==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 30-AUG-12 4GV1 . COMPND 2 MOLECULE: RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.ADDIE,P.BALLARD,G.BIRD,D.BUTTAR,G.CURRIE,B.DAVIES,J.DEBREC . 330 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 3 1 0 1 0 2 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 1 2 0 1 1 2 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 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 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 1 143 A S 0 0 125 0, 0.0 327,-0.1 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 71.4 -25.0 -11.0 -8.4 2 144 A R + 0 0 228 325,-0.1 2,-0.1 2,-0.0 327,-0.0 0.974 360.0 64.5 -76.2 -61.0 -25.1 -7.8 -10.5 3 145 A V + 0 0 28 2,-0.0 2,-0.2 3,-0.0 0, 0.0 -0.398 58.0 171.8 -76.3 143.9 -23.3 -5.0 -8.6 4 146 A T > - 0 0 54 -2,-0.1 3,-1.6 71,-0.1 4,-0.1 -0.764 52.1 -86.1-134.9 177.3 -19.6 -5.1 -7.8 5 147 A M G > S+ 0 0 9 1,-0.3 3,-1.3 -2,-0.2 -2,-0.0 0.797 122.3 65.7 -61.4 -29.2 -17.0 -2.8 -6.3 6 148 A N G 3 S+ 0 0 101 1,-0.2 -1,-0.3 303,-0.1 22,-0.0 0.613 86.2 71.2 -67.6 -13.5 -16.3 -1.4 -9.9 7 149 A E G < S+ 0 0 66 -3,-1.6 21,-2.1 21,-0.1 22,-0.5 0.482 94.1 67.6 -80.2 -3.7 -19.9 0.0 -10.0 8 150 A F E < -A 27 0A 4 -3,-1.3 2,-0.5 19,-0.2 19,-0.2 -0.886 69.2-139.1-121.8 149.3 -19.0 2.8 -7.5 9 151 A E E -A 26 0A 90 17,-2.6 17,-2.0 -2,-0.3 2,-0.6 -0.911 25.9-136.7 -98.4 133.3 -16.8 5.8 -7.3 10 152 A Y E +A 25 0A 46 -2,-0.5 15,-0.2 15,-0.2 295,-0.1 -0.829 33.0 165.9 -99.4 112.3 -15.0 6.1 -3.9 11 153 A L E - 0 0 50 13,-2.9 2,-0.3 -2,-0.6 14,-0.2 0.891 49.3 -5.6-100.5 -50.0 -15.2 9.7 -2.7 12 154 A K E -A 24 0A 64 12,-1.0 12,-3.1 292,-0.1 2,-0.5 -0.993 59.7-111.8-157.8 140.8 -14.4 10.3 1.0 13 155 A L E +A 23 0A 8 290,-0.4 10,-0.2 287,-0.3 290,-0.2 -0.688 32.3 174.0 -77.5 121.9 -13.6 8.4 4.2 14 156 A L E - 0 0 14 8,-2.9 2,-0.3 -2,-0.5 283,-0.2 0.765 63.0 -7.3 -96.0 -34.7 -16.5 8.8 6.7 15 157 A G E -A 22 0A 18 7,-1.6 7,-2.7 285,-0.1 -1,-0.4 -0.984 57.2-170.2-162.6 155.6 -15.4 6.4 9.5 16 158 A K E +A 21 0A 115 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.991 12.0 158.0-153.3 150.4 -12.7 3.9 10.3 17 159 A G - 0 0 47 3,-2.5 3,-0.4 -2,-0.3 -2,-0.0 -0.892 57.4 -70.8-158.8-173.8 -12.1 1.3 13.0 18 160 A T S S+ 0 0 116 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.855 127.4 44.0 -61.0 -33.1 -10.3 -1.9 13.9 19 161 A F S S- 0 0 66 1,-0.2 21,-0.8 20,-0.1 2,-0.3 0.689 123.0 -65.9 -90.9 -17.1 -12.5 -4.0 11.7 20 162 A G E - B 0 39A 22 -3,-0.4 -3,-2.5 19,-0.2 2,-0.3 -0.986 52.6 -73.3 166.1-155.5 -12.7 -1.8 8.6 21 163 A K E -AB 16 38A 50 17,-2.0 17,-3.1 -2,-0.3 2,-0.4 -0.893 16.4-139.4-140.0 160.9 -13.8 1.4 7.0 22 164 A V E -AB 15 37A 37 -7,-2.7 -8,-2.9 -2,-0.3 -7,-1.6 -0.993 25.0-171.2-126.4 123.4 -16.9 3.3 5.8 23 165 A I E -AB 13 36A 1 13,-2.6 13,-3.3 -2,-0.4 2,-0.5 -0.918 26.5-121.7-119.5 135.3 -16.6 5.3 2.5 24 166 A L E -AB 12 35A 0 -12,-3.1 -13,-2.9 -2,-0.4 -12,-1.0 -0.674 44.8-179.0 -69.8 123.1 -18.9 7.8 0.8 25 167 A V E -AB 10 34A 0 9,-2.8 9,-2.4 -2,-0.5 2,-0.4 -0.855 27.5-144.3-128.7 156.8 -19.6 6.4 -2.6 26 168 A K E -AB 9 33A 54 -17,-2.0 -17,-2.6 -2,-0.3 2,-0.7 -0.996 21.4-132.4-116.7 126.6 -21.5 7.2 -5.8 27 169 A E E >> -A 8 0A 15 5,-2.9 4,-2.5 -2,-0.4 3,-0.6 -0.731 21.3-149.5 -73.9 113.1 -23.2 4.4 -7.8 28 170 A K T 34 S+ 0 0 122 -21,-2.1 -1,-0.2 -2,-0.7 -20,-0.1 0.875 89.0 52.5 -55.6 -44.7 -21.9 5.4 -11.3 29 171 A A T 34 S+ 0 0 91 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.797 124.3 24.3 -66.3 -30.3 -25.0 4.1 -13.3 30 172 A T T <4 S- 0 0 71 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.591 92.7-129.0-110.7 -17.9 -27.6 6.0 -11.2 31 173 A G < + 0 0 30 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.538 60.4 141.5 74.5 7.0 -25.7 9.0 -9.7 32 174 A R - 0 0 153 -5,-0.5 -5,-2.9 1,-0.0 2,-0.3 -0.550 44.8-133.0 -85.2 148.6 -27.0 8.1 -6.2 33 175 A Y E +B 26 0A 64 -7,-0.2 54,-0.5 -2,-0.2 2,-0.3 -0.806 28.9 164.1-107.9 143.4 -24.9 8.4 -3.1 34 176 A Y E -B 25 0A 19 -9,-2.4 -9,-2.8 -2,-0.3 2,-0.6 -0.916 39.4-111.2-145.5 161.8 -24.4 5.8 -0.3 35 177 A A E -BC 24 85A 11 50,-2.8 50,-3.1 -2,-0.3 2,-0.6 -0.954 33.6-158.4 -95.4 121.5 -22.2 4.9 2.7 36 178 A M E -BC 23 84A 0 -13,-3.3 -13,-2.6 -2,-0.6 2,-0.5 -0.914 4.4-156.7-104.8 114.6 -20.2 1.8 1.9 37 179 A K E -BC 22 83A 19 46,-2.8 46,-2.3 -2,-0.6 2,-0.5 -0.788 12.8-166.8 -85.6 124.1 -18.9 -0.3 4.8 38 180 A I E -BC 21 82A 4 -17,-3.1 -17,-2.0 -2,-0.5 2,-0.4 -0.977 5.9-175.9-119.2 118.0 -15.9 -2.4 3.6 39 181 A L E -BC 20 81A 10 42,-2.6 42,-2.5 -2,-0.5 2,-0.6 -0.948 24.3-129.1-115.7 135.9 -14.6 -5.2 5.9 40 182 A K E > - C 0 80A 129 -21,-0.8 4,-2.2 -2,-0.4 3,-0.4 -0.742 13.2-145.6 -82.3 121.8 -11.6 -7.4 5.3 41 183 A K H > S+ 0 0 1 38,-2.3 4,-2.3 -2,-0.6 5,-0.2 0.880 97.8 55.7 -48.2 -46.4 -12.6 -11.0 5.7 42 184 A E H > S+ 0 0 74 37,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.866 109.3 46.6 -61.7 -38.1 -9.2 -12.0 7.2 43 185 A V H > S+ 0 0 31 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.944 111.3 50.0 -71.2 -46.8 -9.6 -9.3 9.9 44 186 A I H <>S+ 0 0 1 -4,-2.2 5,-2.8 1,-0.2 6,-0.6 0.869 114.2 45.9 -57.4 -41.2 -13.2 -10.3 10.9 45 187 A V H ><5S+ 0 0 44 -4,-2.3 3,-1.4 274,-0.3 -1,-0.2 0.947 112.7 49.6 -68.4 -48.1 -12.1 -14.0 11.1 46 188 A A H 3<5S+ 0 0 69 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.825 114.8 44.5 -59.6 -36.0 -9.0 -13.2 13.2 47 189 A K T 3<5S- 0 0 135 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.249 109.9-117.3 -97.3 9.5 -10.9 -11.0 15.6 48 190 A D T < 5S+ 0 0 142 -3,-1.4 4,-0.2 -4,-0.1 -3,-0.2 0.882 75.8 130.3 56.9 41.0 -13.9 -13.3 16.1 49 191 A E >< + 0 0 35 -5,-2.8 4,-2.0 -6,-0.2 -4,-0.2 0.236 35.3 99.8-107.6 9.7 -16.2 -10.7 14.6 50 192 A V H > S+ 0 0 35 -6,-0.6 4,-2.6 1,-0.2 5,-0.2 0.939 79.9 49.1 -64.9 -50.1 -17.9 -13.0 12.1 51 193 A A H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 112.8 48.9 -59.3 -41.5 -21.1 -13.7 14.1 52 194 A H H > S+ 0 0 48 2,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.921 110.8 50.1 -62.9 -44.7 -21.5 -9.9 14.6 53 195 A T H X S+ 0 0 6 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.923 112.0 47.3 -62.6 -44.2 -21.0 -9.1 11.0 54 196 A L H X S+ 0 0 30 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.884 109.9 53.6 -66.6 -37.7 -23.5 -11.8 9.9 55 197 A T H X S+ 0 0 15 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.926 107.4 50.4 -61.3 -46.2 -26.1 -10.5 12.5 56 198 A E H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.932 109.5 52.2 -58.0 -44.5 -25.8 -7.0 11.1 57 199 A N H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.945 113.5 42.6 -57.8 -49.3 -26.4 -8.3 7.6 58 200 A R H X S+ 0 0 92 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.931 114.2 50.1 -63.5 -44.9 -29.5 -10.2 8.6 59 201 A V H X S+ 0 0 6 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.908 112.5 47.2 -64.3 -45.2 -31.0 -7.4 10.8 60 202 A L H >< S+ 0 0 5 -4,-2.8 3,-0.7 -5,-0.2 11,-0.4 0.928 113.9 47.9 -59.5 -46.0 -30.5 -4.8 8.0 61 203 A Q H 3< S+ 0 0 50 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.842 115.6 44.3 -64.7 -32.9 -32.1 -7.1 5.4 62 204 A N H 3< S+ 0 0 106 -4,-2.2 2,-0.3 -5,-0.1 -1,-0.2 0.527 102.4 81.3 -91.4 -7.2 -35.1 -7.9 7.7 63 205 A S << + 0 0 17 -4,-0.9 2,-0.3 -3,-0.7 59,-0.0 -0.781 41.7 172.4-113.4 145.1 -35.8 -4.4 8.9 64 206 A R + 0 0 154 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.876 25.3 136.6-149.1 106.1 -37.7 -1.4 7.5 65 207 A H > - 0 0 8 3,-0.4 3,-1.7 -2,-0.3 53,-0.0 -0.977 58.4-117.0-153.0 145.8 -38.2 1.6 9.7 66 208 A P T 3 S+ 0 0 9 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.769 115.0 40.4 -50.2 -36.1 -38.0 5.5 9.3 67 209 A F T 3 S+ 0 0 0 47,-0.1 81,-2.5 80,-0.1 2,-0.4 0.231 98.4 86.8-107.4 11.7 -35.2 5.7 12.0 68 210 A L B < S-f 148 0B 3 -3,-1.7 -3,-0.4 79,-0.2 81,-0.1 -0.946 87.4-105.3-108.1 134.2 -33.1 2.6 11.0 69 211 A T - 0 0 6 79,-2.1 2,-0.3 -2,-0.4 -2,-0.1 -0.324 37.7-131.6 -50.9 130.0 -30.4 2.8 8.4 70 212 A A - 0 0 39 -4,-0.1 16,-2.4 -6,-0.1 2,-0.5 -0.696 8.9-137.7 -91.1 138.1 -31.6 1.1 5.1 71 213 A L E +D 85 0A 10 -11,-0.4 14,-0.2 -2,-0.3 3,-0.1 -0.853 21.7 175.8 -95.0 125.0 -29.4 -1.4 3.3 72 214 A K E + 0 0 58 12,-2.7 258,-2.7 -2,-0.5 2,-0.3 0.871 68.4 0.9 -90.1 -52.0 -29.4 -1.1 -0.5 73 215 A Y E -DE 84 329A 15 11,-1.6 11,-3.1 256,-0.2 2,-0.4 -0.992 51.2-173.0-136.9 145.3 -26.8 -3.8 -1.4 74 216 A S E +DE 83 328A 1 254,-2.1 254,-2.1 -2,-0.3 2,-0.3 -0.985 27.0 144.4-132.3 133.9 -24.7 -6.3 0.4 75 217 A F E -DE 82 327A 14 7,-2.1 7,-2.9 -2,-0.4 2,-0.3 -0.940 29.5-135.3-153.9 172.9 -22.1 -8.3 -1.5 76 218 A Q E -D 81 0A 34 250,-0.6 2,-0.2 -2,-0.3 5,-0.2 -0.945 5.3-161.5-137.6 157.3 -18.6 -9.9 -1.2 77 219 A T - 0 0 29 3,-2.5 236,-0.0 -2,-0.3 5,-0.0 -0.630 53.0 -84.1-116.3-175.1 -15.3 -10.3 -3.0 78 220 A H S S+ 0 0 84 -2,-0.2 3,-0.0 1,-0.2 235,-0.0 0.839 128.4 19.9 -63.1 -30.2 -12.7 -12.9 -2.3 79 221 A D S S+ 0 0 40 -38,-0.1 -38,-2.3 1,-0.1 -37,-0.4 0.544 120.1 52.8-116.9 -7.5 -11.2 -10.7 0.4 80 222 A R E -C 40 0A 21 -40,-0.2 -3,-2.5 -39,-0.1 2,-0.4 -0.914 54.5-145.4-135.0 154.9 -14.0 -8.2 1.5 81 223 A L E -CD 39 76A 0 -42,-2.5 -42,-2.6 -2,-0.3 2,-0.4 -0.971 23.1-161.2-111.2 137.6 -17.5 -7.7 2.6 82 224 A C E -CD 38 75A 0 -7,-2.9 -7,-2.1 -2,-0.4 2,-0.5 -0.979 11.8-173.9-125.4 124.0 -19.4 -4.6 1.3 83 225 A F E -CD 37 74A 0 -46,-2.3 -46,-2.8 -2,-0.4 2,-0.7 -0.980 10.0-161.1-114.8 114.5 -22.6 -3.1 2.8 84 226 A V E +CD 36 73A 0 -11,-3.1 -12,-2.7 -2,-0.5 -11,-1.6 -0.893 25.4 168.9 -98.8 111.6 -24.0 -0.2 0.7 85 227 A M E -CD 35 71A 18 -50,-3.1 -50,-2.8 -2,-0.7 -14,-0.2 -0.789 42.6 -77.2-123.7 160.3 -26.3 1.7 3.0 86 228 A E - 0 0 99 -16,-2.4 2,-0.5 -2,-0.3 -52,-0.2 -0.407 52.2-119.5 -55.9 130.5 -28.1 5.0 3.0 87 229 A Y - 0 0 16 -54,-0.5 2,-1.3 -2,-0.1 55,-0.3 -0.641 13.0-146.1 -77.7 121.2 -25.7 7.9 3.8 88 230 A A > - 0 0 6 -2,-0.5 3,-1.9 1,-0.2 52,-0.3 -0.723 17.3-173.3 -88.0 90.8 -26.6 9.8 6.9 89 231 A N T 3 S+ 0 0 6 -2,-1.3 206,-0.4 1,-0.3 52,-0.2 0.701 73.6 66.2 -62.1 -25.2 -25.4 13.3 5.7 90 232 A G T 3 S- 0 0 0 50,-2.1 -1,-0.3 1,-0.2 51,-0.2 0.486 97.0-138.8 -80.7 -2.9 -26.0 14.9 9.2 91 233 A G E < -G 140 0B 0 -3,-1.9 49,-1.7 49,-0.5 -1,-0.2 -0.073 36.5 -34.9 80.5-178.4 -23.2 12.9 11.0 92 234 A E E > -G 139 0B 64 203,-0.5 4,-1.4 47,-0.2 3,-0.4 -0.508 43.2-129.3 -77.4 145.5 -23.1 11.3 14.4 93 235 A L H > S+ 0 0 0 45,-3.2 4,-2.9 42,-0.8 5,-0.3 0.832 112.5 65.7 -57.2 -30.2 -24.8 12.8 17.4 94 236 A F H > S+ 0 0 86 41,-1.3 4,-2.1 44,-0.3 -1,-0.2 0.903 98.7 51.2 -54.0 -46.0 -21.4 12.3 19.0 95 237 A F H > S+ 0 0 24 -3,-0.4 4,-1.1 40,-0.2 -1,-0.2 0.927 114.3 42.6 -57.8 -48.8 -20.0 14.9 16.6 96 238 A H H X S+ 0 0 7 -4,-1.4 4,-2.6 2,-0.2 3,-0.5 0.938 114.3 47.7 -68.5 -46.0 -22.7 17.5 17.4 97 239 A L H X S+ 0 0 15 -4,-2.9 4,-2.2 1,-0.3 -1,-0.2 0.840 106.4 59.9 -68.1 -31.8 -22.7 17.0 21.2 98 240 A S H < S+ 0 0 72 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.854 115.3 34.8 -57.6 -39.3 -18.9 17.2 21.2 99 241 A R H < S+ 0 0 147 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.820 125.8 38.3 -87.5 -33.5 -19.1 20.7 19.7 100 242 A E H < S- 0 0 80 -4,-2.6 2,-2.2 -5,-0.1 -3,-0.2 0.556 84.8-149.4 -96.6 -15.6 -22.3 22.0 21.5 101 243 A R S < S+ 0 0 164 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.1 -0.337 72.5 19.7 76.0 -56.7 -21.8 20.4 24.9 102 244 A V - 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