==== 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 SUGAR BINDING PROTEIN 22-OCT-01 1K7V . COMPND 2 MOLECULE: AGGLUTININ ISOLECTIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR M.MURAKI,M.ISHIMURA,K.HARATA . 342 2 32 32 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 60.2 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 . 64 18.7 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 . 11 3.2 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 . 23 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 8 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 . 20 8 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 . 3 5 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 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 X 0 0 76 0, 0.0 23,-0.2 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -32.0 -10.5 -42.9 13.0 2 2 A R - 0 0 80 4,-0.2 2,-0.2 21,-0.1 21,-0.2 -0.353 360.0-155.3 -72.2 164.9 -8.8 -45.6 15.1 3 3 A a > + 0 0 0 19,-2.2 3,-0.9 16,-0.1 4,-0.3 -0.692 48.4 22.8-131.4 179.9 -5.8 -47.4 13.6 4 4 A G G > >S- 0 0 6 6,-1.8 5,-2.9 3,-0.3 3,-1.7 -0.221 128.1 -18.6 59.2-146.3 -3.9 -50.7 13.8 5 5 A E G > 5S+ 0 0 162 1,-0.3 3,-0.8 3,-0.2 -1,-0.2 0.843 142.9 55.0 -62.3 -30.3 -6.0 -53.5 15.3 6 6 A Q G < 5S+ 0 0 51 -3,-0.9 -1,-0.3 1,-0.2 -4,-0.2 0.485 115.2 40.5 -80.2 -2.7 -8.5 -51.1 16.7 7 7 A G G X 5S- 0 0 0 -3,-1.7 3,-1.1 -4,-0.3 -3,-0.3 0.177 119.0 -99.8-132.7 19.3 -9.0 -49.6 13.3 8 8 A S T < 5S- 0 0 80 -3,-0.8 -3,-0.2 -5,-0.3 -4,-0.1 0.793 83.7 -49.7 67.6 34.7 -9.0 -52.6 11.0 9 9 A G T 3 - 0 0 0 4,-0.5 3,-0.7 -2,-0.3 170,-0.1 -0.554 36.0-104.8 -82.3 152.7 -2.4 -42.7 9.7 13 13 A P G > S+ 0 0 30 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.327 98.8 20.2 -74.0 160.4 -1.7 -40.0 7.0 14 14 A N G 3 S- 0 0 65 1,-0.3 3,-0.1 24,-0.1 25,-0.1 0.707 130.2 -66.9 51.6 33.9 1.8 -38.6 6.6 15 15 A N G < S+ 0 0 1 -3,-0.7 24,-3.3 1,-0.2 -1,-0.3 0.573 82.2 171.7 66.1 11.6 3.5 -41.6 8.2 16 16 A L < - 0 0 24 -3,-2.1 -4,-0.5 22,-0.2 2,-0.2 -0.238 37.0-107.6 -52.6 138.2 1.9 -40.6 11.6 17 17 A c E -B 25 0B 0 8,-1.5 8,-1.8 21,-0.2 2,-0.7 -0.500 20.0-138.5 -76.3 136.5 2.5 -43.3 14.2 18 18 A a E -B 24 0B 0 19,-2.4 18,-3.5 -2,-0.2 19,-0.4 -0.839 24.7-134.1 -96.9 111.9 -0.3 -45.5 15.4 19 19 A S > - 0 0 6 4,-2.6 3,-2.2 -2,-0.7 11,-0.1 -0.089 26.3-102.7 -59.2 161.7 -0.1 -45.9 19.1 20 20 A Q T 3 S+ 0 0 62 13,-0.6 -15,-0.1 9,-0.4 -1,-0.1 0.801 124.9 54.0 -56.3 -28.5 -0.5 -49.3 20.7 21 21 A Y T 3 S- 0 0 147 2,-0.1 -1,-0.3 -16,-0.1 -2,-0.1 0.396 124.1-101.3 -85.6 -5.7 -4.0 -48.3 21.6 22 22 A G S < S+ 0 0 0 -3,-2.2 -19,-2.2 1,-0.3 2,-0.3 0.700 75.6 125.3 97.0 23.4 -5.0 -47.3 18.1 23 23 A Y - 0 0 117 -21,-0.2 -4,-2.6 7,-0.0 2,-0.4 -0.799 54.8-118.0-115.1 157.3 -4.7 -43.5 17.8 24 24 A b E +B 18 0B 33 -2,-0.3 2,-0.3 -23,-0.2 -6,-0.2 -0.769 54.3 105.1 -94.8 133.7 -2.8 -41.4 15.3 25 25 A G E -B 17 0B 0 -8,-1.8 -8,-1.5 -2,-0.4 2,-0.3 -0.965 54.4-105.5-175.2-165.7 -0.1 -39.0 16.4 26 26 A M B +C 327 0C 7 301,-1.8 301,-2.9 -2,-0.3 2,-0.2 -0.951 67.6 60.6-142.7 151.4 3.5 -38.1 16.7 27 27 A G S > S- 0 0 3 -2,-0.3 4,-3.0 299,-0.3 3,-0.4 -0.587 100.4 -58.8 118.5 178.9 5.8 -38.2 19.7 28 28 A G H > S+ 0 0 24 297,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.838 127.2 66.7 -67.1 -30.4 6.8 -40.9 22.1 29 29 A D H 4 S+ 0 0 88 -3,-0.2 -9,-0.4 1,-0.2 -1,-0.2 0.895 121.4 15.8 -58.3 -37.8 3.2 -41.6 23.1 30 30 A Y H 4 S+ 0 0 17 -3,-0.4 6,-0.2 -11,-0.1 -2,-0.2 0.834 130.0 45.2-104.9 -42.5 2.5 -42.9 19.6 31 31 A c H < S+ 0 0 0 -4,-3.0 10,-2.7 -14,-0.1 11,-0.8 0.516 109.3 58.8 -81.0 -13.0 5.8 -43.6 17.9 32 32 A G S >< S+ 0 0 6 -4,-1.5 3,-1.9 -5,-0.3 10,-0.2 0.372 98.4 13.8 -88.9-134.4 7.4 -45.4 20.9 33 33 A K T 3 S+ 0 0 152 1,-0.3 -13,-0.6 -5,-0.1 -1,-0.2 -0.134 130.6 8.1 -50.5 121.8 6.3 -48.5 22.8 34 34 A G T 3 S+ 0 0 36 1,-0.2 -1,-0.3 -15,-0.1 -2,-0.1 0.537 81.8 172.2 84.6 9.5 3.6 -50.5 21.0 35 35 A d < - 0 0 22 -3,-1.9 -1,-0.2 1,-0.1 -16,-0.2 -0.273 14.6-169.6 -54.9 125.8 3.7 -48.5 17.8 36 36 A Q - 0 0 57 -18,-3.5 2,-0.3 1,-0.3 -1,-0.1 0.866 59.4 -19.9 -87.1 -41.5 1.5 -50.3 15.2 37 37 A N S S+ 0 0 8 -19,-0.4 -19,-2.4 -21,-0.1 -1,-0.3 -0.949 95.1 53.5-159.4 170.5 2.4 -48.5 11.9 38 38 A G S S- 0 0 0 -2,-0.3 2,-2.0 -21,-0.2 -22,-0.2 -0.607 108.8 -14.0 96.8-158.8 3.9 -45.2 10.6 39 39 A A S S- 0 0 4 -24,-3.3 -22,-0.2 -2,-0.2 -1,-0.1 -0.196 79.0-176.2 -77.7 51.5 7.2 -43.6 11.5 40 40 A d - 0 0 7 -2,-2.0 -8,-0.2 1,-0.2 -9,-0.1 -0.242 28.9-143.6 -52.9 129.3 7.6 -46.0 14.5 41 41 A W S S+ 0 0 68 -10,-2.7 2,-0.9 1,-0.2 -1,-0.2 0.849 99.3 64.0 -58.3 -32.8 10.8 -45.1 16.4 42 42 A T S S- 0 0 81 -11,-0.8 2,-0.3 -10,-0.2 -1,-0.2 -0.804 99.4-130.8 -96.6 89.4 11.0 -48.8 16.8 43 43 A S - 0 0 33 -2,-0.9 -2,-0.1 1,-0.1 25,-0.1 -0.305 14.6-123.4 -60.5 122.0 11.4 -50.2 13.2 44 44 A K - 0 0 29 -2,-0.3 23,-1.8 22,-0.1 -1,-0.1 -0.142 20.3-127.5 -64.4 132.9 9.2 -53.0 11.9 45 45 A R B +D 66 0D 110 21,-0.2 2,-0.3 4,-0.1 21,-0.2 -0.292 35.0 167.8 -75.6 163.8 10.7 -56.2 10.6 46 46 A e >> + 0 0 0 19,-1.3 4,-0.5 16,-0.1 3,-0.5 -0.923 28.8 6.8-162.5-177.8 9.8 -57.6 7.2 47 47 A G G >4>S+ 0 0 14 6,-2.3 5,-3.4 -2,-0.3 3,-2.1 0.170 113.4 4.4 39.3-137.0 10.4 -60.0 4.3 48 48 A S G >45S+ 0 0 89 1,-0.3 3,-0.6 3,-0.2 -1,-0.2 0.865 136.3 45.2 -43.2 -51.9 12.9 -62.9 4.4 49 49 A Q G <45S+ 0 0 90 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.475 117.3 45.8 -76.0 -5.8 13.8 -62.2 8.1 50 50 A A G X<5S- 0 0 25 -3,-2.1 3,-2.2 -4,-0.5 -1,-0.2 -0.265 123.1 -85.4-135.7 50.8 10.2 -61.9 9.2 51 51 A G T < 5S- 0 0 85 -3,-0.6 -3,-0.2 1,-0.3 -4,-0.1 0.702 83.6 -63.8 58.2 24.6 8.2 -64.7 7.6 52 52 A G T 3 - 0 0 8 4,-0.3 3,-0.6 -2,-0.1 2,-0.1 -0.530 35.7-128.8 -79.4 141.0 6.1 -53.2 5.5 56 56 A P G > S+ 0 0 30 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.455 87.7 33.9 -83.1 173.0 3.0 -51.1 6.3 57 57 A N G 3 S- 0 0 1 1,-0.2 -20,-0.0 -2,-0.1 -2,-0.0 0.694 127.6 -76.4 57.5 25.5 2.5 -47.6 4.9 58 58 A N G < S+ 0 0 7 -3,-0.6 -1,-0.2 1,-0.1 2,-0.1 0.841 84.7 160.8 56.5 36.9 4.3 -48.6 1.7 59 59 A H < - 0 0 1 -3,-1.4 2,-0.3 22,-0.1 -4,-0.3 -0.367 42.2-106.5 -80.0 167.2 7.8 -48.5 3.3 60 60 A g E -E 68 0E 0 8,-3.1 8,-2.3 21,-0.2 2,-0.7 -0.762 22.3-133.8 -96.3 147.2 10.7 -50.3 1.8 61 61 A e E -EF 67 80E 2 19,-1.3 18,-3.3 -2,-0.3 19,-0.7 -0.858 25.1-136.7-102.7 112.5 12.0 -53.4 3.4 62 62 A S > - 0 0 6 4,-2.8 3,-2.6 -2,-0.7 11,-0.1 -0.106 27.7-101.6 -64.8 168.0 15.8 -53.3 3.6 63 63 A Q T 3 S+ 0 0 91 13,-0.5 -1,-0.1 9,-0.4 14,-0.1 0.758 125.6 58.5 -57.3 -23.5 18.1 -56.1 2.8 64 64 A Y T 3 S- 0 0 158 2,-0.1 -1,-0.3 -16,-0.1 3,-0.1 0.359 120.2-107.4 -89.7 2.8 18.2 -56.5 6.5 65 65 A G S < S+ 0 0 0 -3,-2.6 -19,-1.3 1,-0.3 2,-0.4 0.850 77.2 127.0 74.7 33.7 14.5 -57.0 7.0 66 66 A H B -D 45 0D 56 -21,-0.2 -4,-2.8 -4,-0.1 2,-0.4 -0.944 56.4-120.1-122.4 148.1 13.8 -53.6 8.6 67 67 A f E +E 61 0E 0 -23,-1.8 2,-0.3 -2,-0.4 -6,-0.2 -0.716 55.4 82.7 -96.3 137.1 11.2 -51.1 7.4 68 68 A G E -E 60 0E 0 -8,-2.3 -8,-3.1 -2,-0.4 2,-0.2 -0.949 58.3 -85.7 176.2-156.3 11.9 -47.6 6.3 69 69 A F B +G 284 0F 11 215,-2.0 215,-0.7 -2,-0.3 4,-0.2 -0.808 63.2 68.2-138.4 174.7 13.0 -45.1 3.6 70 70 A G S >>>S- 0 0 7 -2,-0.2 4,-2.6 213,-0.2 3,-1.0 -0.151 96.7 -57.7 96.2 169.3 16.3 -43.6 2.2 71 71 A A H 3>5S+ 0 0 35 1,-0.3 4,-2.3 3,-0.2 -1,-0.2 0.906 132.5 58.7 -51.0 -45.4 19.1 -45.2 0.2 72 72 A E H 345S+ 0 0 92 2,-0.2 -9,-0.4 1,-0.2 -1,-0.3 0.785 117.3 27.6 -53.9 -38.8 19.6 -47.8 2.9 73 73 A Y H <45S+ 0 0 9 -3,-1.0 -2,-0.2 -4,-0.2 6,-0.2 0.900 131.1 33.6 -96.1 -44.3 16.1 -49.2 2.8 74 74 A g H <5S+ 0 0 5 -4,-2.6 10,-2.3 -14,-0.1 11,-0.4 0.502 109.7 74.2 -89.2 -9.2 15.0 -48.6 -0.8 75 75 A G S >< >S-I 96 0H 2 6,-2.2 3,-3.2 -2,-0.3 5,-2.1 -0.095 108.9 -30.1 70.1-169.2 3.7 -61.6 -14.8 91 91 A S G > 5S+ 0 0 87 1,-0.3 3,-1.7 4,-0.3 -1,-0.2 0.905 136.1 64.8 -45.7 -42.6 4.3 -64.3 -17.4 92 92 A Q G 3 5S+ 0 0 106 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.462 110.4 36.7 -61.9 -4.5 7.7 -62.6 -17.8 93 93 A A G X 5S- 0 0 33 -3,-3.2 3,-0.9 3,-0.1 -1,-0.3 -0.124 134.2 -73.1-143.6 42.0 8.6 -63.6 -14.2 94 94 A G T < 5S- 0 0 76 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.2 0.670 88.8 -64.1 76.3 18.7 7.0 -67.0 -13.6 95 95 A G T 3 - 0 0 7 4,-0.5 3,-0.7 -2,-0.3 6,-0.1 -0.600 39.9-106.0 -85.8 149.8 3.0 -57.6 -7.5 99 99 A P G > S+ 0 0 45 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.247 93.1 11.2 -70.8 159.4 3.3 -56.9 -3.8 100 100 A N G 3 S- 0 0 23 1,-0.3 -2,-0.0 24,-0.1 -42,-0.0 0.739 134.0 -56.8 44.7 35.6 0.7 -55.0 -1.7 101 101 A N G < S+ 0 0 22 -3,-0.7 24,-1.9 1,-0.2 -1,-0.3 0.720 88.8 162.2 71.6 22.8 -1.8 -54.9 -4.7 102 102 A L < - 0 0 15 -3,-2.4 -4,-0.5 22,-0.2 2,-0.3 -0.432 39.2-115.0 -71.2 150.5 0.5 -53.3 -7.2 103 103 A k E -J 111 0I 0 8,-2.1 8,-2.5 21,-0.2 2,-0.5 -0.641 17.9-136.6 -85.6 152.0 -0.4 -53.6 -10.8 104 104 A i E -J 110 0I 0 19,-1.9 18,-2.8 -2,-0.3 19,-0.5 -0.936 19.9-138.2-110.7 116.7 1.8 -55.6 -13.2 105 105 A S > - 0 0 5 4,-2.3 3,-1.8 -2,-0.5 11,-0.1 -0.246 27.2-106.0 -67.5 169.4 2.2 -53.8 -16.6 106 106 A Q T 3 S+ 0 0 85 13,-0.4 -1,-0.1 1,-0.3 14,-0.1 0.726 121.9 62.1 -68.0 -20.4 2.1 -55.8 -19.8 107 107 A W T 3 S- 0 0 176 2,-0.1 -1,-0.3 -17,-0.0 -18,-0.1 0.486 122.5-103.7 -83.1 -5.0 5.9 -55.3 -19.9 108 108 A G S < S+ 0 0 1 -3,-1.8 -19,-1.5 1,-0.2 2,-0.4 0.813 77.6 117.8 88.5 32.0 6.3 -57.3 -16.6 109 109 A Y B -H 88 0G 95 -21,-0.3 -4,-2.3 -4,-0.1 -21,-0.2 -0.995 59.0-111.8-136.7 148.7 7.0 -54.6 -13.9 110 110 A j E +J 104 0I 11 -23,-3.1 -23,-0.3 -2,-0.4 2,-0.3 -0.453 53.8 104.1 -79.5 135.6 5.3 -53.4 -10.8 111 111 A G E -J 103 0I 0 -8,-2.5 -8,-2.1 -2,-0.2 2,-0.3 -0.991 51.0-106.2 177.9-175.4 3.6 -50.1 -10.3 112 112 A L B +K 241 0J 5 129,-1.7 129,-1.7 -2,-0.3 2,-0.2 -0.993 65.2 58.6-139.7 146.0 0.5 -47.8 -10.1 113 113 A G S >>>S- 0 0 5 -2,-0.3 4,-2.8 127,-0.2 3,-1.7 -0.540 100.8 -53.6 121.7 175.1 -1.0 -45.3 -12.5 114 114 A S H 3>5S+ 0 0 78 1,-0.3 4,-1.0 -2,-0.2 5,-0.2 0.759 129.9 59.4 -54.7 -30.8 -2.3 -45.6 -16.0 115 115 A E H 345S+ 0 0 92 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.676 119.2 26.2 -74.5 -20.5 0.9 -47.2 -17.4 116 116 A F H <45S+ 0 0 12 -3,-1.7 -2,-0.2 -11,-0.1 6,-0.2 0.770 131.0 34.1-109.7 -41.2 0.8 -50.1 -15.0 117 117 A k H <5S+ 0 0 8 -4,-2.8 10,-1.2 -14,-0.1 11,-0.9 0.682 105.9 82.1 -89.5 -18.6 -2.9 -50.6 -14.1 118 118 A G S >< >S+L 139 0K 6 6,-3.1 5,-2.4 -2,-0.3 3,-1.2 -0.417 104.1 8.3 91.0-153.6 -17.6 -65.8 -14.1 134 134 A K T 3 5S+ 0 0 134 1,-0.3 3,-0.4 4,-0.2 -1,-0.2 0.814 137.6 34.6 -40.8 -43.0 -20.6 -67.4 -15.6 135 135 A D T 3 5S+ 0 0 124 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.583 106.0 68.8 -93.1 -14.0 -20.5 -65.0 -18.5 136 136 A A T < 5S- 0 0 33 -3,-1.2 3,-0.4 3,-0.2 -3,-0.2 0.203 123.1 -94.0 -90.9 20.9 -16.7 -64.6 -18.8 137 137 A G T 5S- 0 0 82 -3,-0.4 -3,-0.2 -4,-0.3 -2,-0.1 0.843 85.5 -52.5 69.9 31.7 -16.4 -68.2 -20.0 138 138 A G S S+ 0 0 45 1,-0.2 3,-2.3 -18,-0.1 -1,-0.1 -0.499 96.0 29.8 -95.3 170.1 -6.4 -62.3 -10.3 143 143 A N T 3 S- 0 0 36 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.636 124.4 -79.6 52.7 25.6 -5.0 -61.9 -6.7 144 144 A N T 3 S+ 0 0 117 -3,-0.4 24,-1.3 1,-0.2 -1,-0.3 0.664 82.3 166.3 57.0 21.0 -7.8 -64.1 -5.3 145 145 A Y < - 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