==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOKINE 22-NOV-10 3POK . COMPND 2 MOLECULE: INTERLEUKIN-1 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.BARTHELMES,A.M.REYNOLDS,E.PEISACH,H.R.A.JONKER,N.J.DENUNZI . 159 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 41.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 1 0.6 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 . 21 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 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 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 . 6 2 2 2 1 2 0 1 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 0 0 0 0 0 0 0 0 0 0 1 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 1 A A 0 0 118 0, 0.0 2,-0.1 0, 0.0 98,-0.1 0.000 360.0 360.0 360.0 -59.2 -21.8 13.5 1.2 2 2 A P - 0 0 111 0, 0.0 2,-0.4 0, 0.0 97,-0.1 0.680 360.0-174.8 -89.7 155.4 -20.3 14.4 -1.3 3 3 A V - 0 0 26 95,-0.1 2,-0.3 -2,-0.1 44,-0.1 -0.897 29.8-116.3-109.5 140.4 -18.2 11.4 -2.5 4 4 A R + 0 0 155 42,-0.5 42,-2.6 -2,-0.4 2,-0.3 -0.584 50.6 162.0 -72.9 131.8 -15.8 11.7 -5.5 5 5 A S E -A 45 0A 42 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.991 28.3-167.6-152.7 154.9 -17.0 9.4 -8.3 6 6 A L E -A 44 0A 25 38,-2.2 38,-3.0 -2,-0.3 2,-0.4 -0.976 22.3-128.2-139.9 157.5 -16.8 8.6 -12.0 7 7 A N E +AB 43 159A 22 152,-3.4 151,-3.0 -2,-0.3 152,-1.3 -0.857 41.4 147.1-105.1 141.0 -18.9 6.3 -14.2 8 8 A C E -AB 42 157A 0 34,-2.3 34,-3.3 -2,-0.4 2,-0.3 -0.986 39.8-124.9-160.2 162.5 -17.2 3.7 -16.4 9 9 A T E - B 0 156A 8 147,-2.1 147,-2.3 -2,-0.3 2,-0.4 -0.748 25.2-142.7-106.1 167.4 -17.4 0.3 -18.0 10 10 A L E - B 0 155A 5 30,-0.4 8,-0.7 -2,-0.3 2,-0.4 -0.994 12.7-172.2-130.2 139.3 -14.8 -2.4 -17.4 11 11 A R E -CB 17 154A 48 143,-2.2 143,-2.7 -2,-0.4 6,-0.2 -0.987 25.7-122.3-124.4 143.0 -13.4 -4.9 -19.9 12 12 A D E > - B 0 153A 0 4,-2.1 3,-2.4 -2,-0.4 141,-0.3 -0.208 37.9 -92.9 -77.8 175.6 -11.1 -7.8 -18.8 13 13 A S T 3 S+ 0 0 39 139,-1.5 140,-0.1 1,-0.3 -1,-0.1 0.595 127.7 56.8 -66.4 -11.1 -7.6 -8.3 -20.3 14 14 A Q T 3 S- 0 0 106 138,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.276 121.3-108.6 -98.0 7.5 -9.1 -10.6 -23.0 15 15 A Q < + 0 0 96 -3,-2.4 16,-0.4 1,-0.2 2,-0.3 0.655 67.6 149.8 71.9 19.7 -11.5 -7.8 -24.1 16 16 A K - 0 0 1 14,-0.2 -4,-2.1 12,-0.1 14,-0.3 -0.630 38.7-134.9 -81.0 143.7 -14.6 -9.4 -22.6 17 17 A S E -CD 11 29A 1 12,-3.2 12,-2.2 -2,-0.3 2,-0.5 -0.548 12.9-120.7 -92.5 161.5 -17.4 -7.1 -21.4 18 18 A L E + D 0 28A 4 -8,-0.7 22,-2.6 10,-0.2 2,-0.3 -0.901 37.6 167.1-105.7 130.1 -19.3 -7.3 -18.2 19 19 A V E -ED 39 27A 5 8,-2.5 8,-2.5 -2,-0.5 20,-0.1 -0.913 41.3 -84.1-135.1 162.0 -23.1 -7.7 -18.4 20 20 A M E - D 0 26A 56 18,-0.5 2,-0.3 -2,-0.3 6,-0.3 -0.428 31.2-171.8 -66.1 141.4 -25.9 -8.6 -16.0 21 21 A S - 0 0 34 4,-3.2 3,-0.3 1,-0.6 -1,-0.1 -0.747 69.8 -34.9-131.2 80.1 -26.6 -12.3 -15.5 22 22 A G S > S- 0 0 48 -2,-0.3 3,-1.0 1,-0.2 -1,-0.6 -0.162 94.2 -62.6 81.4 172.5 -29.8 -12.3 -13.5 23 23 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.700 133.8 31.3 -70.3 -21.1 -30.6 -9.6 -10.9 24 24 A Y T 3 S+ 0 0 130 -3,-0.3 65,-0.6 43,-0.0 2,-0.3 0.046 109.6 67.1-128.0 26.4 -27.7 -10.4 -8.5 25 25 A E < - 0 0 84 -3,-1.0 -4,-3.2 63,-0.1 2,-0.3 -0.997 55.4-151.7-147.1 148.0 -24.9 -11.7 -10.8 26 26 A L E -D 20 0A 2 -2,-0.3 113,-2.3 113,-0.3 2,-0.3 -0.859 13.7-169.2-110.2 154.2 -22.5 -10.4 -13.5 27 27 A K E -DF 19 138A 59 -8,-2.5 -8,-2.5 -2,-0.3 2,-0.4 -0.927 14.3-131.1-135.1 164.9 -21.0 -12.4 -16.3 28 28 A A E +DF 18 137A 2 109,-1.9 108,-1.8 -2,-0.3 109,-0.7 -0.952 32.4 149.8-120.3 134.1 -18.3 -11.7 -18.9 29 29 A L E -D 17 0A 27 -12,-2.2 -12,-3.2 -2,-0.4 2,-0.4 -0.990 50.2 -96.5-154.4 158.2 -18.3 -12.2 -22.6 30 30 A H - 0 0 76 -2,-0.3 2,-0.2 -14,-0.3 -14,-0.2 -0.654 51.7-164.7 -70.1 124.2 -16.9 -10.9 -25.9 31 31 A L - 0 0 30 -2,-0.4 2,-0.3 -16,-0.4 5,-0.1 -0.559 11.1-143.9-109.7 174.9 -19.5 -8.5 -27.3 32 32 A Q > - 0 0 147 -2,-0.2 3,-1.6 1,-0.0 4,-0.4 -1.000 42.2 -58.4-141.9 140.2 -20.3 -6.7 -30.6 33 33 A G G > S+ 0 0 62 -2,-0.3 3,-2.9 1,-0.3 4,-0.2 0.139 119.5 10.4 37.3-126.6 -21.7 -3.4 -31.8 34 34 A Q G > S+ 0 0 166 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.739 120.7 68.4 -58.8 -27.0 -25.2 -2.5 -30.6 35 35 A D G X S+ 0 0 83 -3,-1.6 3,-2.1 1,-0.3 -1,-0.3 0.635 78.8 82.9 -65.5 -12.5 -25.1 -5.3 -28.2 36 36 A M G X S+ 0 0 58 -3,-2.9 3,-1.9 -4,-0.4 -1,-0.3 0.745 72.4 76.2 -61.9 -22.8 -22.4 -3.2 -26.5 37 37 A E G < S+ 0 0 167 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.716 83.2 67.5 -59.1 -21.9 -25.4 -1.4 -24.9 38 38 A Q G < S+ 0 0 107 -3,-2.1 -18,-0.5 -4,-0.1 -1,-0.3 0.662 73.2 110.1 -75.8 -16.9 -25.7 -4.4 -22.6 39 39 A Q B < S-E 19 0A 34 -3,-1.9 2,-0.3 -4,-0.2 -20,-0.2 -0.338 75.8-110.4 -67.8 145.4 -22.5 -3.8 -20.8 40 40 A V - 0 0 5 -22,-2.6 2,-0.5 -30,-0.1 -30,-0.4 -0.563 20.8-139.8 -81.7 128.1 -22.9 -2.6 -17.2 41 41 A V - 0 0 42 -2,-0.3 22,-2.3 22,-0.2 2,-0.3 -0.750 20.2-157.0 -87.6 122.9 -22.1 0.9 -16.2 42 42 A F E -AG 8 62A 1 -34,-3.3 -34,-2.3 -2,-0.5 2,-0.6 -0.727 13.3-143.3 -96.1 149.7 -20.3 1.2 -12.8 43 43 A S E -AG 7 61A 23 18,-2.4 18,-2.7 -2,-0.3 2,-0.7 -0.964 21.3-159.4-107.2 109.8 -20.2 4.2 -10.6 44 44 A M E -AG 6 60A 4 -38,-3.0 -38,-2.2 -2,-0.6 2,-0.3 -0.828 9.3-169.7 -95.4 115.7 -16.7 4.1 -9.1 45 45 A S E -AG 5 59A 0 14,-2.1 14,-1.8 -2,-0.7 2,-0.7 -0.789 21.5-129.2-103.7 148.7 -16.5 6.1 -5.9 46 46 A F E - G 0 58A 20 -42,-2.6 -42,-0.5 -2,-0.3 12,-0.2 -0.876 32.3-159.7-100.3 115.1 -13.2 6.9 -4.0 47 47 A V - 0 0 9 10,-1.3 2,-2.1 -2,-0.7 54,-0.2 -0.581 27.3-107.8-101.5 155.3 -13.6 5.9 -0.4 48 48 A Q S S+ 0 0 114 52,-2.0 2,-0.1 -2,-0.2 10,-0.1 -0.470 77.5 112.8 -81.5 71.0 -11.8 7.1 2.7 49 49 A G S S- 0 0 36 -2,-2.1 2,-1.0 8,-0.2 52,-0.0 -0.281 76.3 -37.7-118.6-153.5 -9.8 3.9 3.3 50 50 A E - 0 0 144 -2,-0.1 2,-0.4 6,-0.1 -2,-0.0 -0.618 58.6-166.9 -84.1 100.7 -6.2 2.7 3.1 51 51 A E - 0 0 122 -2,-1.0 2,-0.2 5,-0.1 5,-0.2 -0.710 8.4-177.4 -89.4 130.2 -4.4 4.5 0.3 52 52 A S B > -O 55 0B 71 3,-1.6 3,-1.0 -2,-0.4 0, 0.0 -0.629 51.7 -94.9-104.3 175.7 -1.0 3.4 -1.0 53 53 A N T 3 S+ 0 0 160 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.822 130.2 16.9 -59.4 -26.4 0.8 5.2 -3.7 54 54 A D T 3 S+ 0 0 46 1,-0.1 -1,-0.3 57,-0.0 58,-0.2 -0.225 110.0 81.4-142.6 46.9 -0.8 2.5 -5.9 55 55 A K B < -O 52 0B 75 -3,-1.0 -3,-1.6 56,-0.1 56,-0.2 -0.650 56.9-179.2-143.4 88.3 -3.6 1.0 -3.8 56 56 A I E - H 0 110A 39 54,-2.3 54,-3.1 -5,-0.2 2,-0.2 -0.810 24.8-130.5 -95.8 113.9 -6.5 3.4 -4.1 57 57 A P E + H 0 109A 0 0, 0.0 -10,-1.3 0, 0.0 2,-0.3 -0.453 38.0 165.5 -66.9 128.2 -9.6 2.3 -2.1 58 58 A V E -GH 46 108A 0 50,-3.1 50,-3.0 -12,-0.2 2,-0.3 -0.939 31.2-141.6-138.7 159.5 -12.8 2.4 -4.2 59 59 A A E -G 45 0A 0 -14,-1.8 -14,-2.1 -2,-0.3 2,-0.6 -0.918 17.4-145.6-113.9 149.9 -16.4 1.1 -4.1 60 60 A L E +G 44 0A 1 46,-0.5 9,-2.5 9,-0.4 2,-0.2 -0.921 20.0 177.2-121.8 107.5 -18.1 -0.1 -7.3 61 61 A G E -GI 43 68A 2 -18,-2.7 -18,-2.4 -2,-0.6 2,-0.7 -0.642 34.6-116.7 -98.6 161.2 -21.9 0.5 -7.7 62 62 A L E >>> -GI 42 67A 4 5,-2.7 3,-2.6 -20,-0.2 5,-0.6 -0.903 43.0-111.9 -99.0 111.4 -24.0 -0.4 -10.7 63 63 A K T 345S- 0 0 63 -22,-2.3 -22,-0.2 -2,-0.7 -56,-0.0 -0.084 92.6 -4.2 -50.8 129.2 -25.2 2.9 -12.1 64 64 A E T 345S+ 0 0 154 1,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.386 115.9 89.3 71.6 -2.8 -29.0 3.4 -11.6 65 65 A K T <45S- 0 0 91 -3,-2.6 -2,-0.2 2,-0.2 -1,-0.1 0.518 85.8-133.3-103.3 -5.1 -29.4 -0.1 -10.2 66 66 A N T <5 + 0 0 79 -4,-0.5 26,-2.5 1,-0.2 2,-0.3 0.863 65.9 125.9 49.7 39.2 -28.9 0.6 -6.5 67 67 A L E < -IJ 62 91A 12 -5,-0.6 -5,-2.7 24,-0.3 2,-0.4 -0.935 40.3-168.4-121.9 147.6 -26.5 -2.4 -6.4 68 68 A Y E -IJ 61 90A 16 22,-2.0 22,-2.9 -2,-0.3 2,-0.3 -0.989 26.5-115.6-132.4 145.0 -22.9 -2.6 -5.1 69 69 A L E + J 0 89A 3 -9,-2.5 -9,-0.4 -2,-0.4 2,-0.3 -0.577 41.9 179.3 -70.2 140.2 -20.3 -5.2 -5.4 70 70 A S E - J 0 88A 0 18,-2.2 18,-2.8 -2,-0.3 2,-0.6 -0.990 27.7-133.0-146.7 154.1 -19.4 -6.6 -2.0 71 71 A C E + J 0 87A 0 34,-2.7 2,-0.3 -2,-0.3 16,-0.2 -0.935 35.4 164.0-112.7 116.8 -17.0 -9.2 -0.7 72 72 A V E - J 0 86A 49 14,-2.4 14,-1.8 -2,-0.6 2,-0.2 -0.985 40.7-103.1-138.2 144.4 -18.5 -11.6 1.9 73 73 A L E + J 0 85A 94 -2,-0.3 2,-0.2 12,-0.2 10,-0.0 -0.433 63.9 116.4 -67.5 134.7 -17.6 -15.0 3.3 74 74 A G E - J 0 84A 18 10,-2.7 10,-2.8 -2,-0.2 2,-0.3 -0.813 65.2 -53.4-164.7-153.4 -19.5 -17.9 1.9 75 75 A Y - 0 0 176 -2,-0.2 2,-0.2 8,-0.2 8,-0.1 -0.817 49.9-143.8-102.4 145.2 -19.1 -21.1 -0.1 76 76 A I - 0 0 63 -2,-0.3 10,-0.1 1,-0.1 0, 0.0 -0.697 28.0 -99.0-108.2 164.7 -17.3 -21.0 -3.4 77 77 A D - 0 0 119 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.873 43.4-137.1 -35.7 -61.8 -17.8 -22.9 -6.7 78 78 A T 0 0 125 -3,-0.0 -1,-0.1 1,-0.0 -2,-0.0 0.030 360.0 360.0 110.9 -16.4 -15.0 -25.5 -6.0 79 79 A N 0 0 190 0, 0.0 -3,-0.0 0, 0.0 -1,-0.0 0.719 360.0 360.0 -95.1 360.0 -13.7 -25.3 -9.5 80 ! 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 81 87 A D 0 0 186 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.8 -16.8 -26.2 6.5 82 88 A E - 0 0 135 1,-0.1 2,-0.3 -7,-0.0 -8,-0.0 -0.411 360.0-132.8 -72.9 147.9 -14.4 -23.4 5.9 83 89 A L - 0 0 89 -2,-0.1 -8,-0.2 -8,-0.1 -10,-0.1 -0.805 18.3-163.9-107.2 148.0 -15.7 -20.2 4.3 84 90 A Y E -J 74 0A 88 -10,-2.8 -10,-2.7 -2,-0.3 -12,-0.1 -0.877 33.1 -87.7-126.0 156.6 -14.1 -18.2 1.5 85 91 A P E -J 73 0A 9 0, 0.0 2,-0.3 0, 0.0 -12,-0.2 -0.391 48.4-173.7 -63.0 134.8 -14.5 -14.7 0.1 86 92 A T E -J 72 0A 32 -14,-1.8 -14,-2.4 54,-0.1 2,-0.5 -0.967 24.3-120.5-130.3 150.3 -17.3 -14.4 -2.5 87 93 A L E +J 71 0A 29 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.793 35.0 179.7 -90.3 126.2 -18.5 -11.7 -4.7 88 94 A Q E -J 70 0A 83 -18,-2.8 -18,-2.2 -2,-0.5 2,-0.7 -0.901 29.8-135.6-121.8 153.7 -22.1 -10.5 -4.2 89 95 A L E -J 69 0A 4 -65,-0.6 2,-0.5 -2,-0.3 -20,-0.2 -0.937 32.9-166.5-105.6 108.7 -24.3 -7.9 -5.8 90 96 A E E -J 68 0A 45 -22,-2.9 -22,-2.0 -2,-0.7 2,-0.3 -0.813 15.4-134.8-104.7 127.2 -26.0 -6.2 -2.9 91 97 A S E -J 67 0A 74 -2,-0.5 2,-0.3 -24,-0.2 -24,-0.3 -0.595 29.3-169.7 -77.9 141.9 -29.0 -3.9 -3.2 92 98 A V - 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0 0 63 -2,-0.2 3,-2.1 1,-0.1 4,-0.3 -0.304 40.1-106.9 -57.0 149.5 -18.7 -0.7 5.0 104 110 A K G > S+ 0 0 98 1,-0.3 3,-1.3 2,-0.2 19,-0.4 0.745 114.7 65.1 -56.8 -29.9 -15.5 -2.9 4.6 105 111 A R G 3 S+ 0 0 72 1,-0.3 -34,-2.7 17,-0.1 -1,-0.3 0.754 100.8 53.3 -66.8 -21.3 -17.2 -5.5 2.4 106 112 A F G < S+ 0 0 0 -3,-2.1 -46,-0.5 -36,-0.2 2,-0.4 0.514 88.1 101.9 -89.1 -7.0 -17.7 -2.9 -0.3 107 113 A V < + 0 0 15 -3,-1.3 15,-2.4 -4,-0.3 16,-0.6 -0.696 43.4 179.4 -96.2 130.4 -14.1 -1.7 -0.6 108 114 A F E -HK 58 121A 0 -50,-3.0 -50,-3.1 -2,-0.4 2,-0.8 -0.957 27.9-129.3-119.3 139.0 -11.7 -2.7 -3.3 109 115 A N E -HK 57 120A 16 11,-3.2 11,-2.5 -2,-0.4 2,-0.6 -0.820 22.9-144.5 -85.1 114.6 -8.1 -1.6 -3.6 110 116 A K E -HK 56 119A 15 -54,-3.1 -54,-2.3 -2,-0.8 2,-0.5 -0.734 17.8-168.7 -80.9 118.8 -7.7 -0.3 -7.2 111 117 A I E - K 0 118A 16 7,-2.8 7,-2.3 -2,-0.6 2,-0.9 -0.941 10.0-149.3-114.3 123.4 -4.2 -1.3 -8.3 112 118 A E E + K 0 117A 87 -2,-0.5 2,-0.9 5,-0.2 5,-0.2 -0.758 22.3 169.4-103.0 94.7 -2.9 0.3 -11.5 113 119 A I E > - 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