==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 23-OCT-06 2NMN . COMPND 2 MOLECULE: GALECTIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.BLANCHARD,P.M.COLLINS . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 79.7 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 . 71 51.4 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 . 5 3.6 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 . 25 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 1 1 2 3 1 0 1 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 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 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 1 113 A P 0 0 168 0, 0.0 2,-0.3 0, 0.0 130,-0.2 0.000 360.0 360.0 360.0 138.7 -5.4 33.3 21.7 2 114 A L B -A 130 0A 57 128,-2.7 128,-0.7 130,-0.0 2,-0.3 -0.877 360.0-109.8-121.6 149.7 -3.6 32.7 25.0 3 115 A I - 0 0 141 -2,-0.3 126,-0.1 126,-0.1 0, 0.0 -0.580 40.2-112.5 -80.0 136.2 -2.5 35.0 27.9 4 116 A V S S+ 0 0 41 -2,-0.3 121,-0.1 124,-0.1 2,-0.1 -0.927 99.6 53.3-113.0 138.0 1.2 35.8 28.5 5 117 A P S S- 0 0 107 0, 0.0 2,-0.4 0, 0.0 120,-0.2 0.435 89.1-172.0 -63.9 138.0 3.0 34.9 30.8 6 118 A Y E -F 124 0B 67 118,-3.6 118,-3.7 -2,-0.1 2,-0.5 -0.895 17.3-155.6-115.2 142.6 1.8 31.5 30.0 7 119 A N E -F 123 0B 76 -2,-0.4 116,-0.2 116,-0.2 114,-0.0 -0.972 7.3-171.3-120.5 117.4 2.4 28.4 32.0 8 120 A L E -F 122 0B 14 114,-3.4 114,-2.9 -2,-0.5 2,-0.2 -0.951 16.7-141.9-113.9 113.9 2.3 25.0 30.3 9 121 A P E -F 121 0B 76 0, 0.0 112,-0.3 0, 0.0 111,-0.0 -0.524 3.0-154.0 -72.2 137.8 2.4 22.0 32.6 10 122 A L > - 0 0 1 110,-2.7 3,-2.9 -2,-0.2 -2,-0.0 -0.851 22.6-139.0-111.9 86.2 4.4 19.0 31.3 11 123 A P T 3 S+ 0 0 97 0, 0.0 110,-0.1 0, 0.0 109,-0.0 -0.242 85.0 7.0 -56.1 124.4 2.7 16.1 33.2 12 124 A G T 3 S- 0 0 71 108,-0.1 107,-0.1 105,-0.1 108,-0.1 0.534 119.0 -93.7 83.2 5.4 5.3 13.7 34.4 13 125 A G < - 0 0 4 -3,-2.9 104,-0.3 107,-0.2 107,-0.2 -0.261 63.4 -40.5 84.4-173.1 8.2 16.0 33.4 14 126 A V - 0 0 4 102,-2.1 105,-0.1 105,-0.5 104,-0.0 -0.579 55.2-177.0 -91.5 160.6 10.2 16.0 30.1 15 127 A V > - 0 0 70 -2,-0.2 3,-1.7 102,-0.1 77,-0.3 -0.982 38.1 -84.4-150.7 144.5 11.2 12.8 28.4 16 128 A P T 3 S+ 0 0 46 0, 0.0 77,-0.2 0, 0.0 3,-0.1 -0.262 115.1 31.0 -51.1 148.8 13.3 12.1 25.3 17 129 A R T 3 S+ 0 0 144 75,-2.5 121,-2.6 1,-0.3 2,-0.3 0.351 85.7 134.9 76.7 -2.0 11.2 12.3 22.0 18 130 A M E < -B 137 0A 10 -3,-1.7 74,-3.0 74,-0.2 2,-0.5 -0.615 39.6-160.6 -75.1 134.3 8.9 14.9 23.6 19 131 A L E -BC 136 91A 30 117,-2.6 117,-1.5 -2,-0.3 2,-0.5 -0.970 5.7-163.2-122.8 117.7 8.3 17.7 21.1 20 132 A I E -BC 135 90A 0 70,-3.4 70,-2.5 -2,-0.5 2,-0.5 -0.894 5.9-165.1-102.6 129.1 7.0 21.1 22.3 21 133 A T E -BC 134 89A 29 113,-2.6 113,-2.2 -2,-0.5 2,-0.5 -0.970 4.9-174.3-118.0 121.7 5.5 23.4 19.6 22 134 A I E -BC 133 88A 0 66,-3.1 66,-2.8 -2,-0.5 2,-0.4 -0.969 1.9-172.5-115.6 122.3 5.0 27.1 20.3 23 135 A L E +BC 132 87A 65 109,-2.7 108,-2.3 -2,-0.5 109,-2.0 -0.969 24.8 121.5-114.0 131.8 3.2 29.3 17.8 24 136 A G E -BC 130 86A 3 62,-1.4 62,-2.7 -2,-0.4 2,-0.4 -0.942 51.7-102.9-161.2-172.8 2.9 33.1 18.2 25 137 A T E -BC 129 85A 44 104,-2.2 104,-2.3 -2,-0.3 2,-0.3 -0.976 33.2-121.8-121.0 138.3 3.6 36.6 16.7 26 138 A V E -B 128 0A 1 58,-1.9 57,-0.9 55,-0.4 102,-0.3 -0.620 32.5-119.0 -75.5 131.6 6.4 38.8 17.9 27 139 A K > - 0 0 94 100,-2.7 3,-0.9 -2,-0.3 56,-0.4 -0.363 33.6 -97.8 -62.9 147.8 5.1 42.2 19.0 28 140 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 53,-0.0 -0.518 113.4 18.9 -61.1 141.2 6.3 45.3 17.1 29 141 A N T 3 S+ 0 0 161 1,-0.2 2,-0.2 -2,-0.1 -2,-0.1 0.919 91.3 177.6 60.3 39.9 9.2 46.9 19.1 30 142 A A < - 0 0 10 -3,-0.9 -1,-0.2 1,-0.1 52,-0.1 -0.509 19.3-175.6 -71.5 146.2 9.7 43.6 21.0 31 143 A N - 0 0 95 1,-0.4 20,-2.9 -2,-0.2 21,-0.6 0.747 61.1 -0.7-110.2 -42.4 12.6 43.6 23.5 32 144 A R B -G 50 0B 93 18,-0.2 95,-3.3 19,-0.1 -1,-0.4 -0.988 44.5-162.6-153.7 151.5 12.7 40.0 24.7 33 145 A I E -H 126 0B 0 16,-1.9 2,-0.4 -2,-0.3 93,-0.3 -0.965 19.4-167.9-125.5 146.8 11.1 36.6 24.6 34 146 A A E -H 125 0B 0 91,-2.6 91,-2.3 -2,-0.3 2,-0.5 -0.970 16.9-172.3-143.4 129.7 11.7 33.9 27.2 35 147 A L E -HI 124 47B 2 12,-2.2 12,-2.5 -2,-0.4 2,-0.5 -0.966 15.4-170.8-104.2 131.1 11.1 30.2 27.6 36 148 A D E -HI 123 46B 26 87,-2.5 87,-3.2 -2,-0.5 2,-0.7 -0.936 12.6-161.4-129.2 110.0 11.7 28.8 31.0 37 149 A F E -HI 122 45B 0 8,-2.6 7,-2.8 -2,-0.5 8,-1.1 -0.812 26.6-155.6 -84.3 114.0 11.7 25.1 31.7 38 150 A Q E -HI 121 43B 40 83,-2.6 82,-1.2 -2,-0.7 83,-1.2 -0.825 31.3-172.9-108.4 133.7 11.3 24.9 35.4 39 151 A R E > S- I 0 42B 73 3,-1.7 3,-1.8 -2,-0.4 2,-0.5 -0.851 78.8 -62.3-107.8 87.2 12.2 22.2 37.9 40 152 A G T 3 S- 0 0 51 -2,-0.6 81,-0.0 78,-0.3 79,-0.0 -0.587 119.0 -15.6 70.1-121.8 10.6 23.9 40.9 41 153 A N T 3 S+ 0 0 108 -2,-0.5 -1,-0.3 -3,-0.1 2,-0.2 0.597 122.5 91.7 -89.2 -12.0 12.3 27.2 41.5 42 154 A D E < S-I 39 0B 17 -3,-1.8 -3,-1.7 24,-0.1 2,-0.7 -0.514 72.2-138.6 -82.4 150.4 15.2 26.2 39.3 43 155 A V E -IJ 38 64B 7 21,-2.4 21,-3.0 -5,-0.2 -5,-0.3 -0.958 15.7-171.6-110.8 110.6 15.2 27.0 35.6 44 156 A A E S+ 0 0 2 -7,-2.8 68,-0.4 -2,-0.7 2,-0.3 0.864 76.9 9.2 -66.8 -42.1 16.6 24.0 33.8 45 157 A F E -I 37 0B 1 -8,-1.1 -8,-2.6 -3,-0.1 2,-0.5 -0.921 65.8-170.9-149.5 114.8 16.7 25.7 30.5 46 158 A H E -IJ 36 62B 15 16,-2.9 16,-1.7 -2,-0.3 2,-0.5 -0.941 4.4-169.7-107.5 123.6 16.2 29.4 29.9 47 159 A F E +IJ 35 61B 1 -12,-2.5 -12,-2.2 -2,-0.5 14,-0.2 -0.968 12.0 175.3-119.7 113.5 15.9 30.4 26.2 48 160 A N E - J 0 60B 7 12,-3.3 12,-2.6 -2,-0.5 2,-0.5 -0.783 17.2-165.3-136.8 83.0 16.0 34.2 25.9 49 161 A P E - J 0 59B 0 0, 0.0 -16,-1.9 0, 0.0 2,-0.5 -0.621 14.4-158.2 -62.3 121.1 16.1 35.9 22.5 50 162 A R E -GJ 32 58B 61 8,-4.2 8,-2.6 -2,-0.5 3,-0.4 -0.936 10.5-164.8-106.3 121.7 17.1 39.6 23.1 51 163 A F S S+ 0 0 16 -20,-2.9 2,-0.3 -2,-0.5 -19,-0.1 0.837 82.6 22.4 -78.2 -33.0 16.1 42.1 20.4 52 164 A N + 0 0 89 -21,-0.6 2,-0.6 3,-0.1 -1,-0.2 -0.714 63.4 151.9-139.9 89.4 18.4 44.9 21.5 53 165 A E S S- 0 0 47 3,-2.6 3,-0.4 -3,-0.4 -3,-0.0 -0.929 94.6 -28.5-115.0 102.5 21.4 44.1 23.7 54 166 A N S S- 0 0 134 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.897 122.6 -54.3 47.3 47.1 23.8 46.9 22.9 55 167 A N S S+ 0 0 141 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.819 118.4 111.0 65.0 28.0 22.3 47.2 19.4 56 168 A R - 0 0 182 -3,-0.4 -3,-2.6 2,-0.0 2,-0.5 -0.956 65.9-133.1-126.5 145.4 22.8 43.5 18.7 57 169 A R + 0 0 119 -2,-0.3 2,-0.3 -5,-0.2 -6,-0.2 -0.897 40.8 165.6 -97.3 131.0 20.2 40.8 18.4 58 170 A V E -J 50 0B 13 -8,-2.6 -8,-4.2 -2,-0.5 2,-0.5 -0.996 36.5-136.1-150.8 146.0 21.2 37.8 20.4 59 171 A I E -JK 49 75B 0 16,-2.7 16,-2.1 -2,-0.3 2,-0.5 -0.940 22.5-162.9-104.7 123.8 19.9 34.5 21.9 60 172 A V E -JK 48 74B 1 -12,-2.6 -12,-3.3 -2,-0.5 2,-0.4 -0.936 6.3-174.0-108.9 129.1 20.9 33.8 25.5 61 173 A C E +JK 47 73B 2 12,-2.9 12,-2.8 -2,-0.5 2,-0.3 -0.977 19.3 143.0-115.5 136.0 20.6 30.3 27.0 62 174 A N E -J 46 0B 3 -16,-1.7 -16,-2.9 -2,-0.4 2,-0.4 -0.953 39.5-124.8-156.5 176.6 21.3 29.6 30.6 63 175 A T E - 0 0 3 -2,-0.3 7,-1.8 -18,-0.2 2,-0.5 -0.958 16.6-149.1-127.6 140.1 20.3 27.5 33.7 64 176 A K E +JL 43 69B 44 -21,-3.0 -21,-2.4 -2,-0.4 2,-0.4 -0.967 17.9 179.5-119.2 118.4 19.3 29.0 37.1 65 177 A L E > S- L 0 68B 78 3,-2.4 3,-2.0 -2,-0.5 -23,-0.1 -0.974 71.1 -11.2-120.9 122.9 20.2 26.8 40.1 66 178 A D T 3 S- 0 0 133 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.860 130.6 -55.5 53.6 36.1 19.4 27.9 43.7 67 179 A N T 3 S+ 0 0 98 1,-0.2 2,-0.5 -26,-0.2 -1,-0.3 0.466 114.7 116.2 78.6 4.7 18.6 31.4 42.3 68 180 A N E < -L 65 0B 116 -3,-2.0 -3,-2.4 0, 0.0 -1,-0.2 -0.934 60.0-137.1-109.7 126.4 22.1 31.7 40.6 69 181 A W E -L 64 0B 119 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.491 24.6-153.1 -71.1 141.7 22.4 32.0 36.8 70 182 A G - 0 0 41 -7,-1.8 2,-0.3 1,-0.2 -1,-0.1 -0.064 44.3 -33.9 -96.9-152.7 25.3 29.9 35.5 71 183 A R - 0 0 171 1,-0.1 -1,-0.2 -9,-0.1 -8,-0.2 -0.513 67.5-128.4 -70.8 126.9 27.5 30.3 32.4 72 184 A E - 0 0 71 -2,-0.3 2,-0.5 -10,-0.1 -10,-0.2 -0.427 10.0-148.7 -77.2 148.2 25.6 31.7 29.4 73 185 A E E -K 61 0B 51 -12,-2.8 -12,-2.9 -2,-0.1 2,-0.5 -0.990 18.6-159.3-118.6 127.1 25.4 30.2 26.0 74 186 A R E -K 60 0B 123 -2,-0.5 2,-0.5 -14,-0.2 -14,-0.2 -0.916 13.1-173.3-117.8 130.4 25.1 32.8 23.2 75 187 A Q E -K 59 0B 53 -16,-2.1 -16,-2.7 -2,-0.5 32,-0.0 -0.982 7.9-169.9-118.2 127.5 23.8 32.3 19.7 76 188 A S + 0 0 96 -2,-0.5 2,-0.6 -18,-0.2 -19,-0.1 0.564 62.0 100.3 -96.6 -7.9 24.1 35.2 17.3 77 189 A V - 0 0 88 29,-0.1 -2,-0.1 -18,-0.1 -18,-0.1 -0.691 57.5-174.4 -69.0 122.5 21.9 33.5 14.6 78 190 A F + 0 0 25 -2,-0.6 -2,-0.0 1,-0.1 -21,-0.0 -0.894 20.7 172.9-129.7 100.0 18.6 35.3 15.2 79 191 A P + 0 0 38 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.374 50.0 102.1 -91.0 6.7 15.5 34.1 13.3 80 192 A F - 0 0 1 6,-0.1 2,-0.3 21,-0.0 -2,-0.1 -0.625 49.8-169.7 -88.3 153.6 13.0 36.2 15.1 81 193 A E > - 0 0 81 3,-0.3 3,-2.0 -2,-0.2 -55,-0.4 -0.976 28.9-106.4-143.3 128.7 11.6 39.3 13.5 82 194 A S T 3 S+ 0 0 58 -2,-0.3 -55,-0.1 1,-0.3 -57,-0.0 -0.234 104.7 12.3 -48.5 129.5 9.4 42.1 15.2 83 195 A G T 3 S+ 0 0 38 -57,-0.9 -1,-0.3 -56,-0.4 -56,-0.1 0.276 106.7 112.2 87.4 -11.8 5.8 41.9 14.0 84 196 A K < - 0 0 101 -3,-2.0 -58,-1.9 -57,-0.2 -3,-0.3 -0.741 68.6-110.5-106.9 144.2 6.2 38.5 12.4 85 197 A P E -C 25 0A 94 0, 0.0 2,-0.3 0, 0.0 -60,-0.3 -0.355 37.0-176.3 -66.4 143.2 4.8 35.0 13.1 86 198 A F E -C 24 0A 9 -62,-2.7 -62,-1.4 -2,-0.1 2,-0.4 -0.895 21.1-149.0-130.9 161.1 7.2 32.3 14.4 87 199 A K E -C 23 0A 50 -2,-0.3 15,-3.1 -64,-0.2 2,-0.4 -0.981 13.8-166.2-130.2 127.1 7.1 28.7 15.2 88 200 A I E -CD 22 101A 1 -66,-2.8 -66,-3.1 -2,-0.4 2,-0.4 -0.959 3.3-170.9-106.8 128.5 9.5 27.4 17.9 89 201 A Q E -CD 21 100A 44 11,-2.9 11,-2.3 -2,-0.4 2,-0.6 -0.983 4.7-169.9-118.1 124.1 10.0 23.6 18.3 90 202 A V E -CD 20 99A 1 -70,-2.5 -70,-3.4 -2,-0.4 2,-0.5 -0.983 6.5-168.4-111.2 115.5 11.9 22.2 21.3 91 203 A L E -CD 19 98A 17 7,-2.6 7,-3.1 -2,-0.6 2,-0.5 -0.953 16.0-138.6-100.7 126.7 12.7 18.5 20.9 92 204 A V E + D 0 97A 0 -74,-3.0 -75,-2.5 -2,-0.5 -74,-0.2 -0.739 27.1 179.2 -83.1 124.0 13.9 16.8 24.0 93 205 A E - 0 0 50 3,-2.6 -75,-0.0 -2,-0.5 0, 0.0 -0.719 44.3 -95.5-117.2 171.3 16.8 14.4 23.3 94 206 A P S S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.906 120.7 19.6 -54.2 -42.2 18.8 12.2 25.6 95 207 A D S S+ 0 0 109 1,-0.1 16,-2.0 15,-0.1 2,-0.3 0.544 127.8 11.2-109.3 -8.4 21.6 14.7 26.0 96 208 A H E - E 0 110A 37 14,-0.3 -3,-2.6 15,-0.0 2,-0.4 -0.975 65.9-106.7-157.7 163.3 20.2 18.0 24.9 97 209 A F E -DE 92 109A 3 12,-2.0 12,-2.2 -2,-0.3 2,-0.6 -0.890 36.1-151.7 -86.4 135.4 17.2 20.1 24.1 98 210 A K E -DE 91 108A 64 -7,-3.1 -7,-2.6 -2,-0.4 2,-0.4 -0.943 9.6-160.3-113.1 119.9 17.2 20.8 20.3 99 211 A V E +DE 90 107A 0 8,-3.5 7,-2.9 -2,-0.6 8,-1.5 -0.882 12.1 177.3-107.1 132.8 15.6 24.1 19.2 100 212 A A E -DE 89 105A 21 -11,-2.3 -11,-2.9 -2,-0.4 2,-0.5 -0.997 11.1-159.8-128.4 133.2 14.3 24.8 15.7 101 213 A V E > S-DE 88 104A 3 3,-2.4 3,-2.2 -2,-0.4 -13,-0.2 -0.964 77.7 -5.4-114.7 132.6 12.6 28.0 14.7 102 214 A N T 3 S- 0 0 65 -15,-3.1 -1,-0.2 -2,-0.5 -14,-0.1 0.926 131.1 -57.5 52.2 48.6 10.4 28.2 11.6 103 215 A D T 3 S+ 0 0 117 -3,-0.2 2,-0.5 -16,-0.2 -1,-0.3 0.484 115.7 112.7 63.2 7.3 11.5 24.6 10.7 104 216 A A E < S-E 101 0A 62 -3,-2.2 -3,-2.4 -25,-0.0 -1,-0.1 -0.952 75.6-109.2-113.7 131.6 15.2 25.5 10.7 105 217 A H E +E 100 0A 116 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.301 39.4 171.6 -53.6 122.7 17.6 24.1 13.3 106 218 A L E - 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