==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHATE-BINDING PROTEIN 26-MAR-12 4ECF . COMPND 2 MOLECULE: ABC-TYPE PHOSPHATE TRANSPORT SYSTEM, PERIPLASMIC . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS BREVIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 12.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.1 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 1 0 0 1 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 PARALLEL BRIDGES PER LADDER . 3 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 31 A A 0 0 148 0, 0.0 29,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -83.5 -2.4 17.6 30.1 2 32 A G - 0 0 50 1,-0.0 2,-0.5 29,-0.0 29,-0.2 -0.020 360.0 -59.9 74.0-175.9 0.5 19.6 31.7 3 33 A E E -a 31 0A 104 27,-2.4 29,-2.3 2,-0.0 2,-0.3 -0.938 50.9-173.3-113.6 129.6 2.6 22.5 30.5 4 34 A S E +a 32 0A 70 -2,-0.5 2,-0.3 27,-0.2 29,-0.2 -0.923 8.0 176.3-125.0 144.8 4.7 22.1 27.4 5 35 A I E -a 33 0A 7 27,-1.8 29,-2.8 -2,-0.3 2,-0.4 -0.958 16.9-142.5-138.1 162.5 7.3 24.3 25.6 6 36 A T E -a 34 0A 32 -2,-0.3 47,-1.9 27,-0.2 48,-1.6 -0.993 10.7-173.0-132.2 128.8 9.5 23.9 22.6 7 37 A A E +ab 35 54A 0 27,-2.5 29,-2.3 -2,-0.4 2,-0.3 -0.982 15.5 173.3-117.7 130.3 13.1 25.1 22.1 8 38 A V E +ab 36 55A 3 46,-2.0 48,-3.1 -2,-0.4 2,-0.4 -0.948 27.9 49.7-135.5 157.7 14.8 24.8 18.7 9 39 A G E +ab 38 56A 0 28,-1.4 30,-2.3 27,-0.6 31,-0.3 -0.963 64.9 71.9 132.7-126.9 18.1 25.8 16.9 10 40 A S > - 0 0 0 46,-2.9 4,-1.1 -2,-0.4 47,-0.1 -0.024 45.2-161.6 -36.4 119.6 21.7 25.6 17.7 11 41 A T T 4 S+ 0 0 4 2,-0.2 -1,-0.2 1,-0.2 46,-0.1 0.770 92.8 60.7 -74.9 -22.8 23.1 22.1 17.6 12 42 A A T 4 S+ 0 0 0 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.866 113.6 35.9 -64.8 -33.9 26.1 23.3 19.6 13 43 A L T >> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.1 3,-0.8 0.668 94.7 91.0 -94.9 -17.7 23.7 24.2 22.5 14 44 A Q H 3X S+ 0 0 36 -4,-1.1 4,-2.9 1,-0.3 5,-0.3 0.839 81.2 55.0 -52.2 -44.5 21.3 21.3 21.9 15 45 A P H 3> S+ 0 0 27 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.907 110.6 45.3 -62.4 -39.2 23.0 18.9 24.3 16 46 A L H <> S+ 0 0 2 -3,-0.8 4,-3.0 -4,-0.3 5,-0.3 0.914 114.4 48.3 -67.5 -42.4 22.8 21.3 27.3 17 47 A V H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.924 113.6 47.7 -64.9 -40.6 19.2 22.2 26.5 18 48 A E H X S+ 0 0 90 -4,-2.9 4,-2.2 -5,-0.2 5,-0.2 0.918 115.1 44.4 -64.9 -46.1 18.2 18.5 26.2 19 49 A A H X S+ 0 0 30 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.941 116.9 44.8 -66.6 -42.2 20.1 17.6 29.5 20 50 A A H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.884 112.5 53.5 -69.1 -39.0 18.7 20.6 31.4 21 51 A G H X S+ 0 0 2 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.924 110.4 45.1 -61.3 -46.4 15.2 20.0 30.0 22 52 A E H X S+ 0 0 133 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.894 114.6 49.0 -68.4 -37.9 15.1 16.3 31.1 23 53 A Q H X S+ 0 0 56 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.953 112.5 48.2 -64.0 -45.8 16.4 17.2 34.5 24 54 A Y H >X S+ 0 0 19 -4,-3.0 4,-1.1 1,-0.2 3,-0.9 0.940 112.0 48.6 -58.5 -48.4 13.9 20.0 34.9 25 55 A T H 3< S+ 0 0 41 -4,-2.6 6,-0.4 1,-0.3 3,-0.2 0.845 108.7 52.8 -68.2 -31.1 10.9 17.8 33.8 26 56 A G H 3< S+ 0 0 64 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.702 114.6 43.8 -73.7 -19.5 11.9 15.0 36.2 27 57 A E H << S+ 0 0 112 -4,-1.0 2,-0.5 -3,-0.9 -2,-0.2 0.523 113.3 53.0 -97.0 -11.8 12.0 17.6 39.1 28 58 A H S >< S- 0 0 69 -4,-1.1 3,-0.9 -3,-0.2 -1,-0.2 -0.912 84.4-136.6-131.7 99.3 8.7 19.4 38.1 29 59 A L T 3 S+ 0 0 183 -2,-0.5 3,-0.1 1,-0.2 -3,-0.1 -0.258 83.7 23.0 -58.4 137.2 5.7 17.2 37.7 30 60 A G T 3 S+ 0 0 38 1,-0.3 -27,-2.4 -5,-0.1 2,-0.4 0.730 93.7 123.2 84.7 19.9 3.4 17.8 34.8 31 61 A T E < -a 3 0A 14 -3,-0.9 2,-0.4 -6,-0.4 -1,-0.3 -0.921 38.0-171.0-117.3 150.2 6.0 19.6 32.6 32 62 A F E -a 4 0A 101 -29,-2.3 -27,-1.8 -2,-0.4 2,-0.5 -0.999 3.1-172.3-141.7 128.2 7.3 18.8 29.1 33 63 A I E -a 5 0A 24 -2,-0.4 2,-0.4 -29,-0.2 -27,-0.2 -0.957 7.9-162.6-128.7 115.9 10.2 20.4 27.3 34 64 A N E -a 6 0A 79 -29,-2.8 -27,-2.5 -2,-0.5 2,-0.4 -0.804 8.5-167.7-101.4 129.8 10.7 19.5 23.6 35 65 A V E +a 7 0A 31 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.963 8.1 175.4-124.4 132.2 14.1 20.3 22.1 36 66 A Q E -a 8 0A 115 -29,-2.3 -27,-0.6 -2,-0.4 -18,-0.0 -0.918 19.6-140.3-126.2 163.1 15.1 20.3 18.5 37 67 A G E + 0 0 18 -2,-0.3 -28,-1.4 -29,-0.2 -1,-0.1 0.309 40.6 136.6 -88.4-136.4 18.2 21.1 16.4 38 68 A G E S-a 9 0A 48 115,-0.2 4,-0.4 -30,-0.1 -28,-0.2 0.090 71.7 -92.2 110.3 -22.6 18.2 22.9 13.1 39 69 A G > - 0 0 3 -30,-2.3 4,-2.3 1,-0.1 3,-0.4 -0.007 45.4 -70.0 99.1 164.3 21.1 25.3 13.7 40 70 A T H > S+ 0 0 1 -31,-0.3 4,-2.6 1,-0.2 5,-0.2 0.874 128.4 56.3 -54.6 -45.6 21.4 28.8 15.0 41 71 A G H > S+ 0 0 10 88,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.896 109.1 45.3 -60.0 -40.6 19.8 30.3 11.9 42 72 A T H > S+ 0 0 64 -4,-0.4 4,-2.9 -3,-0.4 5,-0.3 0.896 111.1 54.9 -67.7 -41.0 16.7 28.2 12.3 43 73 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 13,-0.3 -2,-0.2 0.944 112.5 41.9 -55.9 -51.5 16.5 29.0 16.0 44 74 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.913 115.7 48.8 -65.3 -44.8 16.6 32.8 15.4 45 75 A S H X S+ 0 0 49 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.919 113.3 47.1 -62.9 -39.4 14.2 32.6 12.5 46 76 A Q H X>S+ 0 0 61 -4,-2.9 5,-2.4 2,-0.2 4,-0.7 0.900 112.0 48.7 -73.8 -36.5 11.7 30.5 14.4 47 77 A I H ><5S+ 0 0 1 -4,-2.2 3,-1.0 -5,-0.3 -1,-0.2 0.923 110.3 52.0 -69.6 -40.4 11.7 32.6 17.5 48 78 A Q H 3<5S+ 0 0 49 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.893 109.7 50.4 -57.4 -40.6 11.3 35.8 15.5 49 79 A E H 3<5S- 0 0 133 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.622 110.9-125.3 -69.8 -16.6 8.3 34.1 13.8 50 80 A G T <<5S+ 0 0 42 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.773 73.0 130.1 72.4 27.7 6.9 33.2 17.2 51 81 A A S - 0 0 69 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.528 42.7-116.8 -63.9 144.4 23.7 37.5 19.1 61 91 A A G > S+ 0 0 1 1,-0.3 3,-1.8 2,-0.2 6,-0.2 0.872 112.6 61.0 -57.6 -39.2 20.3 38.0 17.2 62 92 A G G 3 S+ 0 0 59 1,-0.3 -1,-0.3 6,-0.1 4,-0.1 0.575 88.1 73.3 -63.4 -13.9 21.7 41.0 15.4 63 93 A E G < S+ 0 0 96 -3,-2.1 2,-0.5 2,-0.1 -1,-0.3 0.609 84.9 76.5 -71.6 -17.2 24.4 39.0 13.7 64 94 A Q S X S- 0 0 36 -3,-1.8 3,-1.7 -4,-0.3 -1,-0.0 -0.875 89.1-118.8-105.4 121.2 21.9 37.3 11.4 65 95 A K T 3 S+ 0 0 204 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.321 96.9 21.4 -57.5 133.1 20.6 39.2 8.4 66 96 A G T 3 S+ 0 0 71 1,-0.3 2,-0.5 -4,-0.1 -1,-0.2 0.401 91.2 119.6 90.1 -0.9 16.8 39.7 8.6 67 97 A I < - 0 0 20 -3,-1.7 2,-1.1 -6,-0.2 -1,-0.3 -0.872 57.4-144.1 -96.2 125.0 16.4 39.2 12.3 68 98 A N > - 0 0 83 -2,-0.5 3,-1.5 1,-0.2 4,-0.4 -0.760 14.5-170.8 -85.5 96.4 14.9 42.1 14.3 69 99 A A G > S+ 0 0 42 -2,-1.1 3,-1.2 1,-0.3 -1,-0.2 0.786 75.4 70.7 -60.5 -25.9 16.9 41.8 17.6 70 100 A R G 3 S+ 0 0 239 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.635 95.6 50.8 -74.1 -13.2 14.7 44.5 19.3 71 101 A Q G < S+ 0 0 75 -3,-1.5 142,-1.3 142,-0.0 2,-0.3 0.501 103.1 75.8 -95.7 -5.0 11.6 42.2 19.5 72 102 A L E < S-F 212 0B 14 -3,-1.2 2,-0.5 -4,-0.4 140,-0.2 -0.711 71.9-140.5-103.8 155.8 13.7 39.4 21.0 73 103 A V E -F 211 0B 29 138,-2.7 138,-2.0 140,-0.3 2,-0.1 -0.981 19.0-139.7-118.5 120.6 14.9 39.1 24.6 74 104 A D + 0 0 53 -2,-0.5 2,-0.3 136,-0.2 136,-0.2 -0.448 19.5 179.8 -75.9 145.0 18.4 37.6 25.1 75 105 A H - 0 0 30 -2,-0.1 134,-2.9 148,-0.0 2,-0.4 -0.882 14.5-155.0-144.4 107.5 19.3 35.2 27.9 76 106 A R E +D 208 0A 104 -2,-0.3 132,-0.2 132,-0.2 3,-0.1 -0.755 21.4 165.4 -85.5 138.4 22.9 34.1 28.0 77 107 A V E - 0 0 2 130,-2.5 2,-0.3 1,-0.4 131,-0.1 0.496 56.1 -10.4-129.5 -12.4 23.5 30.7 29.7 78 108 A A E -D 207 0A 0 129,-0.9 129,-3.0 165,-0.2 2,-0.4 -0.974 55.3-113.8-174.9 165.8 27.0 29.4 28.8 79 109 A V E -DE 206 242A 0 163,-2.4 163,-2.8 -2,-0.3 2,-0.4 -0.967 29.9-158.0-114.2 139.4 30.1 29.8 26.7 80 110 A V E -D 205 0A 2 125,-2.6 125,-2.2 -2,-0.4 2,-0.3 -0.982 7.3-141.1-118.2 131.7 30.9 27.1 24.2 81 111 A G E -D 204 0A 0 -2,-0.4 93,-2.9 159,-0.3 2,-0.4 -0.627 12.4-152.2 -83.3 147.1 34.4 26.4 22.7 82 112 A I E -G 173 0C 1 121,-2.5 91,-0.2 91,-0.3 121,-0.2 -0.989 15.0-176.7-121.9 135.8 34.7 25.4 19.0 83 113 A T E -G 172 0C 1 89,-2.9 89,-2.3 -2,-0.4 2,-0.1 -0.970 29.2-114.3-132.6 140.6 37.6 23.2 17.8 84 114 A P E -G 171 0C 0 0, 0.0 100,-1.9 0, 0.0 2,-0.4 -0.477 35.9-161.3 -61.3 145.8 38.8 21.9 14.4 85 115 A I E -GH 170 183C 0 85,-2.2 85,-2.4 98,-0.2 2,-0.3 -0.986 6.9-169.1-131.4 145.5 38.5 18.2 14.2 86 116 A V E -GH 169 182C 1 96,-2.6 96,-2.3 -2,-0.4 83,-0.2 -0.918 35.5 -90.5-130.2 158.7 40.2 15.8 11.9 87 117 A N > - 0 0 14 81,-2.1 3,-1.8 -2,-0.3 4,-0.2 -0.424 46.4-117.6 -61.0 139.7 40.1 12.2 10.8 88 118 A K T 3 S+ 0 0 128 92,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.646 108.5 56.8 -64.8 -13.2 42.4 10.3 13.1 89 119 A K T 3 S+ 0 0 177 1,-0.2 -1,-0.3 2,-0.1 28,-0.2 0.336 72.2 98.9 -99.0 9.9 44.7 9.2 10.3 90 120 A V S < S- 0 0 1 -3,-1.8 27,-2.0 2,-0.2 -1,-0.2 0.711 87.5-126.4 -74.2 -16.2 45.6 12.6 8.8 91 121 A G S S+ 0 0 51 -3,-0.3 2,-0.3 25,-0.3 -1,-0.1 0.644 72.2 92.7 86.6 14.4 48.9 12.6 10.6 92 122 A V + 0 0 19 24,-0.1 -1,-0.2 1,-0.1 -2,-0.2 -0.990 39.8 180.0-139.4 152.8 48.7 16.0 12.4 93 123 A K S S+ 0 0 141 -2,-0.3 92,-2.5 1,-0.2 2,-0.3 0.348 74.5 40.7-124.3 -2.0 47.6 17.2 15.8 94 124 A N E -j 185 0D 31 90,-0.2 2,-0.3 96,-0.0 92,-0.2 -0.985 53.8-176.6-150.0 145.8 48.3 20.9 15.4 95 125 A L E -j 186 0D 0 90,-1.5 92,-2.4 -2,-0.3 93,-0.3 -0.976 25.8-124.7-135.8 149.5 48.1 23.7 12.8 96 126 A S > - 0 0 34 -2,-0.3 4,-2.5 90,-0.3 5,-0.2 -0.505 36.2-106.3 -75.9 165.9 49.1 27.3 12.8 97 127 A T H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.922 122.6 52.3 -55.5 -45.7 46.4 29.9 12.0 98 128 A N H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 110.2 47.4 -62.4 -42.0 48.0 30.5 8.6 99 129 A Q H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 111.3 51.2 -62.5 -43.8 48.0 26.7 7.8 100 130 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.914 112.1 46.5 -59.6 -42.8 44.3 26.5 9.0 101 131 A I H X S+ 0 0 14 -4,-2.6 4,-2.3 1,-0.2 6,-0.2 0.944 111.4 51.3 -65.5 -45.7 43.3 29.4 6.7 102 132 A K H <>S+ 0 0 71 -4,-2.4 6,-1.8 -5,-0.2 5,-1.6 0.832 111.0 49.3 -62.9 -35.8 45.2 28.0 3.8 103 133 A I H ><5S+ 0 0 1 -4,-2.1 3,-1.1 4,-0.2 -1,-0.2 0.949 113.0 44.4 -66.8 -49.8 43.5 24.6 4.2 104 134 A F H 3<5S+ 0 0 0 -4,-2.5 43,-3.3 1,-0.3 -2,-0.2 0.769 114.4 50.1 -70.5 -24.1 39.9 26.0 4.4 105 135 A T T 3<5S- 0 0 37 -4,-2.3 -1,-0.3 41,-0.2 -2,-0.2 0.475 115.3-115.0 -85.2 -8.3 40.5 28.3 1.5 106 136 A G T < 5S+ 0 0 20 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.563 83.2 119.4 87.3 6.3 41.9 25.5 -0.7 107 137 A Q S S-L 120 0E 36 10,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.998 72.1-133.6-132.6 136.0 47.3 17.6 0.8 111 141 A W G > >S+ 0 0 0 8,-2.5 5,-2.6 -2,-0.4 3,-2.0 0.779 101.0 73.1 -60.4 -22.6 48.1 16.9 4.5 112 142 A K G > 5S+ 0 0 138 5,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.799 84.5 68.6 -62.5 -24.4 51.8 16.3 3.7 113 143 A E G < 5S+ 0 0 102 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.663 106.0 39.5 -67.4 -16.7 52.1 20.1 3.1 114 144 A V G < 5S- 0 0 18 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.075 132.4 -86.3-122.5 22.6 51.6 20.6 6.8 115 145 A G T < 5S+ 0 0 67 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.566 93.6 113.0 89.7 9.3 53.7 17.6 8.0 116 146 A G S - 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