==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-MAR-07 2UWF . COMPND 2 MOLECULE: ALKALINE ACTIVE ENDOXYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR G.MAMO,M.THUNNISSEN,R.HATTI-KAUL, B.MATTIASSON . 356 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.8 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 18 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 0 1 1 0 1 1 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 6 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 . 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 11 A N 0 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.2 8.4 -13.5 66.6 2 12 A Q - 0 0 61 339,-0.2 340,-0.0 1,-0.1 0, 0.0 -0.242 360.0-105.1 -80.8 155.3 8.2 -9.8 66.3 3 13 A P - 0 0 41 0, 0.0 338,-2.7 0, 0.0 2,-0.2 -0.197 41.5 -94.4 -68.6 165.6 5.3 -7.6 66.9 4 14 A F B > -A 340 0A 51 336,-0.3 3,-2.9 1,-0.1 336,-0.3 -0.514 34.0-109.8 -79.4 149.1 3.3 -5.9 64.2 5 15 A A G > S+ 0 0 0 334,-2.8 3,-0.9 1,-0.3 335,-0.1 0.721 118.6 58.3 -50.7 -30.7 4.1 -2.4 63.1 6 16 A W G 3 S+ 0 0 42 1,-0.2 -1,-0.3 333,-0.2 4,-0.1 0.576 101.4 58.7 -76.5 -7.1 0.9 -1.0 64.6 7 17 A Q G < S+ 0 0 113 -3,-2.9 2,-0.3 2,-0.1 -1,-0.2 0.345 98.1 69.3-104.7 6.2 2.0 -2.4 68.0 8 18 A V S < S- 0 0 13 -3,-0.9 -4,-0.0 -4,-0.2 0, 0.0 -0.778 92.2 -74.0-127.3 166.4 5.3 -0.5 68.3 9 19 A A - 0 0 65 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.215 58.2 -96.2 -62.3 146.4 6.4 3.1 68.9 10 20 A S > - 0 0 10 1,-0.1 4,-1.6 -4,-0.1 31,-0.2 -0.401 18.2-152.0 -67.4 132.5 6.1 5.6 65.9 11 21 A L H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 31,-0.1 0.900 97.2 55.0 -65.9 -43.9 9.1 6.3 63.6 12 22 A S H 4 S+ 0 0 10 29,-1.2 -1,-0.2 1,-0.2 7,-0.2 0.866 108.3 48.8 -63.5 -35.2 7.9 9.9 62.8 13 23 A E H >4 S+ 0 0 136 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.881 104.5 58.8 -72.2 -37.5 7.8 10.7 66.5 14 24 A R H 3< S+ 0 0 46 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.907 114.0 38.6 -54.2 -39.0 11.3 9.4 67.1 15 25 A Y T >X S+ 0 0 8 -4,-1.7 4,-2.3 4,-0.1 3,-2.2 0.234 81.5 142.7-104.0 17.5 12.5 11.9 64.5 16 26 A Q T <4 S+ 0 0 102 -3,-1.1 4,-0.1 1,-0.3 -3,-0.1 -0.304 76.1 15.7 -51.4 132.7 10.3 14.9 65.4 17 27 A E T 34 S+ 0 0 199 1,-0.1 -1,-0.3 281,-0.0 3,-0.1 0.415 123.7 64.7 76.5 -1.0 12.3 18.1 65.1 18 28 A Q T <4 S- 0 0 49 -3,-2.2 2,-0.3 1,-0.3 283,-0.2 0.711 116.2 -37.4-110.8 -54.6 15.0 16.3 63.0 19 29 A F < - 0 0 7 -4,-2.3 -1,-0.3 -7,-0.2 284,-0.3 -0.945 57.8 -98.6-168.7 149.7 13.1 15.3 59.9 20 30 A D E -b 303 0B 43 282,-2.0 284,-2.5 -2,-0.3 2,-0.5 -0.317 31.8-136.1 -64.7 154.1 9.7 14.0 58.6 21 31 A I E -b 304 0B 1 282,-0.2 22,-2.6 284,-0.1 23,-1.0 -0.979 32.0-179.9-120.0 113.6 9.4 10.3 58.0 22 32 A G E -bc 305 44B 0 282,-2.6 284,-2.6 -2,-0.5 2,-0.3 -0.686 19.1-156.3-115.0 163.3 7.5 9.6 54.8 23 33 A A E -bc 306 45B 0 21,-1.4 23,-1.3 282,-0.2 2,-0.4 -0.994 21.4-124.8-134.5 145.3 6.3 6.7 52.6 24 34 A A E + c 0 46B 0 282,-1.6 2,-0.3 -2,-0.3 23,-0.2 -0.747 42.5 179.2 -82.3 135.5 5.5 6.3 48.9 25 35 A V E - c 0 47B 0 21,-2.3 23,-2.4 -2,-0.4 24,-0.5 -0.903 29.8-136.7-138.0 160.4 1.9 5.0 48.4 26 36 A E > - 0 0 26 -2,-0.3 3,-2.1 21,-0.2 4,-0.2 -0.883 36.9-111.3-110.8 151.7 -0.8 3.9 45.9 27 37 A P G > S+ 0 0 25 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.839 115.9 57.3 -49.7 -37.7 -4.5 4.9 46.4 28 38 A Y G 3 S+ 0 0 152 1,-0.3 3,-0.2 2,-0.1 39,-0.0 0.544 96.5 62.9 -75.7 -9.6 -5.5 1.3 47.1 29 39 A Q G < S+ 0 0 2 -3,-2.1 -1,-0.3 1,-0.2 2,-0.2 0.382 76.3 93.8 -87.8 3.2 -3.1 1.0 50.0 30 40 A L S < S+ 0 0 12 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.2 -0.069 78.7 66.7 -92.0 35.8 -5.0 3.7 51.9 31 41 A E S >> S+ 0 0 138 -3,-0.2 4,-1.2 -2,-0.2 3,-0.7 -0.937 90.3 1.2-144.6 163.9 -7.1 1.2 53.7 32 42 A G H 3> S- 0 0 58 -2,-0.3 4,-1.8 1,-0.2 3,-0.1 -0.145 119.6 -12.5 62.5-144.5 -6.7 -1.5 56.4 33 43 A R H 3> S+ 0 0 125 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.822 134.6 54.8 -63.6 -35.8 -3.4 -2.3 58.0 34 44 A Q H <> S+ 0 0 30 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.902 110.1 47.3 -68.4 -40.5 -1.3 -0.3 55.5 35 45 A A H X S+ 0 0 5 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.861 112.8 50.4 -60.7 -38.3 -3.4 2.8 56.3 36 46 A Q H X S+ 0 0 68 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.924 109.7 49.6 -66.6 -46.1 -3.0 2.0 60.0 37 47 A I H X S+ 0 0 1 -4,-3.1 4,-2.6 2,-0.2 5,-0.4 0.931 109.5 53.3 -55.8 -47.1 0.8 1.7 59.5 38 48 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.924 111.5 43.2 -56.2 -51.9 0.8 5.1 57.7 39 49 A K H < S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 117.8 46.7 -61.8 -37.2 -1.0 7.0 60.4 40 50 A H H < S+ 0 0 64 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.863 128.7 18.1 -75.4 -35.2 1.0 5.3 63.2 41 51 A H H < S+ 0 0 0 -4,-2.6 -29,-1.2 -31,-0.2 2,-0.3 0.636 110.7 62.5-117.4 -21.3 4.5 5.7 61.7 42 52 A Y < - 0 0 7 -4,-2.5 -20,-0.2 -5,-0.4 3,-0.1 -0.849 35.8-179.7-118.3 146.0 4.6 8.4 58.9 43 53 A N S S+ 0 0 30 -22,-2.6 38,-2.5 -2,-0.3 2,-0.3 0.217 75.6 51.8-120.9 16.9 4.0 12.1 58.9 44 54 A S E -cd 22 81B 1 -23,-1.0 -21,-1.4 36,-0.3 2,-0.3 -0.988 61.5-170.4-155.4 156.9 4.7 12.5 55.2 45 55 A L E -cd 23 82B 0 36,-1.7 38,-2.9 -2,-0.3 2,-0.3 -0.939 8.8-174.6-151.4 154.7 3.5 11.0 51.9 46 56 A V E -cd 24 83B 0 -23,-1.3 -21,-2.3 -2,-0.3 2,-0.7 -0.968 35.4-108.0-154.3 147.7 4.2 10.8 48.2 47 57 A A E -c 25 0B 0 36,-0.6 4,-0.3 -2,-0.3 -21,-0.2 -0.761 18.7-154.8 -82.9 117.8 2.4 9.1 45.3 48 58 A E S S- 0 0 13 -23,-2.4 -1,-0.2 -2,-0.7 -22,-0.2 0.873 87.0 -19.3 -54.5 -43.8 4.4 6.1 44.1 49 59 A N S > S+ 0 0 48 -24,-0.5 3,-1.4 -3,-0.1 6,-0.3 0.556 113.9 89.5-138.0 -23.9 2.7 6.4 40.6 50 60 A A T 3 S+ 0 0 13 -25,-0.4 18,-0.4 1,-0.2 17,-0.1 0.616 95.3 40.9 -62.0 -16.4 -0.6 8.5 40.7 51 61 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.2 -4,-0.3 -3,-0.1 0.345 82.3 116.8-117.9 7.2 1.0 11.9 40.1 52 62 A K S X> S- 0 0 26 -3,-1.4 4,-2.0 1,-0.1 3,-1.0 -0.329 81.4-102.5 -73.9 159.7 3.6 11.1 37.4 53 63 A P H 3> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 40,-0.2 0.879 120.1 51.3 -56.8 -41.5 3.0 12.8 34.1 54 64 A V H 34 S+ 0 0 49 38,-2.2 39,-0.1 1,-0.2 38,-0.1 0.757 110.6 49.8 -64.4 -29.8 1.6 9.8 32.3 55 65 A S H <4 S+ 0 0 27 -3,-1.0 -1,-0.2 37,-0.3 9,-0.1 0.900 116.4 38.7 -76.4 -43.6 -0.9 9.2 35.1 56 66 A L H < S+ 0 0 0 -4,-2.0 8,-2.1 1,-0.2 -2,-0.2 0.813 132.3 18.5 -81.0 -36.8 -2.3 12.7 35.3 57 67 A Q < + 0 0 2 -4,-2.3 -1,-0.2 -5,-0.2 6,-0.2 -0.535 65.5 163.1-134.5 69.4 -2.4 13.8 31.6 58 68 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.775 77.4 16.7 -64.2 -28.4 -2.2 10.5 29.5 59 69 A R B > S-K 62 0C 153 3,-0.7 3,-2.2 -3,-0.1 2,-0.1 -0.931 109.8 -74.3-132.6 162.7 -3.5 12.3 26.4 60 70 A E T 3 S+ 0 0 84 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.364 117.7 0.6 -61.7 124.6 -3.5 16.1 25.8 61 71 A G T 3 S+ 0 0 57 1,-0.2 2,-0.6 -2,-0.1 -1,-0.3 0.541 100.8 115.7 73.0 9.1 -6.3 17.7 27.8 62 72 A E B < -K 59 0C 107 -3,-2.2 -3,-0.7 2,-0.0 2,-0.5 -0.952 49.2-167.6-106.4 112.9 -7.4 14.4 29.4 63 73 A W - 0 0 60 -2,-0.6 2,-0.7 -6,-0.2 -6,-0.2 -0.888 15.6-164.1-111.2 130.0 -6.8 14.8 33.1 64 74 A N + 0 0 75 -8,-2.1 4,-0.4 -2,-0.5 3,-0.2 -0.777 27.2 151.8-112.8 84.3 -6.9 11.8 35.5 65 75 A W > + 0 0 34 -2,-0.7 4,-3.1 1,-0.2 5,-0.2 0.686 43.0 93.1 -88.6 -18.3 -7.1 13.4 38.9 66 76 A E H > S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.828 89.4 39.3 -55.3 -48.3 -9.0 10.7 40.8 67 77 A G H > S+ 0 0 19 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.894 117.8 49.5 -69.2 -40.1 -6.0 8.7 42.3 68 78 A A H > S+ 0 0 0 -18,-0.4 4,-2.6 -4,-0.4 -2,-0.2 0.919 108.6 53.6 -61.2 -46.6 -4.0 11.8 43.1 69 79 A D H X S+ 0 0 34 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.857 104.3 55.7 -59.3 -39.8 -7.0 13.4 44.8 70 80 A K H X S+ 0 0 115 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.892 108.5 46.6 -60.3 -43.8 -7.4 10.3 47.0 71 81 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.936 114.1 49.2 -63.6 -45.5 -3.7 10.6 48.3 72 82 A V H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.905 109.9 51.0 -58.9 -44.3 -4.2 14.4 48.8 73 83 A E H X S+ 0 0 112 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.861 110.7 48.3 -63.6 -37.7 -7.5 13.8 50.7 74 84 A F H X S+ 0 0 21 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.855 111.1 50.5 -69.7 -38.8 -5.8 11.2 53.0 75 85 A A H X>S+ 0 0 7 -4,-2.2 5,-2.2 2,-0.2 4,-0.8 0.893 112.1 48.0 -65.4 -42.7 -2.9 13.7 53.7 76 86 A R H ><5S+ 0 0 157 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.946 113.6 47.0 -58.6 -47.0 -5.4 16.4 54.5 77 87 A K H 3<5S+ 0 0 166 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.835 120.7 35.8 -68.3 -34.8 -7.4 14.2 56.8 78 88 A H H 3<5S- 0 0 67 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.301 108.2-115.1-109.7 11.3 -4.4 12.8 58.7 79 89 A N T <<5 + 0 0 146 -4,-0.8 2,-0.4 -3,-0.7 -3,-0.2 0.949 60.2 152.8 59.6 53.8 -2.1 15.9 58.7 80 90 A M < - 0 0 16 -5,-2.2 -36,-0.3 -6,-0.1 -1,-0.2 -0.914 46.6-118.4-112.8 140.9 0.6 14.5 56.6 81 91 A E E -d 44 0B 78 -38,-2.5 -36,-1.7 -2,-0.4 2,-0.4 -0.432 29.6-145.6 -64.2 155.2 3.0 16.5 54.4 82 92 A L E -d 45 0B 1 58,-0.3 60,-2.5 -38,-0.2 61,-1.1 -0.995 9.8-162.0-130.9 123.3 2.7 15.6 50.8 83 93 A R E -de 46 143B 3 -38,-2.9 2,-0.6 -2,-0.4 -36,-0.6 -0.826 21.5-129.6 -96.9 147.3 5.6 15.6 48.3 84 94 A F E - e 0 144B 0 59,-2.9 61,-2.4 -2,-0.4 2,-0.5 -0.895 16.4-147.0-102.2 116.5 4.7 15.7 44.6 85 95 A H - 0 0 5 -2,-0.6 -34,-0.5 1,-0.2 -38,-0.1 -0.985 62.4 -5.2-118.2 113.7 6.4 13.0 42.4 86 96 A T + 0 0 0 -2,-0.5 -1,-0.2 59,-0.4 60,-0.2 0.668 36.9 163.3-152.9 153.7 6.9 14.2 39.6 87 97 A L S S+ 0 0 3 58,-2.4 2,-0.4 -3,-0.3 60,-0.2 0.894 89.4 18.0 -79.0 -40.1 6.4 17.2 37.3 88 98 A V E S+f 147 0B 2 58,-0.8 60,-1.7 57,-0.3 2,-0.3 -0.987 70.2 149.7-143.1 122.3 9.0 16.4 34.6 89 99 A W E -f 148 0B 34 -2,-0.4 60,-0.1 58,-0.2 61,-0.1 -0.991 45.6-135.8-154.3 142.0 10.7 13.1 33.9 90 100 A H S S+ 0 0 58 58,-0.5 3,-0.3 -2,-0.3 2,-0.3 0.733 95.6 61.3 -71.3 -22.7 12.1 11.3 30.8 91 101 A S S S+ 0 0 35 1,-0.2 -37,-0.1 57,-0.1 -2,-0.1 -0.689 104.9 18.5-101.2 155.6 10.4 8.1 32.1 92 102 A Q S S+ 0 0 85 -2,-0.3 -38,-2.2 1,-0.2 -37,-0.3 0.873 89.8 133.3 55.1 41.6 6.6 7.6 32.5 93 103 A V - 0 0 11 -3,-0.3 -1,-0.2 -40,-0.2 -5,-0.0 -0.982 62.3-108.6-123.5 131.0 5.8 10.6 30.3 94 104 A P > - 0 0 13 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.294 18.6-134.4 -61.9 143.1 3.2 10.3 27.5 95 105 A E G > S+ 0 0 95 1,-0.2 3,-1.8 2,-0.2 4,-0.2 0.734 95.7 81.1 -72.7 -18.4 4.6 10.3 24.0 96 106 A W G > S+ 0 0 41 -38,-0.3 3,-1.1 1,-0.3 -1,-0.2 0.805 82.2 66.8 -56.8 -28.1 2.0 12.9 22.8 97 107 A F G < S+ 0 0 2 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.846 102.6 45.1 -54.3 -37.1 4.3 15.5 24.3 98 108 A F G < S+ 0 0 1 -3,-1.8 8,-2.7 -4,-0.3 9,-0.5 0.149 92.7 91.1-106.1 18.8 7.0 14.8 21.7 99 109 A I B < -L 105 0D 43 -3,-1.1 6,-0.2 6,-0.2 5,-0.0 -0.951 69.6-132.8-111.8 131.6 4.9 14.7 18.5 100 110 A D > - 0 0 17 4,-2.6 3,-2.0 -2,-0.4 -2,-0.0 -0.094 36.2 -90.1 -74.9-179.3 4.3 17.9 16.4 101 111 A E T 3 S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.649 127.5 58.0 -72.5 -12.7 0.9 19.1 15.0 102 112 A N T 3 S- 0 0 133 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.420 120.5-106.6 -90.4 0.9 1.6 17.1 11.9 103 113 A G S < S+ 0 0 52 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.539 76.2 137.3 86.2 7.5 1.9 13.8 13.8 104 114 A N - 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