2.8 2,-0.2 -4,-0.2 170,-0.1 -0.496 92.8 -92.7 -85.6 158.5 5.3 55.7 63.7 28 30 A V - 0 0 100 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.491 37.6-172.2 -69.1 138.2 3.2 54.1 66.5 29 31 A A + 0 0 40 1,-0.2 167,-1.8 -2,-0.2 2,-0.5 0.579 66.0 57.3-109.7 -15.7 5.5 52.4 69.0 30 32 A K + 0 0 121 165,-0.2 -1,-0.2 1,-0.1 164,-0.0 -0.976 49.1 168.3-123.9 113.8 3.1 50.6 71.2 31 33 A K + 0 0 144 -2,-0.5 -1,-0.1 1,-0.1 -3,-0.0 0.694 68.0 39.2 -94.9 -26.7 0.7 48.1 69.6 32 34 A L S > S- 0 0 26 161,-0.1 3,-1.0 257,-0.0 -1,-0.1 -0.939 90.7 -95.9-129.2 149.5 -0.7 46.4 72.7 33 35 A P T 3 S+ 0 0 60 0, 0.0 -2,-0.1 0, 0.0 254,-0.0 -0.317 106.4 10.3 -61.9 141.0 -1.7 47.6 76.2 34 36 A Y T 3> S+ 0 0 119 3,-0.1 4,-1.9 1,-0.1 5,-0.2 0.828 78.6 154.2 58.0 38.6 1.0 47.3 79.0 35 37 A Q H <> S+ 0 0 14 -3,-1.0 4,-3.2 1,-0.2 5,-0.2 0.931 70.2 49.9 -61.5 -47.9 3.6 46.5 76.4 36 38 A G H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 109.2 51.8 -57.0 -45.1 6.5 47.8 78.6 37 39 A Q H > S+ 0 0 21 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.857 113.0 45.8 -59.6 -39.4 5.2 45.8 81.6 38 40 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.936 110.5 52.7 -67.4 -48.5 5.2 42.7 79.4 39 41 A K H X S+ 0 0 18 -4,-3.2 4,-1.4 154,-0.4 -2,-0.2 0.858 111.8 47.3 -55.3 -39.6 8.7 43.5 77.9 40 42 A L H X S+ 0 0 10 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.890 108.6 53.7 -70.8 -41.0 10.0 43.8 81.5 41 43 A L H X S+ 0 0 0 -4,-1.8 4,-3.5 1,-0.2 5,-0.3 0.956 108.7 48.4 -59.0 -52.7 8.4 40.6 82.7 42 44 A L H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.847 113.1 46.6 -57.7 -42.0 9.9 38.4 79.9 43 45 A G H X S+ 0 0 6 -4,-1.4 4,-2.7 -5,-0.2 -1,-0.2 0.909 116.5 44.3 -69.4 -42.4 13.5 39.8 80.3 44 46 A E H X S+ 0 0 7 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.937 113.1 49.8 -68.6 -44.9 13.3 39.4 84.1 45 47 A L H X S+ 0 0 2 -4,-3.5 4,-1.2 -5,-0.2 -2,-0.2 0.954 114.6 47.6 -55.4 -50.7 11.8 35.9 83.9 46 48 A F H >X S+ 0 0 6 -4,-2.1 4,-1.6 -5,-0.3 3,-0.7 0.944 115.6 40.8 -55.5 -58.3 14.4 34.9 81.5 47 49 A F H 3X S+ 0 0 6 -4,-2.7 4,-1.7 1,-0.2 3,-0.3 0.933 115.1 52.6 -58.7 -46.9 17.5 36.3 83.4 48 50 A L H 3X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.676 107.3 52.7 -63.9 -21.2 16.1 35.1 86.7 49 51 A S H S+ 0 0 0 -4,-1.7 5,-2.6 2,-0.2 4,-0.8 0.892 110.2 48.1 -68.6 -48.0 20.0 32.4 87.8 52 54 A Q H ><5S+ 0 0 46 -4,-1.6 3,-2.3 1,-0.2 -2,-0.2 0.987 109.3 55.6 -57.2 -49.7 17.7 29.6 89.0 53 55 A R H 3<5S+ 0 0 106 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.766 111.7 43.3 -52.3 -33.6 19.5 27.3 86.5 54 56 A H H 3<5S- 0 0 122 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.522 115.2-114.2 -91.8 -8.3 22.8 28.2 88.2 55 57 A G T <<5S+ 0 0 66 -3,-2.3 -3,-0.2 -4,-0.8 -2,-0.1 0.831 85.1 115.2 78.0 35.5 21.6 28.0 91.8 56 58 A I < + 0 0 39 -5,-2.6 -4,-0.2 -8,-0.1 107,-0.1 0.511 60.6 66.8-110.9 -8.6 22.0 31.7 92.5 57 59 A L S > S+ 0 0 1 -6,-0.7 3,-1.3 -5,-0.1 2,-0.3 0.826 76.7 86.6 -85.4 -35.5 18.3 32.6 93.0 58 60 A D T 3 S+ 0 0 101 1,-0.2 29,-0.2 -7,-0.2 3,-0.1 -0.536 103.9 8.2 -74.4 129.5 17.4 30.7 96.2 59 61 A G T 3 S+ 0 0 31 27,-2.4 71,-0.5 -2,-0.3 -1,-0.2 0.401 102.9 129.3 83.9 -1.4 18.1 32.6 99.4 60 62 A A E < -cd 87 130B 1 -3,-1.3 28,-1.5 26,-0.7 2,-0.6 -0.393 57.3-133.4 -85.0 159.6 18.9 35.7 97.4 61 63 A T E -cd 88 131B 12 69,-2.8 71,-2.3 26,-0.2 2,-0.8 -0.968 16.4-148.3-114.4 114.5 17.6 39.2 97.9 62 64 A V E -cd 89 132B 0 26,-2.4 28,-2.5 -2,-0.6 2,-0.7 -0.773 10.2-164.0 -85.0 113.6 16.5 40.8 94.6 63 65 A V E -cd 90 133B 0 69,-2.6 71,-2.3 -2,-0.8 2,-0.7 -0.896 5.6-173.3-101.3 109.0 17.0 44.5 94.8 64 66 A Y E -cd 91 134B 0 26,-2.3 28,-2.3 -2,-0.7 2,-0.4 -0.931 2.8-171.0-107.5 104.8 15.1 46.2 92.1 65 67 A I E S+c 92 0B 0 69,-2.3 71,-0.5 -2,-0.7 28,-0.2 -0.840 74.6 28.5 -94.3 136.9 15.9 49.9 92.0 66 68 A G S S+ 0 0 0 26,-3.0 -1,-0.2 -2,-0.4 27,-0.2 0.934 81.2 148.9 73.3 53.8 13.7 52.0 89.7 67 69 A S + 0 0 0 25,-0.9 6,-0.2 -3,-0.4 26,-0.1 0.309 19.4 154.7-104.2 3.7 10.8 49.6 90.2 68 70 A A + 0 0 3 1,-0.3 29,-0.2 24,-0.1 28,-0.1 -0.693 69.5 0.0 -96.7 143.1 7.6 51.7 89.9 69 71 A P S S+ 0 0 57 0, 0.0 29,-2.9 0, 0.0 -1,-0.3 -0.990 80.3 176.0 -74.8 -17.8 4.8 51.0 89.1 70 72 A G >> + 0 0 0 27,-0.2 3,-2.6 -4,-0.1 4,-0.7 0.644 12.7 158.3 61.3 25.2 6.2 47.5 88.7 71 73 A T H >> S+ 0 0 16 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.824 73.8 53.1 -46.1 -40.8 2.8 45.9 87.9 72 74 A H H 3> S+ 0 0 0 1,-0.2 4,-1.4 220,-0.2 -1,-0.3 0.676 93.4 73.0 -70.5 -21.6 4.6 42.9 86.3 73 75 A I H <> S+ 0 0 2 -3,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.852 87.3 61.3 -65.6 -33.4 6.8 42.3 89.3 74 76 A R H S+ 0 0 3 -4,-1.8 5,-1.5 2,-0.2 4,-0.9 0.810 116.8 59.9 -64.1 -28.1 9.1 31.9 91.9 81 83 A Y H ><5S+ 0 0 139 -4,-1.7 3,-0.8 -5,-0.3 -2,-0.2 0.957 109.4 41.5 -63.1 -49.0 7.0 31.8 95.1 82 84 A N H 3<5S+ 0 0 99 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.706 108.4 62.4 -70.4 -22.8 4.9 29.0 93.6 83 85 A L H 3<5S- 0 0 40 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.716 117.8-111.9 -74.5 -23.4 8.0 27.4 92.2 84 86 A G T <<5 + 0 0 52 -4,-0.9 -3,-0.2 -3,-0.8 -2,-0.1 0.252 69.6 141.7 108.9 -7.9 9.3 26.9 95.8 85 87 A V < - 0 0 22 -5,-1.5 2,-0.6 -6,-0.2 -1,-0.3 -0.347 48.0-135.0 -70.2 141.9 12.2 29.4 95.5 86 88 A I + 0 0 89 -2,-0.1 -27,-2.4 2,-0.0 -26,-0.7 -0.893 38.0 157.1 -98.7 120.0 13.0 31.6 98.4 87 89 A I E -c 60 0B 12 -2,-0.6 2,-0.5 -29,-0.2 -26,-0.2 -0.977 31.5-149.2-141.1 151.4 13.6 35.2 97.4 88 90 A K E -c 61 0B 84 -28,-1.5 -26,-2.4 -2,-0.3 2,-0.4 -0.997 18.5-154.1-124.1 121.5 13.4 38.5 99.2 89 91 A W E -ce 62 107B 4 17,-2.9 19,-2.6 -2,-0.5 2,-0.5 -0.872 13.6-176.2-102.8 134.5 12.3 41.5 97.1 90 92 A M E -ce 63 108B 10 -28,-2.5 -26,-2.3 -2,-0.4 2,-0.7 -0.957 8.4-167.6-130.0 108.7 13.2 45.1 97.9 91 93 A L E -ce 64 109B 1 17,-2.8 19,-3.1 -2,-0.5 2,-0.5 -0.882 7.0-177.0-102.3 114.2 11.7 47.6 95.5 92 94 A I E +ce 65 110B 0 -28,-2.3 -26,-3.0 -2,-0.7 -25,-0.9 -0.951 21.2 127.3-116.9 130.5 13.1 51.1 95.7 93 95 A D E - e 0 111B 0 17,-2.1 19,-1.1 -2,-0.5 20,-0.2 -0.915 55.7-128.0-173.1 148.2 11.8 54.0 93.6 94 96 A G S S+ 0 0 21 17,-0.3 2,-0.2 -2,-0.3 19,-0.2 0.657 90.3 77.9 -78.5 -17.6 10.6 57.5 94.3 95 97 A R S S- 0 0 38 17,-0.1 17,-0.1 1,-0.1 2,-0.1 -0.658 97.3 -88.5 -92.1 152.8 7.4 56.9 92.3 96 98 A H - 0 0 136 -2,-0.2 2,-0.1 -28,-0.1 -1,-0.1 -0.325 38.8-132.6 -65.8 131.8 4.4 55.0 93.7 97 99 A H - 0 0 10 -29,-0.2 -27,-0.2 1,-0.1 -29,-0.1 -0.474 36.7 -83.9 -81.9 153.7 4.3 51.2 93.3 98 100 A D > - 0 0 36 -29,-2.9 3,-2.0 -2,-0.1 4,-0.2 -0.345 38.2-122.1 -58.3 130.8 1.2 49.3 92.1 99 101 A P G > S+ 0 0 80 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.715 104.9 75.9 -47.6 -26.6 -1.2 48.6 95.0 100 102 A I G 3 S+ 0 0 62 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.476 88.6 61.3 -68.4 1.1 -1.0 44.8 94.3 101 103 A L G X S+ 0 0 2 -3,-2.0 3,-1.0 -4,-0.1 -1,-0.3 0.469 80.3 113.1-102.8 -5.0 2.5 44.8 95.9 102 104 A N T < S+ 0 0 102 -3,-1.8 3,-0.1 1,-0.2 6,-0.1 -0.420 80.2 6.9 -74.7 140.8 1.2 46.0 99.3 103 105 A G T 3 S+ 0 0 86 1,-0.2 2,-0.7 -2,-0.1 -1,-0.2 0.523 80.7 150.1 71.1 5.9 1.4 43.8 102.4 104 106 A L X - 0 0 26 -3,-1.0 3,-2.0 1,-0.2 -1,-0.2 -0.645 45.1-142.5 -75.0 112.8 3.3 41.1 100.6 105 107 A R T 3 S+ 0 0 252 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.773 96.1 43.4 -45.1 -34.7 5.4 39.5 103.4 106 108 A D T 3 S+ 0 0 39 -18,-0.1 -17,-2.9 -3,-0.0 2,-0.4 0.288 100.9 74.4-101.7 6.9 8.4 39.0 101.1 107 109 A V E < -e 89 0B 14 -3,-2.0 2,-0.6 -19,-0.2 -17,-0.2 -0.978 61.3-155.0-122.4 137.4 8.5 42.3 99.2 108 110 A T E -e 90 0B 72 -19,-2.6 -17,-2.8 -2,-0.4 2,-0.6 -0.947 6.7-156.6-112.4 111.6 9.7 45.7 100.7 109 111 A L E -e 91 0B 56 -2,-0.6 2,-0.5 -19,-0.2 -17,-0.2 -0.810 14.2-176.3 -88.4 123.2 8.3 48.8 99.0 110 112 A V E -e 92 0B 22 -19,-3.1 -17,-2.1 -2,-0.6 2,-0.9 -0.972 16.6-151.6-125.8 115.8 10.7 51.7 99.6 111 113 A T E +e 93 0B 105 -2,-0.5 -17,-0.3 -19,-0.2 2,-0.2 -0.790 54.7 98.2 -88.0 106.1 9.7 55.2 98.4 112 114 A R S S- 0 0 127 -19,-1.1 2,-0.6 -2,-0.9 -17,-0.1 -0.835 71.4-110.5 176.7 143.9 13.0 57.0 97.7 113 115 A F - 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