==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BINDING PROTEIN 13-MAR-01 1H9M . COMPND 2 MOLECULE: MOLYBDENUM-BINDING-PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; . AUTHOR L.DELARBRE,C.E.M.STEVENSON,D.J.WHITE,L.A.MITCHENALL,R.N.PAU, . 282 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 66.0 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 . 111 39.4 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 . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 27 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 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 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 . 0 0 4 0 0 5 7 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 1 A M 0 0 176 0, 0.0 2,-0.7 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 152.3 -6.1 67.2 42.5 2 2 A K + 0 0 225 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.886 360.0 141.9-113.0 93.2 -7.4 65.3 45.5 3 3 A I - 0 0 69 -2,-0.7 5,-0.0 2,-0.2 0, 0.0 -0.950 57.6-126.5-135.5 152.2 -6.3 61.8 44.6 4 4 A S S S+ 0 0 83 -2,-0.3 -1,-0.1 2,-0.0 0, 0.0 0.885 76.7 107.6 -73.4 -31.9 -4.9 59.0 46.7 5 5 A A - 0 0 9 1,-0.2 -2,-0.2 55,-0.1 55,-0.2 -0.126 62.9-149.7 -50.4 133.2 -1.9 58.4 44.5 6 6 A R S S+ 0 0 136 1,-0.1 2,-0.5 102,-0.1 -1,-0.2 0.578 79.2 65.5 -78.5 -17.8 1.1 59.7 46.4 7 7 A N E +A 59 0A 3 52,-1.1 52,-2.4 100,-0.1 2,-0.5 -0.953 50.7 159.7-113.3 116.6 3.0 60.7 43.3 8 8 A V E -A 58 0A 65 -2,-0.5 2,-0.5 50,-0.2 50,-0.2 -0.949 18.7-173.3-133.2 103.4 1.7 63.4 41.0 9 9 A F E -A 57 0A 10 48,-2.9 48,-2.3 -2,-0.5 2,-0.3 -0.894 15.5-139.4-103.2 136.8 4.4 64.8 38.8 10 10 A K E +A 56 0A 167 -2,-0.5 20,-1.7 46,-0.2 2,-0.3 -0.609 40.9 128.6 -92.8 141.9 4.1 67.8 36.4 11 11 A G E -AB 55 29A 10 44,-2.8 44,-3.0 -2,-0.3 2,-0.4 -0.958 47.6 -98.7-166.3-172.1 5.7 67.7 33.0 12 12 A T E -AB 54 28A 53 16,-2.3 16,-3.5 -2,-0.3 42,-0.2 -0.991 35.1-110.4-130.7 139.5 5.4 68.1 29.3 13 13 A V E + B 0 27A 2 40,-2.7 39,-3.1 -2,-0.4 14,-0.3 -0.451 30.3 179.7 -61.9 127.0 5.0 65.6 26.5 14 14 A S E - 0 0 65 12,-2.7 2,-0.3 1,-0.4 13,-0.2 0.643 67.0 -8.0-104.0 -17.5 8.2 65.3 24.5 15 15 A A E - B 0 26A 40 11,-1.3 11,-3.1 35,-0.1 -1,-0.4 -0.945 55.6-153.2-171.1 156.8 7.0 62.7 22.1 16 16 A L E - B 0 25A 46 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.991 2.7-166.3-137.6 137.4 4.1 60.4 21.4 17 17 A K E - B 0 24A 154 7,-2.8 7,-2.8 -2,-0.4 2,-0.5 -0.985 15.3-149.4-129.3 115.9 4.1 57.1 19.5 18 18 A E E + B 0 23A 96 -2,-0.5 5,-0.2 5,-0.2 2,-0.1 -0.716 18.6 179.5 -90.2 130.1 0.7 55.8 18.5 19 19 A G - 0 0 43 3,-2.1 4,-0.1 -2,-0.5 -1,-0.1 0.024 45.1 -83.3-102.3-145.7 0.3 52.0 18.3 20 20 A A S S- 0 0 94 -2,-0.1 3,-0.1 21,-0.0 -2,-0.0 0.910 117.1 -7.5 -94.8 -53.9 -2.7 49.9 17.5 21 21 A V S S+ 0 0 110 20,-0.1 20,-3.0 19,-0.1 21,-0.5 0.596 134.0 46.1-116.5 -19.3 -4.5 49.8 20.9 22 22 A N E - C 0 40A 74 18,-0.3 -3,-2.1 19,-0.2 2,-0.3 -0.721 63.5-151.7-116.8 169.3 -1.8 51.5 23.1 23 23 A A E -BC 18 39A 3 16,-2.7 16,-2.0 -2,-0.2 2,-0.5 -0.992 11.9-137.2-138.4 143.6 0.3 54.6 22.8 24 24 A E E -BC 17 38A 50 -7,-2.8 -7,-2.8 -2,-0.3 2,-0.5 -0.931 19.9-166.7-101.1 129.6 3.7 55.4 24.3 25 25 A V E -BC 16 37A 0 12,-2.9 12,-2.7 -2,-0.5 2,-0.4 -0.921 5.9-157.3-120.7 121.8 4.1 58.9 25.8 26 26 A D E -BC 15 36A 37 -11,-3.1 -12,-2.7 -2,-0.5 -11,-1.3 -0.854 15.6-167.5-100.6 134.4 7.5 60.3 26.7 27 27 A I E -BC 13 35A 1 8,-2.7 8,-2.6 -2,-0.4 2,-0.6 -0.980 18.9-144.9-127.3 137.8 7.4 63.0 29.2 28 28 A L E -BC 12 34A 77 -16,-3.5 -16,-2.3 -2,-0.4 6,-0.2 -0.881 29.0-135.4-102.8 125.3 10.0 65.5 30.4 29 29 A L E -B 11 0A 11 4,-3.3 -18,-0.2 -2,-0.6 -20,-0.0 -0.466 25.6-100.5 -81.4 159.1 9.6 66.2 34.0 30 30 A G S S+ 0 0 76 -20,-1.7 2,-0.4 -2,-0.1 -1,-0.1 0.638 116.6 38.4 -47.0 -33.9 9.8 69.6 35.6 31 31 A G S S- 0 0 23 71,-0.1 2,-4.6 2,-0.1 -2,-0.2 -0.997 124.7 -74.6-125.9 121.0 13.4 69.0 36.7 32 32 A G S S+ 0 0 74 -2,-0.4 -2,-0.1 -4,-0.1 71,-0.1 0.178 94.0 115.4 21.3 -33.4 15.5 67.1 34.2 33 33 A D - 0 0 34 -2,-4.6 -4,-3.3 69,-0.2 2,-0.3 -0.255 51.2-148.2 -60.8 153.8 14.0 63.7 34.7 34 34 A K E -C 28 0A 98 -6,-0.2 2,-0.3 46,-0.2 46,-0.3 -0.942 10.4-168.5-125.3 149.0 12.2 61.8 32.0 35 35 A L E -C 27 0A 6 -8,-2.6 -8,-2.7 -2,-0.3 2,-0.4 -0.951 9.6-152.2-132.8 152.8 9.3 59.4 32.2 36 36 A A E -C 26 0A 2 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.999 16.4-173.2-118.5 144.4 7.7 57.0 29.7 37 37 A A E -C 25 0A 0 -12,-2.7 -12,-2.9 -2,-0.4 2,-0.5 -0.913 16.3-151.2-130.2 145.1 4.0 56.0 30.0 38 38 A V E +C 24 0A 45 95,-2.2 98,-0.2 -2,-0.3 2,-0.1 -0.932 28.7 159.7-119.5 127.0 1.8 53.5 28.1 39 39 A V E -C 23 0A 24 -16,-2.0 -16,-2.7 -2,-0.5 98,-0.0 -0.731 48.4 -79.0-133.1 167.3 -1.8 54.4 28.0 40 40 A T E > -C 22 0A 67 -18,-0.2 4,-2.1 1,-0.1 -18,-0.3 -0.369 36.9-124.0 -65.6 149.4 -4.6 53.3 25.6 41 41 A L H > S+ 0 0 15 -20,-3.0 4,-2.7 2,-0.2 5,-0.3 0.890 112.7 60.7 -60.1 -35.7 -4.6 54.9 22.2 42 42 A E H > S+ 0 0 134 -21,-0.5 4,-3.0 1,-0.2 5,-0.2 0.956 107.5 45.2 -58.5 -39.4 -8.2 56.0 22.9 43 43 A S H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 6,-0.2 0.907 109.2 54.0 -69.3 -44.2 -7.0 58.0 25.9 44 44 A A H <>S+ 0 0 1 -4,-2.1 5,-2.5 1,-0.2 -2,-0.2 0.946 116.5 40.2 -55.8 -40.9 -4.0 59.5 24.1 45 45 A R H ><5S+ 0 0 141 -4,-2.7 3,-1.2 3,-0.2 -2,-0.2 0.878 114.4 51.1 -75.2 -40.6 -6.5 60.8 21.5 46 46 A S H 3<5S+ 0 0 85 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.937 113.7 44.7 -62.8 -41.1 -9.2 61.8 23.9 47 47 A L T 3<5S- 0 0 47 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.423 109.4-127.2 -76.8 -5.6 -6.7 63.8 26.0 48 48 A Q T < 5 - 0 0 150 -3,-1.2 -3,-0.2 1,-0.1 -4,-0.1 0.862 36.0-168.4 54.6 43.1 -5.2 65.3 22.8 49 49 A L < + 0 0 11 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.1 -0.317 20.3 146.4 -67.8 127.6 -1.7 64.2 23.7 50 50 A A > - 0 0 49 -35,-0.1 3,-2.5 3,-0.0 -37,-0.3 -0.941 57.4 -66.8-152.1 161.9 0.9 65.7 21.5 51 51 A A T 3 S+ 0 0 75 -2,-0.3 -37,-0.2 1,-0.3 3,-0.1 -0.269 121.4 22.9 -52.6 137.0 4.5 67.0 21.9 52 52 A G T 3 S+ 0 0 54 -39,-3.1 -1,-0.3 1,-0.3 -38,-0.1 0.090 85.3 136.8 84.7 -8.3 4.5 70.1 24.1 53 53 A K < - 0 0 61 -3,-2.5 -40,-2.7 -41,-0.1 2,-0.4 -0.380 55.5-126.0 -69.5 132.7 1.3 69.4 25.9 54 54 A E E +A 12 0A 133 -42,-0.2 2,-0.3 -3,-0.1 -42,-0.3 -0.619 43.4 161.8 -82.3 138.3 1.5 70.0 29.7 55 55 A V E -A 11 0A 4 -44,-3.0 -44,-2.8 -2,-0.4 2,-0.4 -0.862 36.1-126.0-142.3 167.9 0.5 66.9 31.7 56 56 A V E -AD 10 139A 26 83,-2.3 83,-2.9 -2,-0.3 2,-0.5 -0.936 17.3-146.2-114.4 144.7 0.7 65.3 35.1 57 57 A A E -AD 9 138A 1 -48,-2.3 -48,-2.9 -2,-0.4 2,-0.5 -0.984 15.6-160.6-109.7 131.8 1.9 61.7 35.6 58 58 A V E +AD 8 137A 7 79,-3.0 79,-2.6 -2,-0.5 2,-0.4 -0.964 13.7 172.8-119.5 124.4 0.2 59.9 38.5 59 59 A V E -A 7 0A 0 -52,-2.4 -52,-1.1 -2,-0.5 2,-0.1 -0.988 26.1-132.5-135.7 122.2 1.7 56.8 40.1 60 60 A K > - 0 0 78 -2,-0.4 3,-1.9 75,-0.2 4,-0.3 -0.541 26.5-115.3 -71.3 148.2 0.4 55.0 43.2 61 61 A A G > S+ 0 0 6 1,-0.3 3,-2.0 2,-0.2 49,-1.7 0.844 112.5 56.5 -52.0 -44.7 2.9 54.1 45.9 62 62 A P G 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 47,-0.1 0.636 98.8 63.4 -67.1 -3.4 2.6 50.3 45.6 63 63 A W G < S+ 0 0 75 -3,-1.9 2,-0.5 72,-0.1 69,-0.5 0.576 86.2 88.4 -94.3 -1.4 3.5 50.6 41.9 64 64 A V < - 0 0 4 -3,-2.0 46,-0.3 -4,-0.3 2,-0.2 -0.822 61.0-159.5-103.3 122.8 7.0 52.0 42.6 65 65 A L E -E 130 0B 99 65,-3.1 65,-2.9 -2,-0.5 2,-0.4 -0.650 10.4-140.8 -90.3 158.5 9.9 49.6 43.1 66 66 A L E -E 129 0B 19 -2,-0.2 2,-0.4 63,-0.2 63,-0.2 -0.954 17.4-173.7-115.4 139.3 13.1 50.7 45.0 67 67 A M E +E 128 0B 37 61,-2.9 61,-2.9 -2,-0.4 3,-0.1 -0.999 18.8 173.6-132.7 134.5 16.5 49.6 43.9 68 68 A T S S+ 0 0 60 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.498 80.2 19.2-108.6 -16.2 19.8 50.2 45.7 69 69 A D - 0 0 105 59,-0.1 -1,-0.3 1,-0.1 58,-0.0 -0.792 51.7-169.8-153.3 115.3 22.1 48.1 43.4 70 70 A S > - 0 0 54 -2,-0.3 3,-2.0 -3,-0.1 -1,-0.1 0.727 29.3-145.4 -76.0 -21.6 21.3 47.0 39.9 71 71 A S T 3 - 0 0 81 1,-0.3 3,-0.1 2,-0.0 191,-0.1 0.929 69.2 -54.5 58.7 38.5 24.4 44.7 39.9 72 72 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.362 103.1 137.3 75.6 -2.7 24.9 45.4 36.2 73 73 A Y < - 0 0 178 -3,-2.0 2,-0.4 0, 0.0 -1,-0.2 -0.484 44.9-147.4 -73.8 147.7 21.3 44.3 35.2 74 74 A R - 0 0 237 -2,-0.2 2,-0.3 -3,-0.1 0, 0.0 -0.933 19.9-151.1-109.6 124.7 19.5 46.5 32.7 75 75 A L - 0 0 83 -2,-0.4 -5,-0.0 2,-0.2 0, 0.0 -0.797 20.2-134.5 -99.1 160.2 15.7 46.5 33.4 76 76 A S S S+ 0 0 100 -2,-0.3 2,-0.3 2,-0.0 57,-0.3 0.714 75.7 109.7 -79.7 -19.0 12.8 46.9 30.9 77 77 A A - 0 0 15 1,-0.2 -2,-0.2 55,-0.1 55,-0.2 -0.421 61.7-154.5 -62.7 119.5 11.1 49.3 33.4 78 78 A R S S+ 0 0 129 -2,-0.3 2,-0.6 -42,-0.1 -1,-0.2 0.614 71.1 70.8 -72.5 -19.8 11.5 52.6 31.5 79 79 A N E +F 131 0B 1 52,-1.5 52,-2.3 -44,-0.1 2,-0.5 -0.920 50.4 162.4-111.2 105.5 11.4 54.9 34.5 80 80 A I E -F 130 0B 75 -2,-0.6 2,-0.5 -46,-0.3 -46,-0.2 -0.994 10.9-178.8-127.1 113.9 14.4 54.9 36.8 81 81 A L E -F 129 0B 2 48,-2.5 48,-3.1 -2,-0.5 2,-0.3 -0.982 11.8-154.7-120.6 116.2 14.6 58.0 39.1 82 82 A T E +F 128 0B 83 -2,-0.5 20,-0.6 46,-0.2 2,-0.3 -0.719 33.3 112.4-104.6 140.1 17.6 58.2 41.4 83 83 A G E -FG 127 101B 17 44,-2.5 44,-2.2 -2,-0.3 2,-0.4 -0.855 56.6 -64.6-163.5-150.5 17.8 60.1 44.7 84 84 A T E -FG 126 100B 54 16,-1.9 16,-2.9 -2,-0.3 42,-0.2 -0.982 45.1-104.4-129.6 134.7 18.1 59.9 48.5 85 85 A V E + G 0 99B 3 40,-3.5 39,-3.3 -2,-0.4 14,-0.3 -0.372 38.1 174.4 -59.6 124.5 15.8 58.4 51.1 86 86 A K E + 0 0 95 12,-3.2 2,-0.3 1,-0.4 13,-0.2 0.791 60.5 1.8 -94.4 -63.6 14.1 61.3 52.9 87 87 A T E - G 0 98B 66 11,-1.3 11,-2.5 35,-0.1 -1,-0.4 -0.943 52.8-161.3-132.1 151.1 11.6 59.6 55.2 88 88 A I E - G 0 97B 44 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.986 3.2-170.7-129.0 125.2 10.5 56.1 56.2 89 89 A E E - G 0 96B 131 7,-2.7 7,-2.9 -2,-0.4 2,-0.3 -0.963 16.2-154.1-114.1 112.8 7.2 55.4 57.8 90 90 A T E + G 0 95B 84 -2,-0.6 5,-0.2 5,-0.2 2,-0.1 -0.609 16.2 176.0 -91.7 137.4 7.1 51.7 59.0 91 91 A G - 0 0 54 3,-2.7 -1,-0.1 -2,-0.3 4,-0.1 0.071 51.2 -75.1-106.9-136.8 3.8 49.9 59.4 92 92 A A S S- 0 0 95 -2,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.855 118.4 -5.1 -92.7 -55.5 3.3 46.2 60.3 93 93 A V S S+ 0 0 106 20,-0.1 20,-2.7 19,-0.0 21,-0.4 0.571 132.5 48.6-116.1 -16.8 4.2 44.4 57.1 94 94 A N E - H 0 112B 70 18,-0.3 -3,-2.7 19,-0.1 2,-0.3 -0.728 62.0-158.3-123.3 163.9 4.7 47.3 54.8 95 95 A A E -GH 90 111B 1 16,-2.4 16,-2.2 -5,-0.2 2,-0.6 -0.986 16.5-132.8-141.8 141.0 6.6 50.6 54.9 96 96 A E E -GH 89 110B 55 -7,-2.9 -7,-2.7 -2,-0.3 2,-0.5 -0.864 25.4-169.1 -99.1 117.5 6.2 53.9 53.0 97 97 A V E -GH 88 109B 0 12,-3.0 12,-2.9 -2,-0.6 2,-0.4 -0.948 4.7-164.4-108.4 125.1 9.5 55.2 51.7 98 98 A T E -GH 87 108B 12 -11,-2.5 -12,-3.2 -2,-0.5 -11,-1.3 -0.913 5.9-163.5-109.3 134.6 9.8 58.8 50.3 99 99 A L E -GH 85 107B 1 8,-3.0 8,-2.1 -2,-0.4 2,-0.5 -0.863 15.1-135.4-110.5 149.6 12.9 59.7 48.2 100 100 A A E -GH 84 106B 30 -16,-2.9 -16,-1.9 -2,-0.3 6,-0.2 -0.902 29.1-162.5-100.7 126.3 14.0 63.2 47.3 101 101 A L E > -G 83 0B 11 4,-3.6 3,-1.9 -2,-0.5 4,-0.2 -0.511 34.9 -61.2-102.3 178.2 15.0 63.5 43.7 102 102 A Q T 3 S+ 0 0 65 -20,-0.6 3,-0.4 1,-0.3 -69,-0.2 -0.338 125.1 19.5 -62.6 124.2 17.1 66.0 41.6 103 103 A G T 3 S- 0 0 87 1,-0.2 -1,-0.3 -2,-0.1 -71,-0.0 0.109 130.6 -74.5 101.4 -18.4 15.5 69.4 41.7 104 104 A G S < S+ 0 0 57 -3,-1.9 2,-0.3 1,-0.3 -1,-0.2 0.589 84.1 148.0 105.3 11.3 13.5 68.6 44.9 105 105 A T - 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