==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-10 3PZQ . COMPND 2 MOLECULE: MANNAN ENDO-1,4-BETA-MANNOSIDASE. GLYCOSYL HYDROL . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA PETROPHILA RKU-1; . AUTHOR C.R.SANTOS,A.N.MEZA,J.H.PAIVA,J.C.SILVA,R.RULLER,R.A.PRADE, . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.3 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 . 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 . 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 . 16 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 0 1 0 1 1 0 0 0 1 0 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 2 2 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 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 37 A F 0 0 145 0, 0.0 2,-0.3 0, 0.0 356,-0.0 0.000 360.0 360.0 360.0 99.9 15.0 -0.1 17.6 2 38 A R + 0 0 65 308,-0.0 2,-0.3 2,-0.0 308,-0.2 -0.920 360.0 170.5-118.0 148.0 15.2 3.1 15.4 3 39 A F E -a 310 0A 2 306,-1.9 308,-1.9 -2,-0.3 2,-0.5 -0.983 42.8-118.5-155.6 163.7 12.2 4.3 13.5 4 40 A I E +a 311 0A 2 26,-0.4 28,-2.1 -2,-0.3 29,-0.7 -0.903 48.0 169.6-100.2 132.0 10.2 6.7 11.4 5 41 A G E -ab 312 33A 0 306,-2.2 308,-1.8 -2,-0.5 2,-0.3 -0.710 17.9-158.0-131.5-175.9 7.1 7.7 13.4 6 42 A S E -ab 313 34A 0 27,-2.0 29,-2.6 306,-0.3 2,-0.3 -0.871 15.0-116.9-153.3-175.3 4.2 10.2 13.2 7 43 A N E + b 0 35A 0 306,-0.7 309,-2.5 -2,-0.3 308,-0.4 -0.954 21.8 173.7-128.9 145.1 1.6 11.9 15.4 8 44 A N - 0 0 0 27,-2.5 29,-0.5 -2,-0.3 3,-0.4 -0.848 10.0-170.2-154.1 126.5 -2.2 11.8 15.3 9 45 A Y S S+ 0 0 39 -2,-0.3 3,-0.3 27,-0.2 27,-0.1 0.381 75.9 63.4 -98.0 4.2 -4.3 13.6 17.9 10 46 A Y >> + 0 0 0 1,-0.2 4,-1.8 2,-0.1 3,-1.7 0.352 63.6 106.9-117.7 13.5 -7.9 12.3 17.1 11 47 A M T 34 S+ 0 0 0 -3,-0.4 68,-0.3 1,-0.3 -1,-0.2 0.499 79.0 55.0 -64.8 -10.2 -7.4 8.6 17.8 12 48 A H T 34 S+ 0 0 0 -3,-0.3 64,-0.3 27,-0.1 63,-0.3 0.316 119.0 24.5-108.6 6.9 -9.4 8.9 21.1 13 49 A Y T <4 S+ 0 0 8 -3,-1.7 -2,-0.2 62,-0.2 2,-0.1 0.431 96.9 90.9-146.5 -3.1 -12.6 10.4 19.7 14 50 A K S < S- 0 0 35 -4,-1.8 35,-0.0 1,-0.1 5,-0.0 -0.358 78.0 -83.2 -97.3 174.1 -13.1 9.6 16.0 15 51 A S > - 0 0 29 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.217 35.8-107.6 -72.3 164.8 -14.9 6.6 14.4 16 52 A N H > S+ 0 0 66 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.914 120.4 55.8 -52.6 -45.2 -13.6 3.1 13.7 17 53 A R H > S+ 0 0 119 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 111.6 41.4 -56.8 -44.2 -13.4 3.9 10.0 18 54 A M H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.879 115.5 49.7 -74.6 -40.1 -11.2 6.9 10.6 19 55 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.944 111.7 49.4 -58.8 -47.9 -9.0 5.2 13.3 20 56 A D H X S+ 0 0 32 -4,-3.2 4,-3.2 -5,-0.2 5,-0.3 0.905 107.4 56.3 -61.5 -38.1 -8.5 2.2 10.9 21 57 A S H X S+ 0 0 21 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.918 109.2 44.5 -64.1 -43.8 -7.5 4.6 8.1 22 58 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.957 117.5 43.4 -59.1 -51.4 -4.7 6.2 10.1 23 59 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.902 114.2 49.4 -71.4 -39.3 -3.3 3.0 11.4 24 60 A E H X S+ 0 0 94 -4,-3.2 4,-2.5 -5,-0.3 -1,-0.2 0.867 112.3 50.1 -62.6 -38.0 -3.6 1.2 8.0 25 61 A S H X S+ 0 0 14 -4,-1.9 4,-2.8 -5,-0.3 6,-0.2 0.934 109.2 50.8 -64.6 -44.5 -1.9 4.2 6.4 26 62 A A H X>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 4,-0.9 0.927 113.8 45.4 -57.2 -46.0 0.9 4.0 9.0 27 63 A R H ><5S+ 0 0 150 -4,-2.5 3,-1.1 2,-0.2 -2,-0.2 0.949 113.9 47.7 -59.5 -48.2 1.4 0.3 8.3 28 64 A D H 3<5S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.885 114.3 49.1 -64.6 -40.1 1.3 0.7 4.5 29 65 A M H 3<5S- 0 0 3 -4,-2.8 -1,-0.3 -5,-0.2 325,-0.2 0.620 113.5-114.7 -72.4 -13.0 3.8 3.6 4.9 30 66 A G T <<5 + 0 0 31 -3,-1.1 2,-0.5 -4,-0.9 -26,-0.4 0.598 61.7 152.7 85.9 10.0 6.3 1.8 7.1 31 67 A I < - 0 0 2 -5,-2.5 -1,-0.3 -6,-0.2 -26,-0.2 -0.661 21.6-174.9 -76.8 121.2 5.6 4.1 10.1 32 68 A K + 0 0 91 -28,-2.1 57,-3.0 -2,-0.5 2,-0.4 0.643 61.1 41.1 -95.8 -19.3 6.4 2.0 13.2 33 69 A V E -bc 5 89A 0 -29,-0.7 -27,-2.0 55,-0.2 2,-0.4 -0.997 59.3-165.9-137.3 130.6 5.4 4.4 16.0 34 70 A L E -bc 6 90A 0 55,-2.9 57,-2.1 -2,-0.4 2,-0.5 -0.981 11.5-149.7-119.5 130.0 2.4 6.7 16.4 35 71 A R E +bc 7 91A 0 -29,-2.6 -27,-2.5 -2,-0.4 2,-0.3 -0.868 29.2 171.0 -96.3 125.8 2.3 9.4 19.1 36 72 A I E - c 0 92A 0 55,-2.8 57,-2.2 -2,-0.5 2,-0.4 -0.837 35.8-100.8-136.2 161.4 -1.3 10.1 20.2 37 73 A W E - c 0 93A 10 -29,-0.5 57,-0.1 -2,-0.3 55,-0.0 -0.735 22.1-174.0 -83.2 137.8 -3.2 12.0 22.9 38 74 A G + 0 0 0 55,-2.6 2,-0.3 -2,-0.4 -1,-0.1 -0.176 60.8 82.2-115.4 34.0 -4.5 10.0 25.9 39 75 A F + 0 0 0 2,-0.0 2,-0.2 56,-0.0 56,-0.1 -0.979 37.5 169.5-136.9 154.0 -6.4 13.0 27.4 40 76 A L - 0 0 0 -2,-0.3 14,-2.3 63,-0.0 13,-0.8 -0.623 27.0-173.9-161.4 92.0 -9.7 14.9 27.1 41 77 A D B +h 54 0B 0 60,-2.4 4,-0.2 -2,-0.2 65,-0.1 -0.799 39.4 28.6-103.4 130.4 -10.0 17.3 30.0 42 78 A G S > S- 0 0 0 12,-2.6 4,-2.3 -2,-0.5 5,-0.2 0.282 74.9-102.9 102.2 138.7 -13.0 19.4 30.9 43 79 A E H > S+ 0 0 66 12,-1.1 4,-2.9 1,-0.2 5,-0.2 0.904 118.0 50.7 -61.0 -42.0 -16.7 19.2 30.4 44 80 A S H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 112.0 46.5 -64.7 -36.9 -16.9 21.6 27.5 45 81 A Y H > S+ 0 0 60 2,-0.2 4,-1.4 -4,-0.2 -1,-0.2 0.910 114.6 47.3 -71.6 -39.2 -14.1 19.9 25.6 46 82 A C H X>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 4,-0.6 0.932 113.2 48.9 -67.5 -44.6 -15.6 16.5 26.1 47 83 A R H ><5S+ 0 0 141 -4,-2.9 3,-1.2 -5,-0.2 -2,-0.2 0.934 105.0 59.2 -58.6 -43.8 -19.0 17.8 25.1 48 84 A D H 3<5S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.857 118.5 29.6 -54.2 -40.0 -17.5 19.4 22.0 49 85 A K H 3<5S- 0 0 69 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.334 105.6-126.7 -97.2 2.2 -16.3 16.0 20.7 50 86 A N T <<5S+ 0 0 75 -3,-1.2 20,-2.5 -4,-0.6 2,-0.4 0.859 76.5 115.7 47.5 43.8 -19.1 14.1 22.5 51 87 A T E < -i 70 0C 0 -5,-2.2 2,-0.5 -6,-0.2 -2,-0.3 -0.994 53.1-152.7-144.4 130.8 -16.4 12.0 24.0 52 88 A Y E +i 71 0C 3 18,-2.6 20,-2.4 -2,-0.4 21,-0.6 -0.892 36.4 136.0-117.1 131.9 -15.5 11.8 27.7 53 89 A M S S- 0 0 0 -13,-0.8 8,-1.9 -2,-0.5 -12,-0.2 0.517 89.5 -1.2-129.4 -45.1 -12.2 11.0 29.5 54 90 A H B +h 41 0B 0 -14,-2.3 -12,-2.6 6,-0.2 6,-0.2 -0.490 66.8 156.8-151.2 67.7 -11.9 13.5 32.3 55 91 A P S S+ 0 0 1 0, 0.0 -12,-1.1 0, 0.0 -11,-0.2 0.815 73.4 2.4 -72.2 -27.8 -14.8 16.0 32.3 56 92 A E B > S-J 59 0D 92 3,-0.7 3,-2.4 -14,-0.2 51,-0.0 -0.956 99.8 -66.4-152.9 161.9 -14.5 17.0 36.1 57 93 A P T 3 S+ 0 0 47 0, 0.0 3,-0.1 0, 0.0 71,-0.0 -0.272 121.4 5.9 -60.5 135.8 -12.2 16.1 39.0 58 94 A G T 3 S+ 0 0 42 1,-0.2 2,-0.6 70,-0.1 -4,-0.0 0.480 102.0 112.4 67.5 3.8 -12.5 12.5 39.9 59 95 A V B < -J 56 0D 52 -3,-2.4 -3,-0.7 4,-0.0 2,-0.4 -0.947 43.5-178.5-107.9 116.8 -14.9 11.7 37.0 60 96 A F - 0 0 48 -2,-0.6 -6,-0.2 -6,-0.2 2,-0.2 -0.966 55.8 -5.0-118.5 127.6 -13.2 9.3 34.5 61 97 A G S S- 0 0 3 -8,-1.9 -8,-0.2 -2,-0.4 9,-0.1 -0.599 118.6 -6.8 83.2-152.6 -15.1 8.3 31.4 62 98 A V S S- 0 0 46 -2,-0.2 -2,-0.1 -10,-0.2 3,-0.1 -0.557 76.8-112.1 -84.9 132.9 -18.7 9.3 30.8 63 99 A P > - 0 0 33 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.302 43.8 -90.1 -59.6 147.0 -20.6 11.1 33.6 64 100 A E T 3 S+ 0 0 205 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.375 114.3 17.6 -53.5 132.4 -23.5 9.1 35.2 65 101 A G T 3 S+ 0 0 81 1,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.754 89.0 119.6 64.7 21.7 -26.7 9.9 33.2 66 102 A I < - 0 0 54 -3,-1.6 -1,-0.3 3,-0.0 3,-0.3 -0.996 48.2-174.5 -99.7 119.5 -25.0 11.3 30.2 67 103 A S + 0 0 92 -2,-0.6 3,-0.1 1,-0.2 -3,-0.0 -0.709 54.2 31.1-105.1 166.5 -26.3 8.9 27.5 68 104 A N S S+ 0 0 163 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.817 89.4 124.8 61.7 27.9 -25.4 8.5 23.9 69 105 A A - 0 0 27 -3,-0.3 2,-0.3 -17,-0.0 -1,-0.2 -0.868 61.2-114.5-113.3 158.1 -21.8 9.7 24.4 70 106 A Q E -i 51 0C 62 -20,-2.5 -18,-2.6 -2,-0.3 2,-0.6 -0.660 19.0-135.1 -84.5 145.4 -18.5 8.1 23.5 71 107 A N E >> -i 52 0C 54 -2,-0.3 4,-1.5 -20,-0.2 3,-1.1 -0.913 9.4-148.7 -97.4 120.9 -16.1 7.0 26.2 72 108 A G H 3> S+ 0 0 0 -20,-2.4 4,-2.8 -2,-0.6 5,-0.2 0.783 97.6 60.3 -64.9 -25.0 -12.5 8.2 25.2 73 109 A F H 3> S+ 0 0 1 -21,-0.6 4,-2.3 1,-0.2 -1,-0.3 0.858 104.1 47.6 -67.5 -36.0 -11.1 5.2 27.0 74 110 A E H <> S+ 0 0 44 -3,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.804 113.2 49.6 -73.9 -29.8 -13.1 2.8 24.8 75 111 A R H X S+ 0 0 10 -4,-1.5 4,-2.6 -63,-0.3 -2,-0.2 0.942 112.5 45.5 -71.1 -48.3 -11.9 4.8 21.7 76 112 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 -64,-0.3 5,-0.2 0.910 110.8 56.5 -57.7 -39.2 -8.3 4.6 22.9 77 113 A D H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.901 108.9 45.9 -56.9 -45.9 -9.0 0.8 23.6 78 114 A Y H X S+ 0 0 25 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.927 113.3 48.9 -63.8 -47.4 -10.0 0.4 19.9 79 115 A T H X S+ 0 0 0 -4,-2.6 4,-3.1 -68,-0.3 5,-0.2 0.919 112.7 47.9 -59.5 -47.7 -7.0 2.3 18.7 80 116 A I H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.933 113.2 47.9 -57.8 -44.3 -4.6 0.3 20.9 81 117 A A H X S+ 0 0 20 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.925 114.1 46.6 -68.0 -39.3 -6.2 -3.0 19.8 82 118 A K H X S+ 0 0 35 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.914 112.2 49.7 -68.3 -41.7 -6.0 -2.0 16.1 83 119 A A H X>S+ 0 0 0 -4,-3.1 5,-2.3 -5,-0.2 4,-1.0 0.891 109.0 53.5 -62.5 -36.7 -2.4 -0.9 16.4 84 120 A K H ><5S+ 0 0 84 -4,-2.3 3,-0.8 -5,-0.2 -1,-0.2 0.956 111.3 45.5 -61.4 -50.6 -1.6 -4.2 18.1 85 121 A E H 3<5S+ 0 0 129 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 116.7 45.4 -56.4 -44.8 -3.1 -6.1 15.2 86 122 A L H 3<5S- 0 0 18 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.494 112.6-116.5 -84.6 -2.3 -1.3 -3.9 12.6 87 123 A G T <<5 + 0 0 48 -4,-1.0 2,-0.4 -3,-0.8 -3,-0.2 0.702 65.2 142.7 78.8 21.4 2.1 -4.0 14.4 88 124 A I < - 0 0 5 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.771 41.2-142.6 -92.0 137.4 2.2 -0.1 15.2 89 125 A K E -c 33 0A 79 -57,-3.0 -55,-2.9 -2,-0.4 2,-0.4 -0.697 17.3-143.7 -95.7 157.5 3.7 1.0 18.6 90 126 A L E -cd 34 154A 0 63,-2.2 65,-3.1 -2,-0.3 66,-1.2 -0.940 16.2-160.2-127.1 139.9 2.1 3.9 20.5 91 127 A I E -cd 35 156A 0 -57,-2.1 -55,-2.8 -2,-0.4 2,-0.5 -0.985 21.9-159.6-110.8 127.5 3.4 6.8 22.6 92 128 A I E -cd 36 157A 0 64,-2.3 66,-2.2 -2,-0.5 2,-0.3 -0.939 3.3-150.4-119.3 125.8 0.5 8.1 24.7 93 129 A V E -cd 37 158A 0 -57,-2.2 -55,-2.6 -2,-0.5 66,-0.2 -0.712 1.7-154.0-102.4 142.1 0.7 11.6 26.2 94 130 A L + 0 0 0 64,-2.3 2,-0.3 -2,-0.3 66,-0.2 0.660 67.6 6.0 -99.8 -19.9 -1.1 12.3 29.4 95 131 A V - 0 0 0 63,-0.2 66,-2.5 -56,-0.1 2,-0.4 -0.961 68.4-121.5-154.7 156.3 -1.9 16.1 29.5 96 132 A N B -k 161 0E 2 -2,-0.3 8,-2.0 64,-0.2 66,-0.1 -0.893 2.8-150.7-103.6 137.5 -1.5 19.0 27.0 97 133 A N S S+ 0 0 3 64,-2.3 8,-0.3 -2,-0.4 -1,-0.1 0.878 86.7 62.9 -58.8 -35.3 0.5 22.1 27.9 98 134 A W S S- 0 0 82 63,-0.3 6,-0.2 6,-0.1 -2,-0.2 -0.355 97.4-107.5 -94.1 172.5 -2.0 24.0 25.5 99 135 A D S > S+ 0 0 70 4,-0.1 3,-2.1 -2,-0.1 2,-0.2 0.565 80.2 113.6 -82.4 -8.8 -5.8 24.5 25.9 100 136 A D T 3 S+ 0 0 102 1,-0.3 3,-0.2 2,-0.1 -2,-0.1 -0.443 93.4 9.0 -61.9 128.1 -6.8 22.0 23.1 101 137 A F T 3 S- 0 0 19 1,-0.2 -60,-2.4 -2,-0.2 2,-1.3 0.770 132.9 -72.6 63.6 31.3 -8.6 19.1 24.8 102 138 A G S <> S- 0 0 0 -3,-2.1 4,-0.9 -62,-0.2 3,-0.2 -0.464 75.0-177.5 93.0 -66.3 -8.6 21.2 28.0 103 139 A G H >> - 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