==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 29-APR-11 2LCI . COMPND 2 MOLECULE: PROTEIN OR36; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR G.LIU,N.KOGA,R.KOGA,R.XIAO,H.JANJUA,C.CICCOSANTI,H.LEE,T.B.A . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 79.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 17 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 42.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.0 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 0 0 0 1 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 145 0, 0.0 51,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 138.4 2.6 7.8 14.9 2 2 A K - 0 0 8 49,-0.2 75,-0.5 52,-0.0 2,-0.4 -0.501 360.0-141.1 178.1 125.4 2.1 4.6 12.9 3 3 A I - 0 0 11 49,-0.4 51,-1.9 73,-0.2 2,-0.6 -0.800 7.7-163.1-103.5 126.9 3.1 4.1 9.3 4 4 A L E -ab 54 78A 0 73,-2.1 2,-0.9 -2,-0.4 75,-0.8 -0.943 9.7-153.2-110.6 106.9 0.9 2.1 6.8 5 5 A I E -ab 55 79A 0 49,-2.0 51,-1.5 -2,-0.6 2,-0.4 -0.744 19.1-153.1 -80.8 103.7 2.9 1.2 3.6 6 6 A L E +ab 56 80A 0 -2,-0.9 75,-2.0 73,-0.9 2,-0.4 -0.700 18.4 176.8 -89.0 124.6 0.1 0.9 1.1 7 7 A I E -ab 57 81A 1 49,-2.6 51,-2.1 -2,-0.4 2,-0.5 -0.988 12.7-172.9-132.2 121.5 0.7 -1.5 -1.9 8 8 A N E + b 0 82A 3 73,-2.8 75,-1.9 -2,-0.4 2,-0.3 -0.980 16.5 172.6-109.0 117.3 -1.8 -2.3 -4.6 9 9 A T - 0 0 0 -2,-0.5 75,-0.1 73,-0.2 -2,-0.0 -0.937 34.6-148.1-124.0 147.6 -0.6 -5.1 -6.9 10 10 A N S S+ 0 0 98 73,-0.4 2,-0.4 -2,-0.3 74,-0.1 0.633 82.9 72.2 -83.3 -17.2 -2.5 -6.9 -9.7 11 11 A N > - 0 0 53 1,-0.1 4,-0.9 72,-0.1 3,-0.1 -0.854 64.5-154.0-109.1 134.6 -0.4 -10.2 -9.1 12 12 A D H > S+ 0 0 113 -2,-0.4 4,-1.4 1,-0.2 5,-0.2 0.710 99.3 68.2 -68.2 -24.9 -0.7 -12.6 -6.0 13 13 A E H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 97.7 49.9 -57.3 -48.1 3.0 -13.4 -6.8 14 14 A L H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.848 103.1 61.2 -61.4 -37.5 3.9 -9.8 -5.7 15 15 A I H X S+ 0 0 13 -4,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.938 111.0 37.6 -56.2 -51.7 2.0 -10.2 -2.4 16 16 A K H X S+ 0 0 132 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.816 115.1 53.9 -73.1 -33.9 4.1 -13.1 -1.2 17 17 A K H X S+ 0 0 75 -4,-1.9 4,-2.0 2,-0.2 3,-0.4 0.907 110.1 48.1 -66.5 -41.2 7.4 -11.7 -2.6 18 18 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.871 103.6 61.8 -64.5 -39.0 6.8 -8.4 -0.7 19 19 A K H < S+ 0 0 75 -4,-1.7 4,-0.2 -5,-0.2 -1,-0.2 0.828 110.0 41.1 -54.9 -36.1 6.0 -10.5 2.5 20 20 A K H >X S+ 0 0 112 -4,-1.0 4,-0.7 -3,-0.4 3,-0.5 0.867 111.1 55.8 -79.6 -42.7 9.7 -11.8 2.3 21 21 A E H 3< S+ 0 0 37 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.794 118.6 34.4 -54.8 -33.4 11.1 -8.4 1.3 22 22 A V T >X>S+ 0 0 2 -4,-2.0 5,-1.7 1,-0.1 4,-0.7 0.402 95.2 88.3-107.7 -1.7 9.6 -6.9 4.5 23 23 A E T <45S+ 0 0 119 -3,-0.5 3,-0.4 1,-0.2 -2,-0.1 0.890 97.4 38.7 -63.8 -42.3 10.0 -10.0 6.8 24 24 A N T 3<5S+ 0 0 134 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.402 112.2 61.5 -86.4 -2.2 13.5 -8.9 7.8 25 25 A Q T <45S- 0 0 87 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.513 106.3-121.1-102.7 -10.7 12.3 -5.2 8.0 26 26 A G T <5 + 0 0 43 -4,-0.7 2,-0.6 -3,-0.4 27,-0.2 0.779 62.6 141.7 74.1 29.8 9.6 -5.7 10.7 27 27 A Y < - 0 0 12 -5,-1.7 2,-0.7 -8,-0.1 27,-0.2 -0.924 47.5-138.8-106.3 111.3 6.6 -4.5 8.6 28 28 A Q E -c 54 0A 128 25,-2.2 27,-2.4 -2,-0.6 2,-0.2 -0.608 18.0-140.7 -75.2 107.8 3.5 -6.6 9.3 29 29 A V E -c 55 0A 29 -2,-0.7 2,-0.4 25,-0.2 27,-0.2 -0.463 14.6-166.7 -69.9 135.5 1.7 -7.3 6.0 30 30 A R E -c 56 0A 108 25,-1.8 27,-2.2 -2,-0.2 2,-0.6 -0.977 6.7-156.7-124.5 112.1 -2.1 -7.1 6.0 31 31 A D E -c 57 0A 84 -2,-0.4 2,-0.5 25,-0.2 27,-0.2 -0.838 10.4-171.1 -94.7 117.0 -3.7 -8.6 2.8 32 32 A V E +c 58 0A 0 25,-2.3 28,-0.6 -2,-0.6 27,-0.5 -0.952 26.7 146.5-115.6 114.0 -7.3 -7.2 2.3 33 33 A N + 0 0 73 -2,-0.5 2,-0.3 25,-0.1 -1,-0.1 0.118 62.4 59.6-132.5 14.8 -9.4 -8.8 -0.5 34 34 A D S > S- 0 0 87 1,-0.1 4,-1.8 26,-0.1 -1,-0.1 -0.990 75.1-130.7-147.4 142.5 -12.9 -8.4 1.1 35 35 A S H > S+ 0 0 63 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.797 109.7 52.7 -60.9 -36.6 -14.9 -5.4 2.3 36 36 A D H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 107.2 52.1 -63.3 -45.3 -15.7 -6.9 5.7 37 37 A E H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.876 110.2 50.2 -60.9 -40.5 -11.9 -7.6 6.3 38 38 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 5,-0.3 0.966 111.4 46.4 -54.6 -58.6 -11.3 -3.9 5.5 39 39 A K H < S+ 0 0 110 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.671 116.3 46.7 -67.3 -23.1 -13.9 -2.6 7.9 40 40 A K H X S+ 0 0 114 -4,-1.7 4,-0.9 -5,-0.1 3,-0.2 0.957 119.0 33.4 -78.1 -60.6 -12.7 -4.9 10.7 41 41 A E H X S+ 0 0 13 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.747 112.6 58.8 -77.5 -28.8 -8.9 -4.5 10.7 42 42 A M H X S+ 0 0 3 -4,-2.3 4,-0.9 -5,-0.3 -1,-0.2 0.876 103.6 53.3 -69.5 -37.3 -8.8 -0.7 9.6 43 43 A K H > S+ 0 0 111 -5,-0.3 4,-2.5 -4,-0.3 3,-0.3 0.845 105.2 56.6 -60.7 -33.1 -10.8 0.2 12.8 44 44 A K H X S+ 0 0 106 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.811 98.8 58.5 -69.4 -31.9 -8.1 -1.8 14.7 45 45 A L H < S+ 0 0 10 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.803 115.5 37.3 -65.5 -27.7 -5.4 0.6 13.2 46 46 A A H < S+ 0 0 42 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.838 118.6 47.6 -86.6 -39.6 -7.4 3.4 14.8 47 47 A E H < S+ 0 0 121 -4,-2.5 2,-0.8 -5,-0.1 -3,-0.2 0.680 98.0 73.4 -84.2 -21.3 -8.4 1.6 18.1 48 48 A E < - 0 0 85 -4,-2.1 4,-0.2 -5,-0.2 -1,-0.1 -0.873 67.3-165.9 -93.6 106.9 -4.8 0.2 18.8 49 49 A K + 0 0 195 -2,-0.8 -1,-0.1 2,-0.1 -2,-0.1 0.513 48.8 120.6 -74.8 -5.6 -3.0 3.4 20.0 50 50 A N S S- 0 0 117 1,-0.1 2,-1.4 -48,-0.0 -2,-0.1 -0.315 73.1-122.0 -61.1 138.2 0.4 1.6 19.5 51 51 A F + 0 0 167 -49,-0.1 2,-0.3 2,-0.0 -49,-0.2 -0.689 51.0 174.1 -80.4 85.5 2.9 3.1 17.1 52 52 A E - 0 0 47 -2,-1.4 2,-1.0 -4,-0.2 -49,-0.4 -0.783 38.9-123.3-108.7 143.2 3.2 -0.1 15.0 53 53 A K + 0 0 58 -2,-0.3 -25,-2.2 -27,-0.2 2,-0.3 -0.756 45.2 171.2 -84.5 99.0 5.0 -0.8 11.6 54 54 A I E -ac 4 28A 4 -51,-1.9 -49,-2.0 -2,-1.0 2,-0.4 -0.862 24.7-163.9-117.1 147.4 2.2 -2.0 9.3 55 55 A L E -ac 5 29A 0 -27,-2.4 -25,-1.8 -2,-0.3 2,-0.6 -0.998 11.5-155.2-127.5 122.7 2.1 -2.6 5.6 56 56 A I E -ac 6 30A 0 -51,-1.5 -49,-2.6 -2,-0.4 2,-0.5 -0.914 8.0-172.0-104.7 111.0 -1.3 -2.9 3.9 57 57 A I E +ac 7 31A 0 -27,-2.2 -25,-2.3 -2,-0.6 2,-0.4 -0.918 12.9 167.1 -94.1 124.2 -1.5 -5.0 0.6 58 58 A S E - c 0 32A 0 -51,-2.1 -25,-0.1 -2,-0.5 6,-0.1 -0.936 21.4-173.3-139.0 116.7 -4.9 -4.6 -1.0 59 59 A N S S+ 0 0 35 -27,-0.5 2,-0.6 -2,-0.4 -26,-0.1 0.406 71.4 86.2 -87.2 -1.0 -5.3 -5.9 -4.6 60 60 A D > - 0 0 64 -28,-0.6 4,-1.5 1,-0.1 3,-0.2 -0.924 65.6-161.7-105.2 109.5 -8.8 -4.3 -4.6 61 61 A K H > S+ 0 0 47 -2,-0.6 4,-1.8 1,-0.2 -1,-0.1 0.731 90.3 58.8 -67.8 -25.3 -8.6 -0.7 -5.6 62 62 A Q H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 107.8 45.7 -66.3 -44.6 -12.1 0.1 -4.1 63 63 A L H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.793 110.2 55.5 -68.3 -30.8 -10.8 -1.2 -0.7 64 64 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.904 106.8 49.7 -63.9 -46.6 -7.7 0.9 -1.2 65 65 A K H X S+ 0 0 96 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.955 114.0 44.3 -55.1 -54.2 -9.9 4.1 -1.8 66 66 A E H X S+ 0 0 49 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.880 112.5 54.2 -58.0 -43.9 -11.9 3.4 1.4 67 67 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.929 108.5 47.0 -56.1 -52.3 -8.6 2.6 3.3 68 68 A L H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.776 110.7 52.1 -67.8 -31.6 -6.9 6.0 2.4 69 69 A E H X S+ 0 0 91 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.945 112.1 46.6 -64.8 -48.2 -10.1 8.0 3.4 70 70 A L H X S+ 0 0 68 -4,-2.3 4,-0.8 1,-0.2 3,-0.3 0.902 114.0 48.7 -56.4 -44.7 -10.0 6.2 6.8 71 71 A I H >X>S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 5,-1.3 0.866 105.6 57.3 -64.8 -40.1 -6.2 6.9 7.0 72 72 A S H 3<5S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.817 104.4 51.3 -65.5 -33.9 -6.7 10.6 6.1 73 73 A K H 3<5S+ 0 0 159 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.750 117.0 41.2 -70.8 -26.7 -9.1 11.1 9.1 74 74 A L H <<5S- 0 0 68 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.629 104.3-134.2 -93.6 -20.8 -6.5 9.5 11.4 75 75 A G T <5 + 0 0 64 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.885 41.2 166.8 63.9 43.5 -3.5 11.3 9.7 76 76 A Y < - 0 0 41 -5,-1.3 2,-0.4 -75,-0.1 -1,-0.2 -0.660 42.2-105.7 -87.0 146.3 -1.2 8.2 9.4 77 77 A K - 0 0 88 -75,-0.5 -73,-2.1 -2,-0.3 2,-0.4 -0.583 42.1-169.6 -76.5 126.3 1.9 8.3 7.2 78 78 A V E -b 4 0A 3 -2,-0.4 25,-0.7 -75,-0.2 2,-0.4 -0.935 22.1-168.9-121.4 138.3 1.5 6.4 3.9 79 79 A F E -bd 5 103A 14 -75,-0.8 -73,-0.9 -2,-0.4 2,-0.4 -0.982 25.4-156.4-120.4 114.7 3.9 5.3 1.2 80 80 A L E -bd 6 104A 0 23,-2.6 25,-1.7 -2,-0.4 2,-0.5 -0.806 17.0-174.2-104.7 129.5 1.8 4.1 -1.8 81 81 A L E -bd 7 105A 0 -75,-2.0 -73,-2.8 -2,-0.4 2,-0.5 -0.979 9.5-166.8-118.8 113.0 2.9 1.6 -4.6 82 82 A L E -bd 8 106A 1 23,-2.8 25,-0.9 -2,-0.5 2,-0.4 -0.888 7.0-178.8 -99.6 130.4 0.3 1.1 -7.4 83 83 A Q E + d 0 107A 10 -75,-1.9 -73,-0.4 -2,-0.5 2,-0.3 -0.926 18.5 148.3-131.0 104.3 0.9 -1.8 -9.9 84 84 A D - 0 0 23 23,-0.5 23,-0.1 -2,-0.4 -2,-0.0 -0.990 42.2-143.6-137.2 140.9 -1.7 -2.1 -12.6 85 85 A Q S S+ 0 0 149 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.906 89.8 65.3 -70.6 -42.9 -1.3 -3.3 -16.2 86 86 A D >> - 0 0 72 1,-0.1 4,-2.6 2,-0.0 3,-1.0 -0.733 67.7-162.5 -88.6 114.7 -3.7 -0.8 -17.8 87 87 A E H 3> S+ 0 0 101 -2,-0.6 4,-1.9 1,-0.2 5,-0.5 0.554 86.9 70.0 -79.5 -6.6 -2.3 2.7 -17.4 88 88 A N H 34 S+ 0 0 118 2,-0.2 4,-0.3 3,-0.2 -1,-0.2 0.742 113.9 31.7 -74.9 -25.7 -5.8 4.3 -18.0 89 89 A E H <> S+ 0 0 100 -3,-1.0 4,-2.5 3,-0.1 5,-0.3 0.889 122.7 48.7 -83.8 -56.9 -6.6 2.8 -14.6 90 90 A L H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -3,-0.2 0.864 115.9 40.0 -52.3 -52.8 -3.1 3.2 -13.1 91 91 A E H X S+ 0 0 48 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.905 118.2 45.3 -70.3 -47.8 -2.4 6.8 -14.0 92 92 A E H > S+ 0 0 92 -5,-0.5 4,-1.0 -4,-0.3 -2,-0.2 0.889 116.3 46.3 -63.7 -41.7 -5.9 8.3 -13.3 93 93 A F H X S+ 0 0 21 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.880 113.7 51.1 -67.3 -41.0 -6.1 6.4 -10.0 94 94 A K H >X S+ 0 0 25 -4,-2.0 4,-2.3 -5,-0.3 3,-0.6 0.940 106.7 51.2 -57.1 -54.5 -2.6 7.5 -9.1 95 95 A R H 3X S+ 0 0 132 -4,-2.4 4,-1.5 1,-0.3 -1,-0.2 0.666 103.2 59.6 -71.2 -22.2 -3.1 11.2 -9.8 96 96 A K H 3< S+ 0 0 131 -4,-1.0 -1,-0.3 2,-0.2 4,-0.2 0.924 116.5 33.6 -62.0 -46.5 -6.3 11.3 -7.5 97 97 A I H <<>S+ 0 0 7 -4,-1.1 5,-1.6 -3,-0.6 3,-0.3 0.745 116.1 56.6 -83.7 -28.0 -4.2 10.2 -4.5 98 98 A E H ><5S+ 0 0 88 -4,-2.3 3,-1.7 1,-0.2 -3,-0.2 0.824 99.7 59.1 -74.8 -33.7 -1.0 12.1 -5.7 99 99 A S T 3<5S+ 0 0 111 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.702 99.1 60.6 -65.5 -20.5 -3.0 15.4 -5.8 100 100 A Q T 3 5S- 0 0 95 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.335 123.3-108.4 -87.8 1.7 -3.6 14.6 -2.0 101 101 A G T < 5 + 0 0 71 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.511 68.4 149.0 85.7 6.3 0.2 14.8 -1.5 102 102 A Y < - 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