==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-FEB-10 2KUL . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE VRK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.SHIN,H.YOON . 360 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 61.1 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 . 39 10.8 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 0.3 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 . 37 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 2 1 0 0 1 1 1 1 1 0 0 1 0 1 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 . 1 2 2 1 0 1 1 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 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 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 0 218 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.6 -17.0 -26.7 -46.3 2 2 A P - 0 0 135 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.424 360.0-175.4 -76.3 143.3 -14.0 -24.6 -45.2 3 3 A R - 0 0 234 -2,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.983 18.1-134.2-135.0 148.2 -14.2 -20.8 -44.9 4 4 A V + 0 0 151 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.878 30.3 162.2-106.7 134.3 -11.5 -18.3 -44.1 5 5 A K + 0 0 196 -2,-0.4 2,-0.1 0, 0.0 -2,-0.0 -0.980 8.2 137.4-152.7 135.5 -12.1 -15.5 -41.6 6 6 A A + 0 0 105 -2,-0.3 2,-0.1 1,-0.0 -2,-0.0 -0.533 8.9 141.9 179.7 108.6 -9.9 -13.1 -39.6 7 7 A A + 0 0 95 -2,-0.1 2,-0.2 1,-0.1 -1,-0.0 -0.603 36.5 94.6-158.1 90.4 -10.2 -9.4 -38.9 8 8 A Q + 0 0 190 -2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.561 37.9 128.3-178.7 109.7 -9.2 -8.0 -35.5 9 9 A A + 0 0 105 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 -0.973 37.4 48.7-164.6 151.3 -5.9 -6.4 -34.5 10 10 A G + 0 0 78 -2,-0.3 -1,-0.3 1,-0.1 2,-0.1 0.832 38.6 159.6 83.2 105.5 -4.4 -3.3 -32.8 11 11 A R + 0 0 230 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.489 26.1 117.6-157.6 79.5 -5.6 -1.9 -29.6 12 12 A Q - 0 0 190 -2,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.944 31.2-175.4-146.1 126.9 -3.2 0.4 -27.7 13 13 A S + 0 0 113 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.985 4.6 174.9-127.2 126.8 -3.7 4.0 -26.9 14 14 A S + 0 0 119 -2,-0.4 2,-0.1 2,-0.0 -2,-0.0 -0.978 14.8 145.8-133.3 119.4 -1.1 6.3 -25.1 15 15 A A + 0 0 103 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.522 13.7 136.6-158.0 80.1 -1.7 10.0 -24.7 16 16 A K + 0 0 169 -2,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.981 19.0 170.4-124.7 145.1 -0.4 11.8 -21.6 17 17 A R - 0 0 208 -2,-0.4 2,-0.1 2,-0.0 -2,-0.0 -0.989 19.1-163.8-149.8 149.5 1.3 15.2 -21.6 18 18 A H + 0 0 113 -2,-0.3 2,-0.4 23,-0.0 -2,-0.0 -0.547 36.5 129.8-142.6 75.6 2.5 17.7 -18.9 19 19 A L + 0 0 132 1,-0.1 3,-0.1 -2,-0.1 22,-0.0 -0.985 15.5 165.4-124.9 120.5 3.3 21.2 -20.2 20 20 A A + 0 0 41 -2,-0.4 2,-3.0 1,-0.1 3,-0.3 0.870 5.7 164.6 -98.0 -51.3 1.6 24.0 -18.3 21 21 A E + 0 0 192 1,-0.2 3,-0.2 0, 0.0 -1,-0.1 -0.323 67.3 56.7 69.2 -63.0 3.6 27.1 -19.5 22 22 A Q S S- 0 0 147 -2,-3.0 2,-0.4 1,-0.2 -1,-0.2 0.996 122.9 -14.1 -66.2 -72.0 1.1 29.7 -18.3 23 23 A F S S+ 0 0 164 -3,-0.3 -1,-0.2 4,-0.0 3,-0.1 -0.911 106.9 64.2-144.8 113.1 0.7 29.1 -14.6 24 24 A A S > S+ 0 0 21 1,-0.5 3,-1.9 -2,-0.4 2,-0.3 -0.201 72.8 82.3 179.4 -63.7 1.8 26.0 -12.6 25 25 A V T 3 S+ 0 0 84 1,-0.3 -1,-0.5 13,-0.1 15,-0.2 -0.463 101.8 22.0 -65.3 121.6 5.5 25.6 -12.6 26 26 A G T 3 S+ 0 0 31 13,-3.1 2,-0.8 1,-0.3 -1,-0.3 0.441 78.6 146.5 99.8 1.3 7.0 27.8 -9.9 27 27 A E < - 0 0 55 -3,-1.9 12,-2.2 12,-0.3 2,-0.4 -0.624 37.1-153.0 -70.0 110.1 3.9 28.2 -7.8 28 28 A I E -A 38 0A 80 -2,-0.8 2,-0.4 10,-0.2 10,-0.3 -0.742 12.3-170.9 -89.7 133.5 5.3 28.4 -4.3 29 29 A I E -A 37 0A 25 8,-2.5 8,-3.0 -2,-0.4 2,-0.5 -0.984 15.8-141.1-129.6 122.4 3.0 27.3 -1.5 30 30 A T E -A 36 0A 53 -2,-0.4 6,-0.3 6,-0.3 88,-0.2 -0.709 22.9-163.2 -84.7 125.7 3.7 27.8 2.2 31 31 A D > - 0 0 7 4,-2.3 3,-1.5 -2,-0.5 86,-0.3 -0.202 40.4 -84.4 -95.2-170.5 2.7 24.8 4.4 32 32 A M T 3 S+ 0 0 127 84,-3.1 85,-0.1 1,-0.3 83,-0.1 0.714 127.0 63.3 -71.7 -20.6 2.1 24.5 8.1 33 33 A A T 3 S- 0 0 52 83,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.414 117.6-116.7 -81.7 2.0 5.8 23.9 8.6 34 34 A K S < S+ 0 0 166 -3,-1.5 2,-0.4 1,-0.3 -2,-0.1 0.700 71.6 133.3 71.2 24.4 6.2 27.4 7.3 35 35 A K - 0 0 96 -6,-0.1 -4,-2.3 2,-0.0 2,-1.0 -0.880 53.7-138.9-103.1 136.7 8.1 26.4 4.2 36 36 A E E -A 30 0A 113 -2,-0.4 2,-0.4 -6,-0.3 -6,-0.3 -0.808 24.2-154.4 -96.7 97.4 7.1 27.8 0.8 37 37 A W E -A 29 0A 5 -8,-3.0 -8,-2.5 -2,-1.0 2,-0.8 -0.571 5.3-142.4 -80.9 128.1 7.4 24.9 -1.5 38 38 A K E -A 28 0A 53 -2,-0.4 18,-2.4 -10,-0.3 17,-1.7 -0.800 15.9-141.9 -92.0 108.0 8.0 25.6 -5.2 39 39 A V E +B 54 0B 19 -12,-2.2 -13,-3.1 -2,-0.8 -12,-0.3 -0.473 26.7 171.4 -68.7 136.1 6.1 23.1 -7.3 40 40 A G E + 0 0 3 13,-3.0 14,-0.2 1,-0.3 -1,-0.1 0.695 50.2 13.9-109.1 -86.1 8.0 22.0 -10.4 41 41 A L E - 0 0 98 12,-0.3 12,-2.8 -16,-0.1 2,-0.8 -0.803 64.7-127.1-106.8 136.5 6.8 19.2 -12.6 42 42 A P E +B 52 0B 28 0, 0.0 10,-0.2 0, 0.0 9,-0.1 -0.712 26.2 178.8 -78.1 106.7 3.3 17.6 -12.7 43 43 A I - 0 0 36 8,-1.6 9,-0.2 -2,-0.8 3,-0.1 0.941 12.6-163.8 -73.9 -49.5 3.9 13.9 -12.3 44 44 A G + 0 0 28 7,-2.2 6,-2.1 1,-0.3 2,-0.2 0.092 60.3 84.6 87.6 -23.6 0.2 12.9 -12.3 45 45 A Q + 0 0 53 6,-0.3 2,-0.3 4,-0.3 -1,-0.3 -0.655 49.5 92.4-110.4 164.8 1.1 9.5 -11.0 46 46 A G S S- 0 0 23 303,-0.4 2,-1.4 -2,-0.2 4,-0.1 -0.938 89.4 -34.7 146.8-166.6 1.6 8.2 -7.4 47 47 A G S S+ 0 0 7 -2,-0.3 150,-0.3 1,-0.1 303,-0.1 -0.193 138.8 5.9 -82.5 46.7 -0.4 6.7 -4.6 48 48 A F S S- 0 0 44 -2,-1.4 303,-0.3 301,-0.5 2,-0.2 -0.089 106.9-103.0 177.9 -59.0 -3.4 8.7 -5.5 49 49 A G S S+ 0 0 13 -4,-0.2 23,-0.5 301,-0.1 -4,-0.3 -0.401 90.1 57.3 124.3 154.8 -3.0 10.7 -8.7 50 50 A C S S+ 0 0 86 -6,-2.1 2,-0.3 1,-0.2 22,-0.2 0.842 70.9 167.5 59.3 38.4 -2.3 14.3 -9.8 51 51 A I - 0 0 8 -6,-0.2 -7,-2.2 20,-0.1 -8,-1.6 -0.629 21.8-149.7 -88.4 138.4 0.9 14.3 -7.7 52 52 A Y E -BC 42 70B 85 18,-2.4 18,-2.8 -2,-0.3 2,-0.3 -0.781 7.4-131.1-108.1 152.6 3.4 17.1 -8.1 53 53 A L E - C 0 69B 63 -12,-2.8 -13,-3.0 -2,-0.3 2,-0.7 -0.805 22.9-122.6-100.7 143.6 7.2 17.1 -7.8 54 54 A A E +B 39 0B 3 14,-2.2 14,-0.4 -2,-0.3 -15,-0.2 -0.766 31.5 170.9 -92.6 114.7 8.9 19.7 -5.7 55 55 A D - 0 0 78 -17,-1.7 -16,-0.2 -2,-0.7 -1,-0.2 0.866 27.0-178.3 -85.0 -40.8 11.5 21.7 -7.6 56 56 A M - 0 0 20 -18,-2.4 2,-0.8 1,-0.1 -19,-0.1 0.161 41.3 -54.2 63.2 174.0 12.1 24.3 -4.9 57 57 A N - 0 0 113 1,-0.0 2,-1.6 -31,-0.0 3,-0.2 -0.780 46.6-153.8 -89.6 108.7 14.4 27.3 -5.0 58 58 A S + 0 0 95 -2,-0.8 -2,-0.1 1,-0.2 -1,-0.0 -0.635 32.4 155.4 -83.3 83.4 17.9 26.1 -5.9 59 59 A S S S- 0 0 97 -2,-1.6 -1,-0.2 0, 0.0 3,-0.0 0.988 74.5 -54.4 -70.8 -66.1 19.8 29.0 -4.2 60 60 A E S S+ 0 0 183 -3,-0.2 2,-0.3 0, 0.0 -2,-0.1 0.432 122.8 7.1-144.8 -55.6 23.2 27.3 -3.6 61 61 A S - 0 0 96 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 -0.773 69.6-153.9-142.8 93.3 22.7 24.1 -1.6 62 62 A V - 0 0 62 -2,-0.3 -4,-0.1 1,-0.1 -6,-0.0 -0.375 10.4-145.0 -64.6 143.2 19.2 22.9 -1.1 63 63 A G - 0 0 57 -2,-0.1 -1,-0.1 1,-0.0 3,-0.0 0.878 62.4 -46.2 -75.8-100.4 18.7 20.8 2.0 64 64 A S S S+ 0 0 69 2,-0.1 -2,-0.1 1,-0.1 -1,-0.0 0.165 112.5 98.1-120.2 14.5 16.1 18.0 1.8 65 65 A D S S+ 0 0 24 1,-0.2 3,-0.3 -8,-0.1 -1,-0.1 0.759 77.9 54.2 -78.4 -27.1 13.4 20.2 0.2 66 66 A A S S+ 0 0 28 1,-0.2 2,-2.4 -9,-0.1 -12,-0.3 0.941 93.8 64.8 -76.1 -50.4 14.1 19.1 -3.4 67 67 A P S S+ 0 0 41 0, 0.0 66,-1.1 0, 0.0 2,-0.3 -0.173 89.6 92.7 -74.2 51.4 13.8 15.2 -3.1 68 68 A C E - D 0 132B 1 -2,-2.4 -14,-2.2 -14,-0.4 2,-0.3 -0.929 55.7-153.5-138.9 162.4 10.1 15.3 -2.2 69 69 A V E -CD 53 131B 4 62,-2.7 62,-3.1 -2,-0.3 2,-0.4 -0.869 12.1-138.8-129.5 166.4 6.7 15.1 -3.8 70 70 A V E -CD 52 130B 7 -18,-2.8 -18,-2.4 -2,-0.3 2,-0.3 -0.987 4.1-144.6-136.3 129.0 3.3 16.4 -2.8 71 71 A K E - D 0 129B 2 58,-2.4 58,-1.7 -2,-0.4 2,-0.5 -0.681 17.4-141.8 -85.3 142.5 -0.2 14.9 -3.1 72 72 A V E + D 0 128B 36 -23,-0.5 56,-0.2 -2,-0.3 54,-0.0 -0.911 23.8 174.1-108.8 132.0 -3.1 17.2 -3.8 73 73 A E E - D 0 127B 8 54,-2.2 54,-3.3 -2,-0.5 2,-0.0 -0.999 33.7-108.9-140.1 135.6 -6.5 16.7 -2.1 74 74 A P E > - D 0 126B 50 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.345 26.6-124.8 -62.1 143.5 -9.8 18.7 -2.1 75 75 A S T 3 S+ 0 0 25 50,-2.1 51,-0.1 1,-0.3 45,-0.0 0.510 102.5 84.3 -71.6 -2.6 -10.5 20.5 1.2 76 76 A D T 3 S- 0 0 139 49,-0.2 -1,-0.3 0, 0.0 50,-0.1 0.740 97.9-137.9 -68.2 -22.2 -13.9 18.6 1.2 77 77 A N < + 0 0 53 -3,-2.0 -2,-0.1 50,-0.0 -4,-0.0 0.919 42.1 162.3 68.6 105.5 -11.8 15.9 2.8 78 78 A G S S- 0 0 21 -4,-0.3 4,-0.3 275,-0.0 3,-0.1 0.595 81.1 -14.7-108.4 -89.6 -12.1 12.3 1.9 79 79 A P S > S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 3,-0.2 0.678 117.8 88.3 -84.8 -20.7 -9.2 10.0 2.9 80 80 A L H > S+ 0 0 9 1,-0.2 4,-3.5 2,-0.2 5,-0.4 0.837 83.9 48.9 -52.3 -49.5 -6.9 13.0 3.5 81 81 A F H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 117.2 41.6 -61.2 -45.2 -7.8 13.6 7.2 82 82 A T H > S+ 0 0 31 -4,-0.3 4,-1.9 -3,-0.2 5,-0.2 0.939 120.6 43.4 -64.9 -46.5 -7.3 10.0 8.1 83 83 A E H X S+ 0 0 2 -4,-3.0 4,-3.2 2,-0.2 -2,-0.2 0.952 117.9 42.6 -65.3 -52.4 -4.2 9.6 6.0 84 84 A L H X S+ 0 0 35 -4,-3.5 4,-3.3 -5,-0.2 5,-0.3 0.871 111.4 55.6 -65.9 -39.4 -2.5 12.8 7.0 85 85 A K H X S+ 0 0 98 -4,-2.1 4,-1.6 -5,-0.4 -1,-0.2 0.951 116.3 36.8 -59.1 -49.7 -3.4 12.5 10.7 86 86 A F H X S+ 0 0 18 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.918 116.5 54.9 -65.9 -44.4 -1.7 9.1 10.8 87 87 A Y H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.941 112.5 40.6 -55.0 -53.9 1.0 10.2 8.4 88 88 A Q H < S+ 0 0 97 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.824 118.2 49.3 -66.5 -31.8 2.0 13.2 10.5 89 89 A R H < S+ 0 0 154 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.795 120.1 34.8 -78.8 -29.5 1.7 11.2 13.7 90 90 A A H < S+ 0 0 0 -4,-2.6 2,-2.1 1,-0.2 -2,-0.2 0.812 102.2 73.0 -95.7 -35.4 3.7 8.2 12.4 91 91 A A < + 0 0 2 -4,-3.0 22,-0.3 -5,-0.3 -1,-0.2 -0.479 63.7 135.8 -83.6 71.5 6.3 10.0 10.3 92 92 A K > - 0 0 117 -2,-2.1 4,-3.3 1,-0.1 5,-0.3 -0.925 47.5-152.0-125.0 103.8 8.3 11.4 13.3 93 93 A P H > S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.822 96.2 47.5 -43.0 -47.9 12.1 11.1 13.0 94 94 A E H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.980 117.4 39.7 -58.0 -60.2 12.5 11.0 16.7 95 95 A Q H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.879 113.1 56.1 -61.7 -41.5 9.9 8.4 17.4 96 96 A I H X S+ 0 0 29 -4,-3.3 4,-2.3 1,-0.2 5,-0.4 0.949 109.4 44.7 -58.0 -52.3 10.7 6.3 14.4 97 97 A Q H X S+ 0 0 136 -4,-2.0 4,-1.8 -5,-0.3 5,-0.2 0.907 115.8 50.0 -58.5 -42.6 14.3 5.8 15.3 98 98 A K H X S+ 0 0 113 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.981 117.5 33.2 -61.9 -62.7 13.4 5.1 18.9 99 99 A W H X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 6,-0.3 0.857 117.3 54.6 -70.9 -35.2 10.7 2.4 18.5 100 100 A I H <>S+ 0 0 19 -4,-2.3 5,-2.1 -5,-0.4 -1,-0.2 0.940 114.0 41.4 -61.9 -45.6 12.2 0.8 15.4 101 101 A R H ><5S+ 0 0 225 -4,-1.8 3,-0.7 -5,-0.4 -2,-0.2 0.904 118.9 44.8 -69.2 -41.3 15.5 0.3 17.2 102 102 A T H 3<5S+ 0 0 98 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.815 112.9 48.8 -76.4 -31.8 14.0 -0.8 20.5 103 103 A R T 3<5S- 0 0 94 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.379 109.8-122.2 -89.7 5.5 11.4 -3.2 19.0 104 104 A K T < 5 + 0 0 168 -3,-0.7 -3,-0.2 -4,-0.2 -4,-0.1 0.778 54.8 166.4 61.7 30.4 14.1 -4.7 16.8 105 105 A L < - 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