==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 04-MAY-11 3AYC . COMPND 2 MOLECULE: GALECTIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.F.BIAN,D.F.LI,D.C.WANG . 270 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13409.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 78.9 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 . 138 51.1 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 . 10 3.7 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 . 47 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.7 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+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 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 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 . 2 2 2 2 4 6 2 0 2 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 2 0 0 2 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 1 116 A M 0 0 134 0, 0.0 124,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 32.5 -14.1 -9.2 -19.6 2 117 A P + 0 0 111 0, 0.0 2,-0.3 0, 0.0 120,-0.2 -0.311 360.0 162.6 -70.0 131.2 -13.4 -8.4 -15.9 3 118 A Y E -A 121 0A 144 118,-1.1 118,-3.0 -2,-0.1 2,-0.5 -0.964 28.2-141.1-147.0 135.7 -11.3 -9.5 -12.9 4 119 A N E -A 120 0A 61 -2,-0.3 116,-0.2 116,-0.2 114,-0.0 -0.897 5.8-159.6-107.6 123.1 -10.7 -7.2 -9.9 5 120 A L E -A 119 0A 15 114,-3.0 114,-2.4 -2,-0.5 2,-0.1 -0.870 21.7-140.0 -98.5 107.6 -7.3 -7.0 -8.1 6 121 A P E -A 118 0A 71 0, 0.0 112,-0.3 0, 0.0 111,-0.1 -0.403 9.0-157.2 -67.5 143.3 -7.9 -5.7 -4.6 7 122 A L > - 0 0 2 110,-2.8 3,-2.6 -2,-0.1 2,-0.1 -0.734 10.4-155.6-123.2 80.4 -5.3 -3.2 -3.4 8 123 A P T 3 S+ 0 0 97 0, 0.0 110,-0.0 0, 0.0 109,-0.0 -0.350 84.6 17.6 -57.1 126.8 -5.6 -3.2 0.5 9 124 A G T 3 S- 0 0 74 105,-0.1 107,-0.1 -2,-0.1 108,-0.1 0.290 118.5-110.5 91.7 -10.4 -4.3 0.1 1.8 10 125 A G < - 0 0 5 -3,-2.6 104,-0.2 107,-0.2 2,-0.2 -0.179 57.5 -28.8 79.9-175.1 -4.7 1.5 -1.6 11 126 A V + 0 0 2 102,-1.8 105,-0.2 105,-0.6 104,-0.0 -0.543 65.6 174.8 -76.4 141.1 -2.1 2.6 -4.1 12 127 A V > - 0 0 58 -2,-0.2 3,-1.8 102,-0.1 77,-0.2 -0.993 38.7 -84.8-147.4 147.8 1.2 3.8 -2.6 13 128 A P T 3 S+ 0 0 13 0, 0.0 77,-0.2 0, 0.0 3,-0.1 -0.216 113.7 29.2 -54.0 145.1 4.6 4.9 -4.1 14 129 A R T 3 S+ 0 0 149 75,-3.2 121,-2.7 1,-0.3 2,-0.3 0.330 84.5 137.3 84.5 -4.2 7.0 2.0 -4.8 15 130 A M E < -H 134 0B 5 -3,-1.8 74,-3.0 74,-0.2 2,-0.5 -0.600 37.6-162.7 -74.2 129.5 4.1 -0.3 -5.5 16 131 A L E -HI 133 88B 33 117,-3.6 117,-1.9 -2,-0.3 2,-0.4 -0.956 3.1-166.1-119.9 113.2 4.8 -2.5 -8.5 17 132 A I E -HI 132 87B 0 70,-2.9 70,-2.7 -2,-0.5 2,-0.4 -0.836 2.5-163.9-100.9 133.2 1.9 -4.2 -10.1 18 133 A T E -HI 131 86B 28 113,-2.9 113,-2.1 -2,-0.4 2,-0.5 -0.971 7.1-172.9-122.8 129.1 2.4 -7.0 -12.7 19 134 A I E -HI 130 85B 1 66,-2.9 66,-2.7 -2,-0.4 2,-0.4 -0.980 7.9-175.5-120.9 119.1 -0.2 -8.3 -15.1 20 135 A L E +HI 129 84B 59 109,-2.5 108,-2.5 -2,-0.5 109,-1.7 -0.910 25.5 109.3-114.8 143.1 0.7 -11.4 -17.1 21 136 A G E -HI 127 83B 4 62,-1.7 62,-2.9 -2,-0.4 2,-0.4 -0.980 56.7 -90.7 177.5-171.2 -1.4 -13.0 -19.8 22 137 A T E -HI 126 82B 45 104,-2.0 104,-2.8 -2,-0.3 2,-0.3 -0.990 33.9-119.5-130.4 136.5 -2.0 -13.6 -23.5 23 138 A V E -H 125 0B 1 58,-2.3 57,-1.2 -2,-0.4 102,-0.3 -0.570 36.0-118.2 -74.3 135.6 -3.9 -11.4 -26.0 24 139 A K > - 0 0 71 100,-2.5 3,-1.0 -2,-0.3 56,-0.5 -0.259 36.5 -88.1 -69.9 159.3 -6.8 -13.3 -27.5 25 140 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 54,-0.0 -0.415 113.8 13.2 -66.8 146.4 -7.0 -13.9 -31.3 26 141 A N T 3 S- 0 0 144 1,-0.1 -2,-0.1 -3,-0.1 22,-0.0 0.872 92.4-172.4 54.9 40.4 -8.6 -11.0 -33.1 27 142 A A < - 0 0 7 -3,-1.0 -1,-0.1 1,-0.1 52,-0.1 -0.283 21.8-176.4 -64.4 147.8 -8.4 -8.8 -30.0 28 143 A N - 0 0 111 1,-0.4 20,-1.9 20,-0.1 21,-0.7 0.673 61.6 -10.1-114.0 -34.4 -10.2 -5.5 -30.1 29 144 A R B -B 47 0A 87 18,-0.2 95,-3.4 19,-0.1 -1,-0.4 -0.995 43.1-156.9-163.0 164.3 -9.2 -4.0 -26.7 30 145 A I E -C 123 0A 1 16,-1.7 2,-0.3 -2,-0.3 93,-0.3 -0.961 19.3-167.5-141.2 148.7 -7.6 -4.4 -23.3 31 146 A A E -C 122 0A 0 91,-2.5 91,-2.9 -2,-0.3 2,-0.5 -0.969 16.1-171.9-150.6 132.0 -8.3 -2.2 -20.3 32 147 A L E -CD 121 44A 1 12,-2.2 12,-2.7 -2,-0.3 2,-0.5 -0.986 15.5-169.6-117.4 127.8 -6.8 -1.6 -16.9 33 148 A D E -CD 120 43A 24 87,-2.7 87,-3.1 -2,-0.5 2,-0.6 -0.924 12.5-160.0-126.8 108.7 -8.9 0.6 -14.5 34 149 A F E -CD 119 42A 1 8,-2.9 7,-1.4 -2,-0.5 8,-1.2 -0.765 27.9-153.8 -82.5 121.9 -7.5 1.9 -11.3 35 150 A Q E -CD 118 40A 45 83,-2.9 82,-1.0 -2,-0.6 83,-0.9 -0.833 29.2-178.8-112.1 140.2 -10.6 2.8 -9.3 36 151 A R E > - D 0 39A 45 3,-2.1 3,-2.2 -2,-0.4 2,-0.2 -0.875 69.6 -65.6-128.9 93.0 -11.3 5.2 -6.5 37 152 A G T 3 S- 0 0 62 -2,-0.4 -1,-0.1 78,-0.3 79,-0.0 -0.446 118.5 -13.4 63.7-125.4 -15.0 4.9 -5.6 38 153 A N T 3 S+ 0 0 134 -2,-0.2 -1,-0.3 -3,-0.1 26,-0.2 0.600 125.5 85.9 -83.1 -12.8 -17.1 6.0 -8.6 39 154 A D E < S-D 36 0A 23 -3,-2.2 -3,-2.1 24,-0.1 2,-0.6 -0.462 71.4-138.6 -88.6 160.2 -14.0 7.5 -10.2 40 155 A V E -DE 35 61A 11 21,-2.3 21,-2.3 -5,-0.2 -5,-0.2 -0.937 15.4-171.6-118.6 102.9 -11.4 5.9 -12.5 41 156 A A E S+ 0 0 2 -7,-1.4 2,-0.3 -2,-0.6 68,-0.3 0.889 75.7 10.4 -62.4 -41.6 -8.1 7.3 -11.4 42 157 A F E -D 34 0A 0 -8,-1.2 -8,-2.9 18,-0.1 2,-0.5 -0.918 62.4-172.3-149.6 117.0 -6.2 5.7 -14.3 43 158 A H E -DE 33 59A 16 16,-2.4 16,-1.5 -2,-0.3 2,-0.6 -0.955 5.6-169.1-109.7 116.5 -7.7 4.0 -17.3 44 159 A F E +DE 32 58A 2 -12,-2.7 -12,-2.2 -2,-0.5 14,-0.2 -0.955 14.2 177.1-109.4 112.1 -5.0 2.3 -19.5 45 160 A N E - E 0 57A 5 12,-2.7 12,-2.3 -2,-0.6 2,-0.3 -0.737 17.4-167.0-129.8 86.6 -6.7 1.3 -22.8 46 161 A P E - E 0 56A 0 0, 0.0 -16,-1.7 0, 0.0 2,-0.6 -0.547 12.8-161.6 -69.6 126.6 -4.9 -0.4 -25.7 47 162 A R E -BE 29 55A 63 8,-3.4 8,-2.1 -2,-0.3 3,-0.3 -0.957 9.9-163.4-114.3 117.8 -7.2 -0.3 -28.8 48 163 A F S S+ 0 0 16 -20,-1.9 2,-0.2 -2,-0.6 -19,-0.1 0.718 80.9 19.9 -72.9 -23.2 -6.2 -2.7 -31.5 49 164 A N + 0 0 98 -21,-0.7 2,-0.7 6,-0.1 -1,-0.2 -0.657 59.3 157.0-153.4 93.5 -8.3 -1.0 -34.2 50 165 A E S S- 0 0 49 3,-3.0 3,-0.5 -3,-0.3 -3,-0.0 -0.924 94.3 -29.7-115.0 99.8 -9.5 2.6 -34.0 51 166 A N S S- 0 0 147 -2,-0.7 -1,-0.1 1,-0.2 3,-0.1 0.914 125.4 -50.4 55.9 45.5 -10.0 3.6 -37.7 52 167 A N S S+ 0 0 141 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.755 119.8 106.7 63.8 29.7 -7.3 1.1 -38.7 53 168 A R - 0 0 156 -3,-0.5 -3,-3.0 2,-0.0 2,-0.4 -0.988 64.6-134.2-135.4 143.8 -4.8 2.5 -36.2 54 169 A R + 0 0 82 -2,-0.4 2,-0.3 -5,-0.2 -6,-0.2 -0.785 36.6 163.3 -93.8 141.6 -3.5 0.9 -33.0 55 170 A V E -E 47 0A 8 -8,-2.1 -8,-3.4 -2,-0.4 2,-0.6 -0.983 36.6-135.0-159.7 146.9 -3.4 3.3 -30.1 56 171 A I E -EF 46 72A 0 16,-2.9 16,-2.3 -2,-0.3 2,-0.5 -0.935 24.8-161.8-106.3 121.0 -3.2 3.3 -26.3 57 172 A V E -EF 45 71A 0 -12,-2.3 -12,-2.7 -2,-0.6 2,-0.4 -0.903 7.6-174.7-106.5 128.8 -5.6 5.6 -24.7 58 173 A C E +EF 44 70A 2 12,-2.2 12,-2.7 -2,-0.5 2,-0.3 -0.958 18.6 141.2-121.1 141.7 -5.1 6.8 -21.1 59 174 A N E -E 43 0A 3 -16,-1.5 -16,-2.4 -2,-0.4 2,-0.4 -0.960 39.4-120.2-164.7 177.7 -7.6 8.9 -19.2 60 175 A T E - 0 0 3 -2,-0.3 7,-2.5 -18,-0.2 2,-0.5 -0.978 15.7-147.6-132.9 142.9 -9.3 9.6 -15.9 61 176 A K E +EG 40 66A 58 -21,-2.3 -21,-2.3 -2,-0.4 2,-0.4 -0.961 21.9 170.7-117.6 118.6 -13.0 9.6 -15.1 62 177 A L E > - G 0 65A 69 3,-2.2 3,-1.2 -2,-0.5 -23,-0.1 -0.983 68.0 -0.1-126.9 137.7 -14.4 12.0 -12.5 63 178 A D T 3 S- 0 0 143 -2,-0.4 -1,-0.2 1,-0.3 -24,-0.1 0.911 131.0 -57.1 50.8 48.0 -18.0 12.7 -11.7 64 179 A N T 3 S+ 0 0 117 -26,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.758 117.6 108.5 57.1 28.7 -19.1 10.2 -14.4 65 180 A N E < -G 62 0A 117 -3,-1.2 -3,-2.2 0, 0.0 2,-0.2 -0.983 66.1-129.7-141.0 129.5 -17.2 12.0 -17.1 66 181 A W E -G 61 0A 97 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.490 28.1-152.1 -72.9 141.1 -14.0 11.2 -19.0 67 182 A G - 0 0 41 -7,-2.5 2,-0.5 1,-0.2 -1,-0.1 0.196 45.1 -31.4 -91.7-148.1 -11.4 13.8 -19.0 68 183 A R - 0 0 162 1,-0.1 -1,-0.2 -9,-0.0 2,-0.2 -0.601 65.6-131.9 -74.0 120.7 -8.6 14.8 -21.5 69 184 A E - 0 0 79 -2,-0.5 2,-0.6 -10,-0.1 -10,-0.2 -0.476 9.3-151.5 -76.6 146.1 -7.2 11.7 -23.2 70 185 A E E -F 58 0A 50 -12,-2.7 -12,-2.2 -2,-0.2 2,-0.4 -0.982 20.2-159.1-116.3 115.3 -3.5 11.0 -23.4 71 186 A R E -F 57 0A 119 -2,-0.6 2,-0.4 -14,-0.2 -14,-0.2 -0.849 13.2-172.5-107.9 136.9 -2.7 9.0 -26.5 72 187 A Q E -F 56 0A 52 -16,-2.3 -16,-2.9 -2,-0.4 32,-0.0 -0.982 11.5-167.3-125.3 129.0 0.3 6.9 -27.3 73 188 A S + 0 0 68 -2,-0.4 2,-0.3 -18,-0.2 -19,-0.1 0.728 62.4 101.3 -87.9 -24.4 1.0 5.3 -30.7 74 189 A V - 0 0 87 29,-0.1 -18,-0.1 -18,-0.1 -2,-0.1 -0.493 54.5-178.8 -60.7 123.8 3.8 3.0 -29.6 75 190 A F + 0 0 27 -2,-0.3 -1,-0.1 1,-0.1 -21,-0.0 -0.852 19.7 174.0-136.7 96.9 1.8 -0.3 -29.3 76 191 A P + 0 0 46 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.546 50.1 102.2 -79.8 -8.8 3.7 -3.4 -28.1 77 192 A F - 0 0 2 6,-0.0 2,-0.3 21,-0.0 6,-0.1 -0.419 46.9-174.1 -79.1 152.5 0.7 -5.8 -28.0 78 193 A E > - 0 0 92 3,-0.3 3,-2.2 -2,-0.1 -55,-0.4 -0.980 32.9-102.4-148.0 132.3 -0.1 -8.4 -30.6 79 194 A S T 3 S+ 0 0 42 -2,-0.3 -55,-0.2 1,-0.3 46,-0.1 -0.241 107.5 12.5 -53.8 136.2 -3.2 -10.7 -30.9 80 195 A G T 3 S+ 0 0 38 -57,-1.2 -1,-0.3 -56,-0.5 -56,-0.1 0.459 104.2 115.6 75.9 1.5 -2.4 -14.2 -29.7 81 196 A K < - 0 0 127 -3,-2.2 -58,-2.3 -57,-0.2 -3,-0.3 -0.813 68.2-112.8-108.8 145.5 0.9 -13.2 -28.1 82 197 A P E -I 22 0B 93 0, 0.0 2,-0.3 0, 0.0 -60,-0.3 -0.349 38.6-174.2 -69.6 153.1 1.9 -13.3 -24.4 83 198 A F E -I 21 0B 11 -62,-2.9 -62,-1.7 -6,-0.1 2,-0.4 -0.944 21.2-151.4-144.8 164.7 2.5 -10.0 -22.7 84 199 A K E -I 20 0B 58 -2,-0.3 15,-2.5 -64,-0.2 2,-0.5 -0.988 11.0-169.0-139.9 126.5 3.6 -8.5 -19.4 85 200 A I E -IJ 19 98B 0 -66,-2.7 -66,-2.9 -2,-0.4 2,-0.4 -0.981 3.5-172.1-119.2 129.2 2.4 -5.2 -18.1 86 201 A Q E -IJ 18 97B 42 11,-2.9 11,-2.4 -2,-0.5 2,-0.5 -0.980 4.0-167.8-121.1 132.6 4.2 -3.6 -15.1 87 202 A V E -IJ 17 96B 0 -70,-2.7 -70,-2.9 -2,-0.4 2,-0.5 -0.972 5.0-165.5-122.4 114.8 2.8 -0.5 -13.4 88 203 A L E -IJ 16 95B 29 7,-3.2 7,-2.7 -2,-0.5 2,-0.5 -0.881 13.8-140.4-101.7 126.2 5.1 1.2 -11.0 89 204 A V E + J 0 94B 1 -74,-3.0 -75,-3.2 -2,-0.5 -74,-0.2 -0.750 25.5 173.8 -89.9 126.6 3.6 3.8 -8.7 90 205 A E - 0 0 36 3,-2.4 176,-0.1 -2,-0.5 3,-0.1 -0.800 46.6-101.7-121.3 166.1 5.6 6.9 -8.1 91 206 A P S S+ 0 0 11 0, 0.0 175,-2.4 0, 0.0 22,-0.1 0.810 119.7 30.1 -59.8 -27.8 4.5 10.0 -6.1 92 207 A D S S- 0 0 11 173,-0.2 16,-1.9 1,-0.2 2,-0.3 0.605 125.7 -0.2-108.3 -15.0 3.9 12.0 -9.3 93 208 A H E - K 0 107B 8 14,-0.3 -3,-2.4 174,-0.1 2,-0.5 -0.980 63.7-101.7-163.2 172.7 2.8 9.4 -11.9 94 209 A F E -JK 89 106B 2 12,-2.3 12,-2.6 -2,-0.3 2,-0.5 -0.906 35.8-153.1-101.2 131.5 2.1 5.8 -12.9 95 210 A K E -JK 88 105B 63 -7,-2.7 -7,-3.2 -2,-0.5 2,-0.4 -0.951 11.6-163.6-110.1 124.6 5.0 4.4 -14.9 96 211 A V E +JK 87 104B 0 8,-3.0 7,-2.9 -2,-0.5 8,-1.7 -0.924 11.3 178.9-116.0 132.9 4.0 1.6 -17.3 97 212 A A E -JK 86 102B 18 -11,-2.4 -11,-2.9 -2,-0.4 2,-0.4 -0.979 10.7-158.6-128.1 141.1 6.3 -0.9 -19.0 98 213 A V E > S-JK 85 101B 2 3,-2.4 3,-1.0 -2,-0.4 -13,-0.2 -0.985 76.4 -6.3-123.2 131.3 5.3 -3.6 -21.4 99 214 A N T 3 S- 0 0 73 -15,-2.5 -1,-0.2 -2,-0.4 -14,-0.1 0.886 131.8 -53.9 52.4 44.4 7.4 -6.7 -22.0 100 215 A D T 3 S+ 0 0 116 -16,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.714 117.2 107.5 65.2 26.4 10.3 -5.2 -19.9 101 216 A A E < S-K 98 0B 55 -3,-1.0 -3,-2.4 0, 0.0 -1,-0.2 -0.999 76.8-107.1-135.4 133.2 10.4 -1.9 -21.9 102 217 A H E +K 97 0B 112 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.314 40.6 168.8 -57.8 136.4 9.2 1.5 -20.8 103 218 A L E - 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