==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUL-10 3NY5 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE B-RAF; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.VOROBIEV,M.SU,J.SEETHARAMAN,P.PATEL,R.XIAO,C.CICCOSANTI,R. . 323 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 24.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 1 0.3 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 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 3 1 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 4 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 . 6 1 2 1 4 4 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 . 0 0 0 4 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 1 151 A H 0 0 99 0, 0.0 66,-0.0 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 165.6 5.8 62.3 54.6 2 152 A X + 0 0 183 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.843 360.0 35.8 -54.9 -32.6 7.8 64.8 56.6 3 153 A Q S S+ 0 0 150 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.869 129.0 27.8 -89.7 -44.3 4.7 65.6 58.6 4 154 A K S S- 0 0 154 2,-0.0 2,-0.4 16,-0.0 -1,-0.2 -0.770 71.7-163.7-131.3 81.2 3.0 62.3 58.9 5 155 A P + 0 0 52 0, 0.0 16,-2.6 0, 0.0 2,-0.3 -0.554 24.4 168.0 -68.2 119.3 5.4 59.3 58.7 6 156 A I E -A 20 0A 58 -2,-0.4 61,-2.6 14,-0.3 2,-0.4 -0.832 31.9-140.1-129.7 168.2 3.4 56.1 58.0 7 157 A V E -A 19 0A 0 12,-2.8 12,-2.5 -2,-0.3 2,-0.5 -1.000 18.3-139.5-127.5 133.8 3.8 52.5 56.9 8 158 A R E -Ab 18 69A 105 60,-1.8 62,-2.6 -2,-0.4 2,-0.5 -0.795 21.1-163.2 -89.0 131.7 1.4 50.8 54.5 9 159 A V E -Ab 17 70A 1 8,-3.3 8,-2.3 -2,-0.5 2,-0.4 -0.957 11.2-152.2-126.5 124.3 0.6 47.3 55.4 10 160 A F E -Ab 16 71A 59 60,-2.7 62,-2.6 -2,-0.5 6,-0.3 -0.795 21.9-163.1 -92.6 133.7 -0.9 44.6 53.2 11 161 A L E > -A 15 0A 10 4,-3.4 4,-1.0 -2,-0.4 3,-0.4 -0.655 28.8 -74.5-115.0 162.9 -3.0 42.1 55.1 12 162 A P T >4 S+ 0 0 24 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 -0.133 111.2 29.8 -49.6 151.3 -4.4 38.5 54.4 13 163 A N T 34 S- 0 0 143 1,-0.2 3,-0.1 2,-0.0 -2,-0.0 0.855 133.9 -63.1 65.9 36.1 -7.4 38.3 52.1 14 164 A K T 34 S+ 0 0 202 -3,-0.4 -1,-0.2 1,-0.2 2,-0.2 0.758 100.0 137.2 64.8 25.3 -6.6 41.3 50.0 15 165 A Q E << -A 11 0A 87 -4,-1.0 -4,-3.4 -3,-0.8 2,-0.3 -0.545 30.2-171.7-100.4 169.6 -7.0 43.7 52.9 16 166 A R E -A 10 0A 176 -6,-0.3 2,-0.3 -2,-0.2 -6,-0.2 -0.989 10.9-176.6-156.4 159.4 -4.8 46.7 54.0 17 167 A T E -A 9 0A 41 -8,-2.3 -8,-3.3 -2,-0.3 2,-0.4 -0.989 20.0-134.0-151.3 161.3 -4.1 49.2 56.6 18 168 A V E -A 8 0A 83 -2,-0.3 -10,-0.2 -10,-0.2 -2,-0.0 -0.948 24.0-173.5-115.0 138.7 -1.9 52.2 57.3 19 169 A V E -A 7 0A 11 -12,-2.5 -12,-2.8 -2,-0.4 2,-0.1 -0.959 30.5-102.1-127.6 154.1 -0.2 52.6 60.6 20 170 A P E -A 6 0A 75 0, 0.0 2,-1.4 0, 0.0 -14,-0.3 -0.437 25.4-131.7 -69.2 142.5 1.9 55.5 62.1 21 171 A A + 0 0 7 -16,-2.6 2,-0.4 -2,-0.1 45,-0.1 -0.602 41.2 178.3 -96.6 71.8 5.6 55.0 62.0 22 172 A R > - 0 0 118 -2,-1.4 3,-2.1 4,-0.1 41,-0.6 -0.607 32.6-111.9 -85.7 130.9 6.2 56.0 65.6 23 173 A C T 3 S+ 0 0 90 -2,-0.4 170,-0.2 1,-0.3 3,-0.1 -0.269 101.9 16.2 -58.3 139.3 9.6 55.9 67.3 24 174 A G T 3 S+ 0 0 5 1,-0.2 2,-0.5 168,-0.1 -1,-0.3 0.479 95.2 119.4 79.7 2.0 9.8 53.2 69.9 25 175 A V < - 0 0 16 -3,-2.1 37,-2.7 166,-0.1 38,-0.3 -0.880 59.1-131.6-103.6 125.4 6.7 51.3 68.8 26 176 A T B > -E 61 0B 14 -2,-0.5 4,-2.5 35,-0.2 35,-0.2 -0.348 19.1-119.4 -65.7 157.4 7.2 47.6 67.6 27 177 A V H > S+ 0 0 0 33,-1.4 4,-1.9 31,-0.6 32,-0.2 0.879 117.1 58.6 -57.3 -41.7 5.7 46.3 64.4 28 178 A R H > S+ 0 0 63 30,-2.1 4,-1.2 1,-0.2 3,-0.3 0.947 110.2 39.6 -54.0 -55.8 3.8 43.9 66.7 29 179 A D H 4 S+ 0 0 80 29,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.857 112.0 58.1 -65.9 -35.5 2.1 46.7 68.6 30 180 A S H < S+ 0 0 24 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.846 118.7 30.5 -58.9 -34.9 1.6 48.8 65.5 31 181 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 -3,-0.3 5,-0.2 0.486 88.3 101.4-106.5 -6.2 -0.4 46.1 63.9 32 182 A K H X S+ 0 0 102 -4,-1.2 4,-2.7 1,-0.2 5,-0.2 0.892 88.4 42.9 -45.4 -49.9 -2.1 44.4 67.0 33 183 A K H > S+ 0 0 165 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.933 112.3 50.5 -68.0 -49.1 -5.4 46.1 66.5 34 184 A A H 4 S+ 0 0 10 -4,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.887 115.0 46.4 -54.6 -39.6 -5.6 45.7 62.7 35 185 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 3,-1.8 0.951 110.8 50.3 -69.4 -49.8 -4.8 42.0 63.2 36 186 A X H ><5S+ 0 0 116 -4,-2.7 3,-2.2 1,-0.3 -2,-0.2 0.880 102.4 61.5 -57.1 -39.8 -7.3 41.5 66.0 37 187 A X T 3<5S+ 0 0 145 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.701 110.5 41.8 -57.8 -19.3 -10.1 43.1 64.0 38 188 A R T < 5S- 0 0 68 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.209 122.4-105.7-114.9 13.9 -9.6 40.3 61.5 39 189 A G T < 5S+ 0 0 61 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.766 80.4 126.4 65.9 28.7 -9.2 37.6 64.1 40 190 A L < - 0 0 24 -5,-2.9 -1,-0.2 -8,-0.1 -2,-0.2 -0.776 43.2-157.5-110.8 158.1 -5.4 37.3 63.6 41 191 A I > - 0 0 70 -2,-0.3 3,-2.3 -3,-0.1 4,-0.2 -0.990 27.3-121.8-132.5 148.1 -2.6 37.5 66.1 42 192 A P G > S+ 0 0 9 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.857 110.5 62.5 -54.3 -35.2 1.0 38.4 65.4 43 193 A E G 3 S+ 0 0 112 1,-0.3 15,-0.0 -3,-0.1 -3,-0.0 0.654 105.2 46.4 -69.2 -10.0 2.2 35.0 66.8 44 194 A C G < S+ 0 0 45 -3,-2.3 31,-3.6 97,-0.0 2,-0.3 0.252 112.6 61.6-111.2 12.0 0.2 33.2 64.1 45 195 A C E < -C 74 0A 4 -3,-1.9 2,-0.3 29,-0.3 29,-0.3 -0.877 66.5-140.4-136.5 160.4 1.6 35.4 61.3 46 196 A A E -C 73 0A 18 27,-3.1 27,-2.5 -2,-0.3 2,-0.4 -0.914 16.7-150.3-115.8 149.9 4.8 36.5 59.6 47 197 A V E -CD 72 56A 2 9,-0.6 9,-2.7 -2,-0.3 2,-0.3 -0.953 15.1-179.1-122.4 145.6 5.6 40.0 58.5 48 198 A Y E -CD 71 55A 13 23,-2.7 23,-2.7 -2,-0.4 2,-0.2 -0.978 17.3-143.7-138.1 154.9 7.8 41.0 55.6 49 199 A R E -CD 70 54A 40 5,-2.9 5,-2.0 -2,-0.3 2,-0.5 -0.584 24.7-119.8-104.3 171.8 9.0 44.1 53.9 50 200 A I 0 0 75 19,-0.9 19,-0.3 1,-0.2 -2,-0.0 -0.987 360.0 360.0-116.4 127.7 9.6 44.6 50.2 51 201 A Q 0 0 88 -2,-0.5 -1,-0.2 17,-0.1 17,-0.0 0.814 360.0 360.0 88.4 360.0 13.2 45.4 49.2 52 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 53 205 A K 0 0 87 0, 0.0 -3,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 48.1 10.0 39.0 50.0 54 206 A K E -D 49 0A 94 -5,-2.0 -5,-2.9 105,-0.0 2,-0.2 -0.907 360.0-134.5-113.6 119.1 12.2 39.8 53.1 55 207 A P E -D 48 0A 5 0, 0.0 105,-2.8 0, 0.0 2,-0.3 -0.405 20.4-167.0 -73.3 142.2 11.2 38.7 56.5 56 208 A I E -D 47 0A 6 -9,-2.7 -9,-0.6 103,-0.2 2,-0.1 -0.918 25.4-103.4-130.2 155.1 11.3 41.1 59.5 57 209 A G > - 0 0 14 -2,-0.3 3,-1.2 103,-0.3 -30,-0.2 -0.366 21.5-130.0 -73.8 146.7 11.1 40.5 63.2 58 210 A W T 3 S+ 0 0 32 1,-0.2 -30,-2.1 -31,-0.1 -31,-0.6 0.823 107.9 57.6 -65.7 -27.3 7.8 41.4 65.0 59 211 A D T 3 S+ 0 0 74 -33,-0.2 106,-1.3 -32,-0.2 -1,-0.2 0.443 78.3 127.3 -89.6 3.7 9.8 43.3 67.6 60 212 A T B < S-F 164 0C 3 -3,-1.2 -33,-1.4 104,-0.2 2,-0.7 -0.227 72.5-107.4 -49.3 140.5 11.4 45.6 65.0 61 213 A D B > -E 26 0B 12 102,-2.9 3,-1.5 -35,-0.2 4,-0.3 -0.679 26.1-148.1 -75.8 115.7 11.0 49.4 65.7 62 214 A I G > S+ 0 0 0 -37,-2.7 3,-1.8 -2,-0.7 -1,-0.2 0.736 88.8 72.8 -57.6 -26.0 8.4 50.5 63.1 63 215 A S G > S+ 0 0 23 -41,-0.6 3,-1.1 -38,-0.3 -1,-0.3 0.808 88.3 63.7 -63.9 -26.5 9.9 54.0 62.7 64 216 A W G < S+ 0 0 160 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.700 101.8 51.9 -64.9 -18.0 12.9 52.5 60.8 65 217 A L G X S+ 0 0 0 -3,-1.8 3,-2.7 -4,-0.3 -1,-0.2 0.213 74.0 147.1-106.8 7.1 10.4 51.4 58.1 66 218 A T T < S+ 0 0 60 -3,-1.1 -59,-0.2 1,-0.3 3,-0.1 -0.237 73.7 18.8 -46.5 129.1 8.7 54.7 57.4 67 219 A G T 3 S+ 0 0 52 -61,-2.6 -1,-0.3 1,-0.3 -60,-0.1 0.093 104.5 113.7 94.2 -22.0 7.7 54.9 53.8 68 220 A E < - 0 0 50 -3,-2.7 -60,-1.8 -62,-0.1 2,-0.5 -0.185 64.1-123.6 -80.9 168.3 7.9 51.2 53.3 69 221 A E E -b 8 0A 52 -19,-0.3 -19,-0.9 -62,-0.2 2,-0.3 -0.977 24.9-166.8-109.5 128.7 5.3 48.5 52.5 70 222 A L E -bC 9 49A 0 -62,-2.6 -60,-2.7 -2,-0.5 2,-0.4 -0.789 5.8-152.6-107.0 158.5 5.0 45.5 54.8 71 223 A H E -bC 10 48A 57 -23,-2.7 -23,-2.7 -2,-0.3 2,-0.5 -0.997 3.0-156.1-130.1 139.9 3.1 42.4 54.1 72 224 A V E - C 0 47A 5 -62,-2.6 2,-0.3 -2,-0.4 -25,-0.2 -0.962 13.6-178.0-118.4 127.2 1.5 40.1 56.8 73 225 A E E - C 0 46A 79 -27,-2.5 -27,-3.1 -2,-0.5 2,-0.2 -0.945 30.4-112.6-121.5 147.0 0.9 36.5 56.0 74 226 A V E - C 0 45A 65 -2,-0.3 -29,-0.3 -29,-0.3 3,-0.1 -0.520 40.0-109.7 -74.1 139.7 -0.7 33.8 58.2 75 227 A L - 0 0 39 -31,-3.6 65,-0.2 -2,-0.2 -1,-0.1 -0.386 44.1 -86.4 -65.0 150.0 1.8 31.1 59.3 76 228 A E - 0 0 49 63,-2.8 2,-1.4 1,-0.1 65,-0.3 -0.294 44.8-112.5 -53.2 139.9 1.4 27.6 57.8 77 229 A N + 0 0 163 -3,-0.1 -1,-0.1 63,-0.1 63,-0.0 -0.669 64.0 138.8 -86.0 90.3 -1.1 25.6 59.8 78 230 A V - 0 0 16 -2,-1.4 63,-0.1 71,-0.0 67,-0.0 -0.999 57.3 -99.8-133.9 134.6 1.1 22.9 61.4 79 231 A P - 0 0 61 0, 0.0 66,-2.7 0, 0.0 69,-0.2 -0.204 32.4-128.6 -57.4 142.9 0.7 21.7 65.0 80 232 A L B G 144 0D 118 64,-0.3 64,-0.2 1,-0.1 27,-0.0 -0.409 360.0 360.0 -82.3 163.2 3.1 23.1 67.6 81 233 A T 0 0 98 62,-1.9 -1,-0.1 -2,-0.1 63,-0.1 0.998 360.0 360.0 -66.4 360.0 4.9 20.7 70.0 82 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 83 150 B S >> 0 0 129 0, 0.0 4,-1.3 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -68.9 13.0 5.5 52.5 84 151 B H T 34 + 0 0 62 1,-0.2 66,-0.0 2,-0.2 67,-0.0 0.581 360.0 87.5 -68.5 -14.2 11.6 7.6 55.2 85 152 B X T 34 S+ 0 0 167 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.931 106.4 20.9 -56.9 -44.5 9.8 4.6 56.7 86 153 B Q T <4 S+ 0 0 138 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.830 139.8 29.0 -89.9 -36.2 12.8 3.7 58.7 87 154 B K S < S- 0 0 157 -4,-1.3 2,-0.3 2,-0.0 -1,-0.2 -0.684 71.3-167.6-134.4 77.9 14.6 7.1 58.8 88 155 B P + 0 0 50 0, 0.0 16,-2.5 0, 0.0 2,-0.3 -0.518 22.1 167.0 -66.0 123.4 12.2 10.1 58.6 89 156 B I E -H 103 0E 45 -2,-0.3 62,-2.5 14,-0.3 2,-0.4 -0.876 31.8-139.7-136.2 166.5 14.2 13.3 57.9 90 157 B V E -H 102 0E 0 12,-2.5 12,-2.5 -2,-0.3 2,-0.5 -0.996 19.2-137.7-128.3 134.7 13.7 16.9 56.8 91 158 B R E -Hi 101 153E 110 61,-1.8 63,-3.0 -2,-0.4 2,-0.5 -0.784 21.8-162.5 -89.7 132.9 16.1 18.6 54.4 92 159 B V E -Hi 100 154E 1 8,-3.2 8,-2.2 -2,-0.5 2,-0.5 -0.953 10.8-153.0-126.3 123.4 17.0 22.1 55.4 93 160 B F E -Hi 99 155E 59 61,-3.1 63,-2.6 -2,-0.5 6,-0.3 -0.791 21.4-164.1 -91.8 136.3 18.5 24.8 53.3 94 161 B L E > -H 98 0E 11 4,-3.1 4,-0.9 -2,-0.5 3,-0.3 -0.621 28.6 -74.5-118.4 165.8 20.5 27.4 55.2 95 162 B P T >4 S+ 0 0 35 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 -0.130 110.5 30.3 -54.5 156.2 22.0 30.9 54.5 96 163 B N T 34 S- 0 0 141 1,-0.3 -2,-0.0 2,-0.0 0, 0.0 0.874 134.8 -62.4 60.2 43.5 25.0 31.2 52.2 97 164 B K T 34 S+ 0 0 198 -3,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.732 100.3 138.1 59.7 27.2 24.2 28.2 50.1 98 165 B Q E << -H 94 0E 77 -3,-1.0 -4,-3.1 -4,-0.9 2,-0.3 -0.511 29.3-172.8 -99.8 172.8 24.5 25.7 53.0 99 166 B R E -H 93 0E 176 -6,-0.3 2,-0.3 -2,-0.2 -6,-0.2 -0.988 10.2-176.8-160.4 163.3 22.4 22.8 54.0 100 167 B T E -H 92 0E 38 -8,-2.2 -8,-3.2 -2,-0.3 2,-0.4 -0.983 20.5-132.0-158.2 158.2 21.7 20.2 56.6 101 168 B V E -H 91 0E 84 -2,-0.3 -10,-0.2 -10,-0.2 -2,-0.0 -0.949 23.8-170.8-114.8 139.0 19.5 17.1 57.3 102 169 B V E -H 90 0E 7 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.1 -0.947 29.6-104.5-128.1 153.6 17.7 16.8 60.6 103 170 B P E -H 89 0E 74 0, 0.0 2,-1.1 0, 0.0 -14,-0.3 -0.467 24.7-138.1 -69.6 138.6 15.7 13.8 62.1 104 171 B A + 0 0 5 -16,-2.5 2,-0.4 -2,-0.1 46,-0.1 -0.561 38.2 171.6 -98.5 72.2 12.0 14.4 61.9 105 172 B R > - 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