==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 28-JUN-05 2A4D . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 VARIANT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.WALKER,G.V.AVVAKUMOV,S.XUE,E.M.NEWMAN,F.MACKENZIE,J.WEIG . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 65.5 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 . 25 18.0 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 . 10 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 20.9 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+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 0 1 0 0 1 0 0 0 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 . 3 0 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 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 82 A G 0 0 129 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -93.2 15.4 10.4 20.1 2 83 A V - 0 0 122 4,-0.0 2,-0.7 5,-0.0 35,-0.0 -0.681 360.0-169.0 -80.3 114.1 17.2 13.6 21.2 3 84 A K > - 0 0 123 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 -0.922 9.5-155.0-103.2 109.4 14.7 16.5 21.4 4 85 A V H > S+ 0 0 86 -2,-0.7 4,-3.2 1,-0.2 5,-0.3 0.889 87.8 47.1 -54.5 -52.8 16.7 19.7 21.8 5 86 A P H > S+ 0 0 91 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.936 116.3 46.6 -59.0 -44.8 14.2 22.0 23.6 6 87 A R H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.940 115.8 44.1 -58.3 -50.9 13.3 19.2 26.1 7 88 A N H X S+ 0 0 33 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.907 111.2 52.9 -68.4 -38.6 17.0 18.3 26.8 8 89 A F H X S+ 0 0 139 -4,-3.2 4,-2.2 -5,-0.2 -1,-0.2 0.938 111.5 48.2 -56.4 -49.1 18.1 21.9 27.0 9 90 A R H X S+ 0 0 45 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.930 110.8 48.8 -61.2 -44.4 15.4 22.5 29.6 10 91 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.869 109.8 52.3 -68.1 -33.0 16.2 19.4 31.7 11 92 A L H X S+ 0 0 92 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.889 108.2 51.2 -66.0 -39.5 19.9 20.3 31.7 12 93 A E H X S+ 0 0 114 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.942 111.9 47.6 -59.7 -45.8 19.0 23.8 33.0 13 94 A E H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.871 110.9 52.0 -61.9 -37.7 16.9 22.1 35.7 14 95 A L H X S+ 0 0 27 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.959 111.9 45.0 -62.6 -53.3 19.8 19.8 36.5 15 96 A E H >X S+ 0 0 136 -4,-2.8 3,-0.8 1,-0.2 4,-0.8 0.927 112.5 51.9 -56.8 -44.3 22.2 22.7 36.9 16 97 A E H >< S+ 0 0 85 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.910 107.6 53.0 -61.4 -40.3 19.7 24.7 39.0 17 98 A G H 3< S+ 0 0 18 -4,-2.3 11,-0.3 1,-0.2 -1,-0.2 0.732 101.2 60.9 -65.1 -22.3 19.2 21.6 41.3 18 99 A Q H << S+ 0 0 151 -4,-1.1 2,-0.3 -3,-0.8 -1,-0.2 0.693 105.5 51.8 -82.9 -18.9 23.0 21.4 41.9 19 100 A K S << S- 0 0 160 -3,-0.9 0, 0.0 -4,-0.8 0, 0.0 -0.771 109.5 -75.3-109.3 156.0 23.2 24.9 43.4 20 101 A G - 0 0 75 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.230 57.9-164.3 -47.5 145.6 21.0 26.4 46.3 21 102 A V > - 0 0 20 5,-0.2 3,-2.5 -4,-0.1 5,-0.3 -0.982 38.9 -33.0-139.5 143.8 17.5 27.2 45.0 22 103 A G T 3 S- 0 0 69 -2,-0.3 -2,-0.0 1,-0.3 89,-0.0 -0.169 125.0 -20.4 54.3-127.4 14.4 29.2 46.1 23 104 A D T 3 S- 0 0 117 -3,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.328 91.4-111.4 -96.1 6.8 14.2 29.1 49.9 24 105 A G S < S+ 0 0 48 -3,-2.5 -2,-0.1 2,-0.2 -4,-0.0 0.360 90.6 108.4 84.0 -1.5 16.4 26.0 50.2 25 106 A T S S+ 0 0 29 -4,-0.1 21,-2.8 20,-0.1 2,-0.3 0.486 73.7 44.7 -95.4 -1.6 13.6 23.7 51.5 26 107 A V E +A 45 0A 3 -5,-0.3 2,-0.3 19,-0.2 -5,-0.2 -0.975 64.2 175.8-131.3 152.0 13.1 21.6 48.3 27 108 A S E -A 44 0A 46 17,-2.1 17,-2.4 -2,-0.3 2,-0.3 -0.933 4.9-174.1-146.6 163.8 15.8 19.9 46.2 28 109 A W E +A 43 0A 15 -2,-0.3 2,-0.3 -11,-0.3 15,-0.2 -0.980 8.9 159.1-154.9 159.0 16.0 17.6 43.1 29 110 A G E -A 42 0A 23 13,-1.9 13,-2.7 -2,-0.3 2,-0.2 -0.964 49.7 -62.1-168.9 179.1 18.5 15.7 41.0 30 111 A L E -A 41 0A 25 -2,-0.3 11,-0.3 11,-0.2 3,-0.2 -0.505 34.3-142.3 -75.1 144.3 18.7 12.8 38.6 31 112 A E S S+ 0 0 80 9,-2.6 2,-0.5 1,-0.3 -1,-0.1 0.929 96.1 26.8 -69.6 -41.1 17.8 9.4 40.1 32 113 A D S > S- 0 0 52 8,-0.5 3,-2.0 3,-0.1 -1,-0.3 -0.981 74.2-148.2-127.3 116.2 20.6 7.8 38.1 33 114 A D T 3 S+ 0 0 135 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.529 98.8 54.1 -62.9 -7.7 23.6 9.9 37.2 34 115 A E T 3 S+ 0 0 152 1,-0.0 2,-1.7 3,-0.0 -1,-0.3 0.467 71.8 112.0-105.6 -9.1 24.0 7.9 33.9 35 116 A D X - 0 0 18 -3,-2.0 3,-1.8 1,-0.2 -3,-0.1 -0.525 44.5-176.9 -65.5 89.0 20.4 8.3 32.6 36 117 A M T 3 S+ 0 0 151 -2,-1.7 -1,-0.2 1,-0.3 -3,-0.0 0.639 75.2 69.5 -67.6 -13.6 21.3 10.5 29.6 37 118 A T T 3 S- 0 0 70 -3,-0.1 -1,-0.3 -35,-0.0 -2,-0.1 0.596 95.9-140.3 -79.1 -13.5 17.6 10.8 28.8 38 119 A L < + 0 0 11 -3,-1.8 26,-0.1 -6,-0.2 -2,-0.1 0.827 61.1 128.0 62.6 34.2 17.2 13.0 31.9 39 120 A T + 0 0 33 1,-0.2 25,-2.9 24,-0.1 2,-0.6 0.904 50.4 57.3 -92.6 -47.9 13.8 11.2 32.6 40 121 A R E + B 0 63A 80 23,-0.2 -9,-2.6 -8,-0.1 -8,-0.5 -0.817 64.4 176.6 -97.2 121.2 13.8 9.9 36.1 41 122 A W E -AB 30 62A 0 21,-3.1 21,-2.5 -2,-0.6 2,-0.5 -0.881 25.4-135.8-121.1 151.6 14.4 12.4 39.0 42 123 A T E -AB 29 61A 54 -13,-2.7 -13,-1.9 -2,-0.3 2,-0.3 -0.917 22.5-163.6 -99.4 130.3 14.4 12.3 42.8 43 124 A G E -AB 28 60A 0 17,-2.2 17,-2.0 -2,-0.5 2,-0.4 -0.830 2.7-165.7-105.7 155.2 12.6 15.1 44.6 44 125 A M E -AB 27 59A 52 -17,-2.4 -17,-2.1 -2,-0.3 2,-0.4 -0.997 6.1-170.8-140.8 139.6 13.0 16.1 48.2 45 126 A I E -AB 26 58A 0 13,-2.3 13,-2.4 -2,-0.4 2,-0.5 -0.996 23.4-133.1-128.3 129.3 10.9 18.2 50.5 46 127 A I E - B 0 57A 57 -21,-2.8 11,-0.2 -2,-0.4 8,-0.1 -0.700 39.3-109.7 -76.0 123.3 12.0 19.3 54.0 47 128 A G - 0 0 3 9,-3.0 8,-0.6 -2,-0.5 -1,-0.1 -0.271 42.6-107.4 -56.1 131.0 8.9 18.6 56.2 48 129 A P > - 0 0 0 0, 0.0 3,-0.8 0, 0.0 6,-0.3 -0.393 27.5-113.4 -70.0 139.0 7.5 22.1 57.2 49 130 A P T 3 S+ 0 0 77 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.188 100.4 31.1 -55.8 150.8 7.9 23.4 60.8 50 131 A R T 3 S+ 0 0 209 1,-0.2 2,-0.3 2,-0.1 77,-0.0 0.757 106.8 92.1 64.7 26.5 4.6 23.8 62.8 51 132 A T S X S- 0 0 14 -3,-0.8 3,-1.9 -4,-0.1 -1,-0.2 -0.935 93.4-103.8-138.1 168.1 3.1 20.9 60.9 52 133 A I T 3 S+ 0 0 71 75,-2.7 76,-0.1 -2,-0.3 79,-0.1 0.697 119.4 62.7 -61.6 -20.5 2.8 17.2 61.5 53 134 A Y T > S+ 0 0 0 -5,-0.2 3,-1.3 68,-0.2 -1,-0.3 0.461 76.0 130.0 -83.0 -7.3 5.5 16.8 58.8 54 135 A E T < S+ 0 0 76 -3,-1.9 3,-0.1 -6,-0.3 -7,-0.0 -0.193 70.8 15.5 -56.6 144.1 8.1 18.7 60.9 55 136 A N T 3 S+ 0 0 145 -8,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.680 105.5 104.8 65.0 20.1 11.5 17.1 61.3 56 137 A R < - 0 0 46 -3,-1.3 -9,-3.0 78,-0.0 2,-0.4 -0.907 60.8-142.5-122.6 154.2 10.9 14.6 58.5 57 138 A I E -B 46 0A 95 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.943 13.6-149.0-113.4 143.0 12.3 14.5 55.0 58 139 A Y E -B 45 0A 0 -13,-2.4 -13,-2.3 -2,-0.4 2,-0.3 -0.954 5.8-158.7-115.9 128.4 10.1 13.4 52.1 59 140 A S E -B 44 0A 45 -2,-0.5 19,-2.9 -15,-0.2 20,-1.5 -0.836 13.2-178.3-101.1 148.1 11.4 11.7 48.9 60 141 A L E -BC 43 77A 0 -17,-2.0 -17,-2.2 -2,-0.3 2,-0.4 -0.938 23.5-134.1-140.0 154.8 9.6 11.7 45.6 61 142 A K E -BC 42 76A 86 15,-3.1 15,-2.4 -2,-0.3 2,-0.4 -0.977 22.3-172.5-109.3 134.8 10.0 10.3 42.1 62 143 A I E -BC 41 75A 1 -21,-2.5 -21,-3.1 -2,-0.4 2,-0.5 -0.991 5.9-160.9-127.8 126.3 9.4 12.6 39.3 63 144 A E E -BC 40 74A 91 11,-2.6 11,-2.2 -2,-0.4 2,-0.7 -0.963 2.8-160.6-115.7 122.8 9.3 11.4 35.7 64 145 A C - 0 0 0 -25,-2.9 -2,-0.0 -2,-0.5 -54,-0.0 -0.921 22.3-157.4-104.8 106.9 9.7 13.9 32.8 65 146 A G > - 0 0 28 -2,-0.7 3,-1.7 7,-0.2 6,-0.1 -0.008 34.4 -79.5 -79.5-178.2 8.4 12.3 29.7 66 147 A P T 3 S+ 0 0 109 0, 0.0 -60,-0.1 0, 0.0 -1,-0.0 0.757 128.8 46.6 -48.5 -35.2 8.9 12.8 25.9 67 148 A K T >> S+ 0 0 159 5,-0.1 3,-2.4 2,-0.1 4,-0.8 0.447 90.0 156.0 -96.8 -3.4 6.6 15.8 25.8 68 149 A Y T <4 + 0 0 4 -3,-1.7 -58,-0.1 1,-0.3 -59,-0.1 -0.429 59.3 23.7 -63.0 141.7 8.0 17.5 28.9 69 150 A P T 34 S+ 0 0 12 0, 0.0 -1,-0.3 0, 0.0 39,-0.2 -0.908 124.0 54.7 -90.1 15.7 7.9 20.5 29.5 70 151 A E T <4 S+ 0 0 126 -3,-2.4 -2,-0.3 1,-0.1 36,-0.1 0.768 115.9 43.6 -76.8 -25.5 4.8 20.9 27.3 71 152 A A S < S- 0 0 35 -4,-0.8 -6,-0.1 -6,-0.1 -1,-0.1 -0.924 99.9-105.2-116.8 142.0 3.2 18.1 29.3 72 153 A P - 0 0 59 0, 0.0 -7,-0.2 0, 0.0 -5,-0.1 -0.282 37.4-107.8 -65.7 155.4 3.4 17.8 33.1 73 154 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.345 29.4-109.2 -76.2 157.7 5.7 15.3 34.9 74 155 A F E -C 63 0A 92 -11,-2.2 -11,-2.6 -2,-0.1 2,-0.4 -0.770 42.1-165.7 -85.7 132.8 4.4 12.1 36.6 75 156 A V E +C 62 0A 2 -2,-0.4 18,-2.7 18,-0.4 2,-0.4 -0.981 16.6 165.2-131.1 132.1 4.9 12.6 40.4 76 157 A R E -CD 61 92A 64 -15,-2.4 -15,-3.1 -2,-0.4 2,-0.3 -1.000 32.8-122.4-142.5 141.3 4.7 10.2 43.2 77 158 A F E -C 60 0A 0 14,-3.0 -17,-0.3 -2,-0.4 4,-0.1 -0.654 16.2-172.1 -72.6 140.2 5.8 10.2 46.8 78 159 A V S S+ 0 0 28 -19,-2.9 60,-3.4 -2,-0.3 -18,-0.2 0.840 71.8 73.0 -91.3 -51.6 8.2 7.5 47.9 79 160 A T B S-E 137 0B 18 -20,-1.5 58,-0.3 58,-0.2 55,-0.1 -0.418 100.4-106.2 -60.6 129.2 8.1 8.4 51.6 80 161 A K + 0 0 60 56,-3.3 2,-0.3 -2,-0.1 56,-0.2 -0.370 53.4 167.1 -64.1 137.3 4.7 7.2 53.0 81 162 A I - 0 0 0 6,-0.2 2,-0.6 7,-0.2 10,-0.2 -0.993 40.2-139.0-151.3 145.0 2.5 10.2 53.7 82 163 A N + 0 0 49 -2,-0.3 2,-0.3 47,-0.2 47,-0.1 -0.980 50.3 138.8-104.2 115.0 -1.1 11.1 54.5 83 164 A M > - 0 0 9 -2,-0.6 3,-1.9 3,-0.4 43,-0.1 -0.964 57.6-100.3-157.0 136.4 -1.8 14.2 52.4 84 165 A N T 3 S+ 0 0 65 -2,-0.3 3,-0.1 1,-0.3 42,-0.0 -0.329 110.0 26.9 -57.4 135.8 -4.8 15.4 50.3 85 166 A G T 3 S+ 0 0 21 1,-0.2 9,-2.8 8,-0.1 2,-0.4 0.375 104.1 98.1 89.5 -3.1 -4.2 14.8 46.6 86 167 A V B < S-F 93 0C 18 -3,-1.9 2,-0.5 7,-0.2 -3,-0.4 -0.971 78.3-120.1-119.0 134.8 -1.9 11.8 47.2 87 168 A N >> - 0 0 72 5,-2.6 4,-2.7 -2,-0.4 3,-0.6 -0.540 19.4-150.3 -72.0 121.2 -3.0 8.1 47.2 88 169 A S T 34 S+ 0 0 56 -2,-0.5 -7,-0.2 1,-0.2 -1,-0.2 0.750 91.6 48.4 -68.4 -21.1 -2.2 6.8 50.6 89 170 A S T 34 S+ 0 0 94 1,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.668 130.3 12.9 -92.5 -17.3 -1.6 3.2 49.4 90 171 A N T <4 S- 0 0 60 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.470 90.6-122.2-138.2 -5.5 0.9 4.0 46.5 91 172 A G < + 0 0 0 -4,-2.7 -14,-3.0 1,-0.2 2,-0.1 0.359 53.5 153.3 82.4 -5.8 2.0 7.6 46.8 92 173 A V B -D 76 0A 38 -16,-0.3 -5,-2.6 -6,-0.1 2,-0.6 -0.380 42.1-133.3 -63.4 130.3 0.8 8.7 43.4 93 174 A V B -F 86 0C 4 -18,-2.7 -18,-0.4 -7,-0.2 -7,-0.2 -0.756 17.5-130.0 -84.3 120.1 0.0 12.4 43.3 94 175 A D >> - 0 0 46 -9,-2.8 3,-1.6 -2,-0.6 4,-0.6 -0.621 9.8-150.7 -71.4 111.5 -3.3 13.1 41.5 95 176 A P G >4 S+ 0 0 65 0, 0.0 3,-0.9 0, 0.0 7,-0.8 0.813 94.5 58.4 -53.6 -34.4 -2.8 15.8 38.9 96 177 A R G 34 S+ 0 0 208 1,-0.2 -2,-0.0 5,-0.1 6,-0.0 0.785 103.5 54.2 -67.8 -26.0 -6.4 17.0 39.2 97 178 A A G <4 S+ 0 0 52 -3,-1.6 2,-0.6 -12,-0.2 -1,-0.2 0.613 99.2 67.2 -83.2 -15.2 -5.8 17.7 42.9 98 179 A I S XX S- 0 0 2 -3,-0.9 4,-3.3 -4,-0.6 3,-1.2 -0.944 72.9-147.2-117.3 117.5 -2.7 19.9 42.4 99 180 A S H 3> S+ 0 0 64 -2,-0.6 4,-3.0 1,-0.3 -1,-0.2 0.875 97.8 49.5 -52.1 -49.5 -3.2 23.2 40.7 100 181 A V H 34 S+ 0 0 10 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.736 118.7 40.2 -66.6 -22.9 0.2 23.4 39.0 101 182 A L H X4 S+ 0 0 8 -3,-1.2 3,-1.2 -6,-0.2 -2,-0.2 0.877 117.2 46.4 -86.7 -45.8 -0.3 19.8 37.6 102 183 A A H 3< S+ 0 0 55 -4,-3.3 -2,-0.2 -7,-0.8 -3,-0.2 0.898 127.0 31.5 -57.9 -42.1 -4.0 20.1 36.7 103 184 A K T 3< S- 0 0 141 -4,-3.0 -1,-0.3 -5,-0.4 -2,-0.1 -0.384 91.4-178.0-114.6 53.0 -3.3 23.5 35.1 104 185 A W < - 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