==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-MAR-08 3CP3 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE NCTC 13129 . AUTHOR Y.KIM,R.WU,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTUR . 127 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 66.9 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 . 53 41.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 11 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 0 1 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 1 2 0 1 0 2 0 0 0 1 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 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 7 A D 0 0 195 0, 0.0 128,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -55.0 41.0 14.4 20.2 2 8 A P + 0 0 85 0, 0.0 127,-2.2 0, 0.0 2,-0.5 0.638 360.0 62.5 -77.3 -13.3 44.6 13.5 19.2 3 9 A I E -A 128 0A 84 125,-0.2 2,-0.5 126,-0.1 125,-0.2 -0.958 64.6-169.8-118.4 117.4 44.3 10.2 21.0 4 10 A T E -A 127 0A 77 123,-3.1 123,-2.4 -2,-0.5 2,-0.6 -0.889 19.5-138.2-101.0 130.0 41.8 7.5 20.0 5 11 A I E -A 126 0A 128 -2,-0.5 121,-0.2 121,-0.2 2,-0.2 -0.827 22.9-140.5 -86.4 126.0 41.4 4.7 22.3 6 12 A L E -A 125 0A 17 119,-2.3 119,-0.5 -2,-0.6 2,-0.1 -0.530 16.3-108.8 -83.1 152.4 41.2 1.5 20.3 7 13 A D > - 0 0 102 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.382 32.3-110.7 -70.7 155.8 38.9 -1.4 21.1 8 14 A S H > S+ 0 0 65 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.900 116.9 51.1 -56.2 -44.5 40.5 -4.7 22.4 9 15 A S H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 112.5 45.9 -61.0 -45.6 39.7 -6.7 19.2 10 16 A D H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.938 113.0 51.8 -58.9 -51.2 41.2 -4.0 17.0 11 17 A S H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.931 112.0 44.5 -52.0 -51.4 44.2 -3.8 19.3 12 18 A L H X S+ 0 0 11 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.876 111.6 52.7 -67.0 -37.8 44.9 -7.5 19.2 13 19 A S H X S+ 0 0 69 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.943 112.4 45.9 -59.1 -45.3 44.4 -7.8 15.4 14 20 A R H >< S+ 0 0 71 -4,-2.7 3,-0.9 1,-0.2 4,-0.3 0.935 112.3 49.2 -68.6 -40.0 46.9 -5.0 14.9 15 21 A L H >< S+ 0 0 0 -4,-2.7 3,-1.7 -5,-0.3 -1,-0.2 0.941 108.4 56.3 -59.3 -43.8 49.4 -6.5 17.4 16 22 A S H 3< S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.625 96.7 64.8 -57.1 -23.2 48.9 -9.8 15.5 17 23 A S T << S+ 0 0 80 -4,-0.9 2,-0.3 -3,-0.9 -1,-0.3 0.511 96.0 65.6 -83.5 -9.0 49.9 -8.2 12.2 18 24 A E < - 0 0 38 -3,-1.7 3,-0.1 -4,-0.3 20,-0.0 -0.779 60.2-162.6-108.5 159.3 53.5 -7.5 13.4 19 25 A S S S+ 0 0 45 -2,-0.3 19,-2.0 1,-0.1 2,-0.4 0.486 73.9 67.4-117.0 -4.7 56.1 -10.2 14.3 20 26 A V E +B 37 0A 56 17,-0.2 2,-0.3 15,-0.0 17,-0.2 -0.970 59.2 160.9-115.7 129.7 58.5 -8.0 16.3 21 27 A G E -B 36 0A 0 15,-2.9 15,-3.0 -2,-0.4 2,-0.5 -0.841 33.4-113.3-136.2 176.1 57.5 -6.5 19.7 22 28 A R E -BC 35 70A 78 48,-2.8 48,-2.3 13,-0.3 2,-0.5 -0.945 16.7-151.3-119.8 130.7 59.3 -5.0 22.8 23 29 A L E -BC 34 69A 0 11,-2.8 11,-1.6 -2,-0.5 2,-0.6 -0.845 7.5-155.8 -97.9 131.2 59.4 -6.5 26.2 24 30 A V E +BC 33 68A 32 44,-3.1 44,-1.7 -2,-0.5 2,-0.3 -0.915 21.1 176.1-107.9 125.6 59.7 -4.2 29.1 25 31 A V E -B 32 0A 2 7,-2.4 7,-2.3 -2,-0.6 2,-0.3 -0.737 9.9-168.6-124.1 163.1 61.1 -5.7 32.2 26 32 A H E -B 31 0A 39 40,-0.3 38,-2.8 38,-0.3 2,-0.5 -0.983 25.3-162.7-153.7 142.4 62.2 -4.7 35.6 27 33 A R E > S-B 30 0A 153 3,-1.9 3,-1.7 -2,-0.3 2,-0.3 -0.948 84.2 -55.4-117.3 102.9 64.0 -5.7 38.7 28 34 A K T 3 S- 0 0 182 -2,-0.5 36,-0.1 1,-0.3 35,-0.0 -0.470 121.4 -17.1 57.7-119.6 62.6 -3.1 41.2 29 35 A D T 3 S+ 0 0 156 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.518 113.0 96.6 -93.2 -12.3 63.3 0.3 39.6 30 36 A D E < -B 27 0A 124 -3,-1.7 -3,-1.9 2,-0.0 2,-0.3 -0.750 60.6-169.4 -74.0 131.6 65.9 -0.7 37.1 31 37 A L E +B 26 0A 105 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.869 12.1 179.1-115.4 154.2 64.1 -1.1 33.8 32 38 A D E -B 25 0A 86 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.3 -0.950 8.0-161.6-147.6 167.1 65.1 -2.5 30.5 33 39 A I E +B 24 0A 92 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.989 10.3 172.8-150.7 138.9 63.5 -3.1 27.2 34 40 A F E -B 23 0A 10 -11,-1.6 -11,-2.8 -2,-0.3 2,-0.1 -0.994 29.7-115.7-151.6 147.3 64.3 -5.3 24.2 35 41 A P E +B 22 0A 86 0, 0.0 2,-0.3 0, 0.0 -13,-0.3 -0.480 34.4 176.4 -80.4 147.1 62.7 -6.3 20.9 36 42 A V E -B 21 0A 19 -15,-3.0 -15,-2.9 -2,-0.1 2,-0.5 -0.976 36.5-111.9-143.2 152.9 61.8 -10.0 20.3 37 43 A N E +B 20 0A 61 -2,-0.3 15,-0.6 -17,-0.2 2,-0.3 -0.777 52.1 172.1 -78.0 131.9 60.0 -11.9 17.5 38 44 A F E -D 51 0A 4 -19,-2.0 2,-0.4 -2,-0.5 13,-0.2 -0.873 28.0-147.5-135.2 166.6 56.7 -13.0 19.0 39 45 A V E -D 50 0A 25 11,-2.0 11,-2.5 -2,-0.3 2,-0.5 -0.990 19.2-129.9-134.7 146.5 53.4 -14.7 18.1 40 46 A L E -D 49 0A 30 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.848 23.1-160.8 -91.6 127.7 50.0 -14.0 19.6 41 47 A D E +D 48 0A 6 7,-3.8 7,-2.5 -2,-0.5 3,-0.2 -0.938 16.7 179.4-114.6 132.6 48.2 -17.2 20.7 42 48 A Y + 0 0 123 -2,-0.4 -1,-0.1 5,-0.2 7,-0.0 0.432 52.5 105.0-105.7 -1.9 44.4 -17.3 21.2 43 49 A S S S+ 0 0 92 5,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.486 70.8 55.9 -72.3 -12.2 43.9 -20.9 22.1 44 50 A A S S- 0 0 48 2,-0.5 4,-0.1 -3,-0.2 0, 0.0 -0.147 105.1 -81.1-101.9-160.3 43.4 -20.6 25.9 45 51 A E S S+ 0 0 191 -2,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.714 115.4 29.2 -76.5 -23.7 40.8 -18.6 28.0 46 52 A Q S S- 0 0 130 -5,-0.0 -2,-0.5 1,-0.0 75,-0.1 -0.901 100.0 -84.4-131.8 159.9 42.9 -15.4 27.6 47 53 A P - 0 0 19 0, 0.0 73,-1.7 0, 0.0 2,-0.4 -0.387 45.9-167.5 -62.6 144.8 45.3 -14.1 25.0 48 54 A R E -DE 41 119A 41 -7,-2.5 -7,-3.8 71,-0.2 2,-0.4 -0.995 11.3-152.4-133.7 141.8 48.9 -15.3 25.3 49 55 A V E -DE 40 118A 0 69,-1.8 69,-3.1 -2,-0.4 2,-0.4 -0.952 10.7-163.5-110.6 135.3 52.1 -14.2 23.7 50 56 A Y E +DE 39 117A 0 -11,-2.5 -11,-2.0 -2,-0.4 2,-0.3 -0.946 16.3 158.4-113.8 142.6 55.1 -16.5 23.0 51 57 A F E -DE 38 116A 0 65,-2.1 65,-3.0 -2,-0.4 2,-0.4 -0.881 32.5-113.6-145.1 171.7 58.6 -15.5 22.3 52 58 A R E - E 0 115A 21 -15,-0.6 2,-0.4 -2,-0.3 63,-0.2 -0.898 14.7-160.9-110.2 149.1 62.0 -17.2 22.6 53 59 A T E E 0 114A 17 61,-2.6 61,-1.8 -2,-0.4 4,-0.0 -0.984 360.0 360.0-126.5 115.3 65.0 -16.4 24.7 54 60 A A 0 0 45 -2,-0.4 -1,-0.1 59,-0.2 3,-0.1 0.913 360.0 360.0 -73.3 360.0 68.5 -17.7 23.8 55 ! 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 56 63 A T 0 0 108 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.8 71.9 -13.7 26.6 57 64 A K + 0 0 186 2,-0.1 3,-0.3 1,-0.1 -4,-0.0 0.741 360.0 133.5 47.4 30.9 70.3 -13.2 30.1 58 65 A L S S+ 0 0 75 1,-0.3 2,-0.6 -26,-0.0 -1,-0.1 0.940 76.0 29.8 -71.7 -53.9 67.8 -10.7 28.6 59 66 A F S S+ 0 0 24 -34,-0.0 -1,-0.3 4,-0.0 2,-0.3 -0.950 86.3 171.1-108.6 107.9 64.8 -12.3 30.4 60 67 A S > - 0 0 38 -2,-0.6 3,-1.7 -3,-0.3 0, 0.0 -0.778 47.3-111.4-115.2 155.5 66.1 -13.9 33.6 61 68 A V T 3 S+ 0 0 140 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.707 114.4 64.1 -62.5 -17.8 64.1 -15.4 36.5 62 69 A N T 3 S+ 0 0 89 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.579 83.0 90.5 -84.3 -11.7 65.3 -12.5 38.8 63 70 A L S < S- 0 0 28 -3,-1.7 -36,-0.2 1,-0.1 -4,-0.0 -0.538 98.3 -95.4 -70.5 146.0 63.4 -10.0 36.6 64 71 A N - 0 0 72 -38,-2.8 -38,-0.3 -2,-0.2 23,-0.1 -0.391 24.7-130.3 -55.2 146.3 59.9 -9.5 37.9 65 72 A S S S+ 0 0 38 21,-0.1 22,-3.2 -4,-0.1 2,-0.4 0.749 87.4 97.2 -70.0 -15.8 57.4 -11.8 36.1 66 73 A D E + F 0 86A 53 20,-0.2 -40,-0.3 -40,-0.1 2,-0.3 -0.584 56.6 154.2 -80.6 122.6 55.3 -8.6 35.6 67 74 A V E - F 0 85A 3 18,-2.6 18,-2.3 -2,-0.4 2,-0.4 -0.855 39.3-131.0-138.4 166.7 56.1 -7.1 32.2 68 75 A L E -CF 24 84A 58 -44,-1.7 -44,-3.1 -2,-0.3 2,-0.4 -0.948 16.2-159.1-117.1 154.9 54.7 -5.0 29.4 69 76 A F E -CF 23 83A 1 14,-2.3 14,-3.8 -2,-0.4 2,-0.4 -0.998 14.3-171.1-132.3 129.3 54.7 -6.0 25.8 70 77 A E E +CF 22 82A 36 -48,-2.3 -48,-2.8 -2,-0.4 2,-0.3 -0.949 17.1 177.9-131.2 139.3 54.5 -3.3 23.1 71 78 A V E + F 0 81A 1 10,-2.4 10,-2.8 -2,-0.4 2,-0.3 -0.969 19.5 168.1-127.8 143.4 54.0 -3.1 19.4 72 79 A D E - F 0 80A 53 -2,-0.3 8,-0.2 8,-0.2 2,-0.2 -0.927 27.1-162.2-145.2 175.9 53.7 0.1 17.4 73 80 A R E + F 0 79A 145 6,-2.2 6,-2.3 -2,-0.3 2,-0.2 -0.740 29.1 162.5-162.0 119.3 53.7 1.9 13.9 74 81 A F 0 0 127 4,-0.3 4,-0.2 -2,-0.2 -2,-0.0 -0.640 360.0 360.0-141.1 175.3 54.2 5.5 13.7 75 82 A D 0 0 157 2,-0.2 3,-0.1 -2,-0.2 0, 0.0 -0.364 360.0 360.0-151.3 360.0 55.1 8.4 11.3 76 ! 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 77 85 A E 0 0 152 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 169.8 49.9 9.6 12.6 78 86 A G E - G 0 128A 12 50,-2.0 50,-2.4 -4,-0.2 2,-0.3 -0.986 360.0-127.4-173.8-169.6 50.4 6.2 14.2 79 87 A W E -FG 73 127A 34 -6,-2.3 -6,-2.2 -2,-0.3 2,-0.3 -0.978 11.7-170.7-147.3 157.0 49.2 3.5 16.7 80 88 A S E -FG 72 126A 8 46,-2.3 46,-2.8 -2,-0.3 2,-0.4 -0.982 9.1-155.5-144.5 153.1 50.6 1.4 19.6 81 89 A V E -FG 71 125A 0 -10,-2.8 -10,-2.4 -2,-0.3 2,-0.5 -0.998 10.9-166.6-128.7 129.9 49.3 -1.5 21.5 82 90 A V E -FG 70 124A 20 42,-2.5 42,-2.4 -2,-0.4 2,-0.5 -0.984 2.4-162.0-117.7 124.6 50.6 -2.2 25.1 83 91 A L E -FG 69 123A 0 -14,-3.8 -14,-2.3 -2,-0.5 2,-0.5 -0.879 4.7-154.7-100.5 134.8 49.9 -5.5 26.9 84 92 A K E +FG 68 122A 78 38,-2.0 37,-3.0 -2,-0.5 38,-1.7 -0.937 40.6 116.8 -98.0 135.6 50.3 -5.8 30.6 85 93 A G E -FG 67 120A 0 -18,-2.3 -18,-2.6 -2,-0.5 2,-0.4 -0.915 59.6 -82.6-169.0-166.7 51.0 -9.3 31.8 86 94 A N E -FG 66 119A 36 33,-1.8 33,-2.8 -2,-0.3 2,-0.4 -0.995 33.9-151.7-123.3 129.5 53.2 -11.9 33.5 87 95 A A E + G 0 118A 2 -22,-3.2 2,-0.4 -2,-0.4 31,-0.2 -0.861 18.2 171.6-107.2 133.9 55.9 -13.7 31.6 88 96 A Y E - G 0 117A 69 29,-2.6 29,-3.1 -2,-0.4 2,-0.1 -0.999 39.6-110.0-137.8 141.6 57.1 -17.2 32.4 89 97 A V E - G 0 116A 33 -2,-0.4 27,-0.2 27,-0.3 25,-0.0 -0.463 45.6-116.7 -59.1 143.6 59.5 -19.7 30.8 90 98 A V + 0 0 5 25,-2.0 2,-2.8 1,-0.2 5,-0.1 0.806 40.5 170.1 -70.8 -42.0 57.2 -22.5 29.4 91 99 A R + 0 0 185 24,-0.2 2,-0.6 1,-0.1 -1,-0.2 -0.117 42.8 105.9 68.7 -53.1 58.0 -25.9 31.2 92 100 A D >> - 0 0 88 -2,-2.8 4,-2.4 1,-0.2 3,-1.3 -0.540 63.2-147.9 -68.2 107.3 55.1 -28.1 30.0 93 101 A T H 3> S+ 0 0 97 -2,-0.6 4,-1.7 1,-0.3 5,-0.2 0.897 102.6 49.3 -38.9 -48.8 56.5 -30.6 27.3 94 102 A E H 3> S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.833 110.6 49.7 -61.1 -34.1 53.0 -30.3 25.6 95 103 A E H <> S+ 0 0 23 -3,-1.3 4,-3.3 2,-0.2 5,-0.2 0.935 107.9 50.2 -78.5 -47.1 53.1 -26.5 25.7 96 104 A A H X S+ 0 0 36 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.888 112.8 50.1 -43.1 -46.7 56.7 -26.0 24.2 97 105 A R H < S+ 0 0 144 -4,-1.7 -2,-0.2 -5,-0.4 -1,-0.2 0.926 111.9 46.6 -63.0 -49.0 55.5 -28.3 21.4 98 106 A H H >< S+ 0 0 43 -4,-1.9 3,-1.9 1,-0.2 4,-0.3 0.927 109.8 52.9 -54.0 -51.8 52.4 -26.3 20.9 99 107 A A H >< S+ 0 0 1 -4,-3.3 3,-1.5 1,-0.3 5,-0.3 0.872 101.9 62.6 -56.1 -35.5 54.4 -23.0 20.9 100 108 A D T 3< S+ 0 0 85 -4,-1.8 -1,-0.3 1,-0.3 3,-0.2 0.485 97.4 56.6 -69.2 -5.6 56.6 -24.4 18.2 101 109 A T T < S+ 0 0 105 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.424 83.7 86.2-102.9 -0.4 53.7 -24.7 15.7 102 110 A L S < S- 0 0 49 -3,-1.5 -1,-0.1 -4,-0.3 -2,-0.1 0.490 103.0-106.2 -86.4 -5.5 52.8 -21.0 15.9 103 111 A G + 0 0 57 -3,-0.2 2,-0.2 1,-0.2 -3,-0.1 0.797 53.9 164.5 88.7 31.9 55.2 -19.8 13.2 104 112 A L - 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