==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 14-JAN-94 2TBS . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMO SALAR; . AUTHOR A.O.SMALAS . 222 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 32.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 2 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 16 A I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 117.8 29.1 43.4 27.4 2 17 A V B +A 170 0A 18 168,-3.1 168,-2.2 1,-0.2 123,-0.1 -0.893 360.0 4.1-103.4 130.8 31.0 45.7 29.8 3 18 A G S S+ 0 0 44 121,-0.5 -1,-0.2 -2,-0.5 168,-0.1 0.589 103.3 124.3 74.6 17.6 29.4 46.8 33.2 4 19 A G - 0 0 26 -3,-0.4 2,-0.3 166,-0.1 133,-0.2 0.092 55.0-119.0 -87.5-159.7 26.5 44.6 32.6 5 20 A Y E -B 136 0B 103 131,-2.4 131,-4.6 -3,-0.1 2,-0.4 -0.965 34.9 -88.8-146.0 155.4 24.8 41.8 34.6 6 21 A E E -B 135 0B 85 -2,-0.3 129,-0.3 129,-0.2 128,-0.1 -0.602 47.7-123.6 -70.9 121.7 24.1 38.1 33.9 7 22 A a - 0 0 3 127,-2.3 2,-0.1 -2,-0.4 3,-0.1 -0.337 29.6 -98.8 -60.8 150.2 20.8 37.8 32.1 8 23 A K > - 0 0 158 1,-0.1 3,-2.6 2,-0.1 4,-0.4 -0.455 62.9 -90.1 -61.5 132.5 18.1 35.5 33.7 9 24 A A T 3 S+ 0 0 50 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.290 108.8 4.4 -50.3 133.8 18.6 32.4 31.6 10 25 A Y T > S+ 0 0 64 42,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.420 90.7 122.8 67.5 7.0 16.4 32.4 28.5 11 26 A S T < S+ 0 0 59 -3,-2.6 2,-0.4 1,-0.3 -2,-0.1 0.725 78.8 46.2 -69.9 -19.9 15.1 35.9 29.3 12 27 A Q T > S+ 0 0 31 -4,-0.4 3,-2.5 1,-0.1 -1,-0.3 -0.557 73.5 167.5-117.9 67.8 16.4 36.9 25.8 13 28 A A T < S+ 0 0 21 -3,-0.6 88,-0.9 -2,-0.4 38,-0.3 0.601 71.3 59.7 -61.3 -17.1 15.0 33.9 23.8 14 29 A H T 3 S+ 0 0 16 86,-0.2 15,-2.9 88,-0.1 -1,-0.3 0.581 80.1 111.5 -83.3 -17.3 15.7 35.6 20.5 15 30 A Q E < -J 28 0C 6 -3,-2.5 37,-0.4 13,-0.2 36,-0.4 -0.464 46.4-177.5 -62.6 129.4 19.5 35.8 21.2 16 31 A V E -J 27 0C 1 11,-2.2 11,-0.9 -2,-0.2 2,-0.4 -0.869 22.9-133.6-126.4 160.2 21.7 33.6 19.1 17 32 A S E -JK 26 49C 1 32,-2.0 32,-2.8 -2,-0.3 2,-0.5 -0.956 15.7-142.1-109.9 128.1 25.5 32.8 18.9 18 33 A L E -JK 25 48C 1 7,-3.3 6,-2.5 -2,-0.4 7,-0.9 -0.836 28.1-167.8 -92.5 127.3 27.2 32.8 15.4 19 34 A N E +JK 23 47C 19 28,-2.5 28,-2.8 -2,-0.5 4,-0.2 -0.987 35.0 164.1-130.0 132.4 29.7 30.0 15.5 20 37 A S S S- 0 0 47 2,-2.3 3,-0.1 -2,-0.4 -1,-0.1 -0.238 96.8 -48.1-134.0 42.2 32.5 29.1 13.2 21 38 A G S S+ 0 0 67 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.149 139.0 30.1 107.9 -4.3 34.4 26.8 15.6 22 39 A Y S S- 0 0 123 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.928 102.5 -82.5-169.9 157.7 34.0 29.4 18.3 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.603 50.8 158.4 -68.5 128.1 31.6 32.2 19.2 24 41 A F E - 0 0 34 -6,-2.5 150,-0.3 1,-0.5 2,-0.3 0.499 58.3 -2.3-129.9 -12.3 32.3 35.3 17.1 25 42 A b E -J 18 0C 8 -7,-0.9 -7,-3.3 150,-0.1 -1,-0.5 -0.946 62.0-120.1-168.0 164.6 29.1 37.5 16.9 26 43 A G E +J 17 0C 1 150,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.258 25.7 176.0-102.5-174.2 25.5 37.6 18.1 27 44 A G E -J 16 0C 0 -11,-0.9 -11,-2.2 10,-0.1 2,-0.4 -0.955 25.1-111.4-179.2 173.0 22.3 37.8 16.1 28 45 A S E -JL 15 36C 2 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -1.000 18.8-127.8-129.0 130.9 18.5 37.8 16.7 29 46 A L E + L 0 35C 0 -15,-2.9 74,-1.9 -2,-0.4 6,-0.2 -0.698 27.9 175.2 -73.6 127.1 15.9 35.2 15.7 30 47 A V E - 0 0 18 4,-2.5 2,-0.3 -2,-0.5 75,-0.2 0.553 66.9 -19.8-107.5 -19.0 13.2 37.0 13.8 31 48 A N E > S- L 0 34C 49 3,-1.0 3,-0.5 73,-0.1 -1,-0.3 -0.894 90.3 -71.1-168.0-176.3 11.0 34.0 12.8 32 49 A E T 3 S+ 0 0 84 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.750 128.9 33.6 -63.0 -28.5 11.6 30.2 12.5 33 50 A N T 3 S+ 0 0 58 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.461 108.4 62.0-106.2 -7.2 13.8 30.6 9.5 34 51 A W E < -LM 31 89C 10 -3,-0.5 -4,-2.5 55,-0.2 -3,-1.0 -0.977 48.6-164.4-134.5 146.7 15.7 33.9 9.7 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.9 -2,-0.4 2,-0.4 -0.968 14.5-144.2-125.5 139.4 18.3 35.6 11.9 36 53 A V E +LM 28 87C 1 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.874 35.3 145.5-102.8 135.5 19.2 39.2 11.9 37 54 A S E - M 0 86C 0 49,-3.1 49,-3.7 -2,-0.4 2,-0.4 -0.790 50.0 -69.7-147.9-167.0 22.8 40.2 12.5 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.3 -0.758 30.5-136.9 -95.0 133.9 25.5 42.7 11.5 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.743 103.8 65.8 -59.0 -28.6 26.9 42.7 8.0 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 136,-0.0 0.524 94.6 61.4 -74.0 -5.0 30.5 43.2 9.4 41 58 A b G < S+ 0 0 6 -3,-2.0 -1,-0.3 -15,-0.1 -2,-0.2 0.372 80.3 143.7 -95.0 2.4 30.0 39.7 10.9 42 59 A Y < + 0 0 84 -3,-1.6 2,-0.3 -4,-0.1 -3,-0.1 -0.079 16.7 160.0 -49.4 137.7 29.6 38.1 7.5 43 60 A K - 0 0 66 3,-0.0 3,-0.1 1,-0.0 -2,-0.0 -0.936 47.8-119.9-152.7 138.7 31.0 34.6 6.7 44 61 A S S S+ 0 0 97 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.817 100.3 20.6 -58.5 -27.2 29.7 32.6 3.7 45 62 A R S S+ 0 0 184 24,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.999 72.2 168.0-144.1 138.3 28.6 29.9 6.1 46 63 A V - 0 0 9 -2,-0.4 21,-2.2 -3,-0.1 2,-0.6 -0.979 32.4-123.5-145.0 153.4 28.0 29.9 9.8 47 64 A E E -KN 19 66C 57 -28,-2.8 -28,-2.5 -2,-0.3 2,-0.5 -0.944 24.9-148.3 -97.2 125.0 26.4 27.7 12.5 48 65 A V E -KN 18 65C 0 17,-3.9 17,-3.0 -2,-0.6 2,-0.6 -0.799 8.0-158.9 -91.1 128.5 23.6 29.4 14.4 49 66 A R E -KN 17 64C 52 -32,-2.8 -32,-2.0 -2,-0.5 3,-0.3 -0.913 13.8-178.1-112.6 114.3 23.3 28.3 18.1 50 67 A L E + N 0 63C 2 13,-3.0 13,-1.7 -2,-0.6 -34,-0.1 -0.608 58.5 34.6-103.2 163.2 19.9 29.0 19.7 51 69 A G S S+ 0 0 4 -36,-0.4 2,-0.3 48,-0.4 10,-0.2 0.670 81.0 151.3 65.0 26.0 18.7 28.3 23.2 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.646 22.4 155.3 -90.9 145.4 22.0 29.1 24.8 53 71 A H S S+ 0 0 14 1,-0.4 81,-1.9 -2,-0.3 2,-0.6 0.548 84.6 25.1-120.7 -67.6 22.7 30.5 28.2 54 72 A N B > S-P 133 0D 21 79,-0.2 3,-1.2 3,-0.2 -1,-0.4 -0.908 74.4-157.6 -96.2 111.7 26.3 29.3 29.0 55 73 A I T 3 S+ 0 0 26 77,-2.7 -1,-0.1 -2,-0.6 78,-0.1 0.583 89.0 50.3 -72.0 -7.8 27.9 28.9 25.6 56 74 A K T 3 S+ 0 0 156 76,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.234 102.9 67.1-109.1 4.9 30.6 26.5 27.0 57 75 A V S < S- 0 0 77 -3,-1.2 2,-0.5 75,-0.2 -4,-0.2 -0.994 80.8-123.3-128.1 139.3 28.2 24.1 28.8 58 76 A T + 0 0 131 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.703 34.0 169.8 -85.0 121.8 25.6 21.7 27.4 59 77 A E - 0 0 65 -2,-0.5 -1,-0.2 -5,-0.1 -7,-0.0 0.667 48.7-114.4-107.9 -18.1 22.3 22.7 29.0 60 78 A G S S+ 0 0 67 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.085 99.4 87.7 102.0 -14.3 19.8 20.6 27.0 61 79 A S + 0 0 5 -10,-0.2 38,-0.1 38,-0.0 -9,-0.1 0.473 61.9 113.4 -92.2 -9.7 18.2 23.8 25.5 62 80 A E - 0 0 37 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.286 40.8-172.2 -75.1 155.1 20.5 24.3 22.5 63 81 A Q E -N 50 0C 33 -13,-1.7 -13,-3.0 2,-0.1 2,-0.6 -0.977 9.8-161.4-136.9 123.4 19.7 24.0 18.8 64 82 A F E +N 49 0C 88 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.978 17.3 173.9-112.7 114.1 22.7 24.2 16.4 65 83 A I E -N 48 0C 3 -17,-3.0 -17,-3.9 -2,-0.6 2,-0.2 -0.990 24.3-134.5-129.2 132.6 21.6 25.0 12.8 66 84 A S E -N 47 0C 38 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.466 29.0-108.1 -80.7 153.7 23.7 25.7 9.9 67 85 A S E -O 90 0C 12 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.533 22.1-170.9 -77.7 146.4 23.0 28.7 7.5 68 86 A S E S+ 0 0 67 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.636 79.6 13.2-102.8 -30.5 21.6 28.0 4.0 69 87 A R E -O 89 0C 97 20,-1.3 20,-2.4 2,-0.0 2,-0.4 -0.992 57.5-161.8-147.4 144.1 22.1 31.7 3.0 70 88 A V E -O 88 0C 24 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.994 17.2-170.2-131.8 115.4 23.9 34.7 4.4 71 89 A I E -O 87 0C 33 16,-4.5 16,-3.5 -2,-0.4 2,-0.3 -0.934 7.5-159.7-119.4 110.6 22.7 38.0 3.0 72 90 A R E -O 86 0C 118 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.583 41.4 -92.5 -78.7 140.7 24.5 41.3 3.6 73 91 A H > - 0 0 21 12,-2.4 3,-1.8 10,-0.3 -1,-0.1 -0.287 37.5-122.9 -48.8 135.9 22.4 44.5 3.1 74 92 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.688 110.2 45.3 -59.5 -19.2 23.0 45.6 -0.6 75 93 A N T 3 S+ 0 0 110 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.074 78.4 141.6-111.4 19.9 24.3 49.0 0.5 76 94 A Y < - 0 0 51 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.500 33.5-164.0 -62.2 135.4 26.6 47.8 3.3 77 95 A S B >> -Q 82 0E 41 5,-2.5 5,-1.5 1,-0.1 4,-1.1 -0.982 13.4-168.0-124.6 112.1 29.8 49.8 3.2 78 96 A S T 45S+ 0 0 89 -2,-0.5 -1,-0.1 2,-0.2 5,-0.0 0.838 82.1 66.6 -74.6 -24.1 32.7 48.4 5.2 79 97 A Y T 45S+ 0 0 217 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.929 123.1 14.4 -51.1 -58.1 34.8 51.7 5.0 80 98 A N T 45S- 0 0 70 2,-0.1 -1,-0.3 -3,-0.0 -2,-0.2 0.324 102.8-119.7-105.7 9.8 32.4 53.5 7.2 81 99 A I T <5 + 0 0 46 -4,-1.1 3,-0.5 1,-0.2 2,-0.4 0.877 55.1 164.6 54.3 42.6 30.4 50.6 8.6 82 100 A D B < +Q 77 0E 24 -5,-1.5 -5,-2.5 1,-0.2 -1,-0.2 -0.795 57.2 14.7 -94.7 144.9 27.2 51.9 7.1 83 101 A N S S- 0 0 20 -2,-0.4 2,-2.0 -7,-0.2 -10,-0.3 0.921 78.3-175.2 60.0 50.4 24.1 49.8 6.7 84 102 A D + 0 0 2 -3,-0.5 2,-0.4 74,-0.2 122,-0.3 -0.488 35.1 114.8 -82.7 69.8 25.6 47.2 9.1 85 103 A I - 0 0 0 -2,-2.0 -12,-2.4 -47,-0.3 2,-0.3 -1.000 37.4-178.1-146.3 144.1 22.9 44.6 8.8 86 104 A M E -MO 37 72C 3 -49,-3.7 -49,-3.1 -2,-0.4 2,-0.4 -0.979 19.0-137.7-143.3 155.2 22.5 41.1 7.5 87 105 A L E -MO 36 71C 0 -16,-3.5 -16,-4.5 -2,-0.3 2,-0.5 -0.932 13.3-165.2-114.4 134.7 20.1 38.3 7.0 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.5 -2,-0.4 2,-0.5 -0.988 8.6-152.6-118.0 115.3 20.9 34.7 7.8 89 107 A K E -MO 34 69C 68 -20,-2.4 -21,-3.3 -2,-0.5 -20,-1.3 -0.766 19.7-131.2 -88.5 124.2 18.6 32.0 6.4 90 108 A L E - O 0 67C 3 -57,-2.6 -23,-0.2 -2,-0.5 -24,-0.1 -0.538 9.3-132.0 -72.8 141.0 18.6 28.8 8.6 91 109 A S S S+ 0 0 62 -25,-3.0 -1,-0.1 1,-0.2 -24,-0.1 0.831 95.9 15.3 -64.8 -31.9 19.1 25.5 6.7 92 110 A K S S- 0 0 123 -26,-0.3 -1,-0.2 -60,-0.1 -24,-0.0 -0.985 99.2 -90.7-138.6 147.6 16.1 24.1 8.7 93 111 A P - 0 0 66 0, 0.0 -60,-0.2 0, 0.0 2,-0.1 -0.224 42.0-117.1 -55.4 147.1 13.5 25.9 10.8 94 112 A A - 0 0 2 -62,-2.6 2,-0.6 -63,-0.1 -62,-0.0 -0.454 25.5-114.9 -78.7 159.2 14.2 26.5 14.5 95 113 A T - 0 0 85 -2,-0.1 2,-0.4 6,-0.0 5,-0.1 -0.908 25.6-141.4 -97.6 116.9 11.9 24.9 17.1 96 114 A L + 0 0 63 -2,-0.6 2,-0.2 3,-0.1 5,-0.2 -0.632 45.3 126.6 -83.5 132.5 10.0 27.5 19.1 97 115 A N S S- 0 0 50 3,-1.8 3,-0.4 -2,-0.4 0, 0.0 -0.762 76.4 -55.1-158.1-162.7 9.7 26.5 22.8 98 116 A T S S+ 0 0 107 -2,-0.2 3,-0.1 1,-0.2 -85,-0.1 0.581 134.0 41.6 -67.0 -16.6 10.4 27.9 26.2 99 117 A Y S S+ 0 0 83 1,-0.2 2,-0.4 -38,-0.1 -48,-0.4 0.621 114.4 47.5-101.8 -22.7 14.0 28.6 25.2 100 118 A V + 0 0 0 -3,-0.4 -3,-1.8 -50,-0.1 -1,-0.2 -0.982 59.2 150.1-134.4 117.8 13.7 29.9 21.8 101 119 A Q - 0 0 85 -88,-0.9 -72,-0.2 -2,-0.4 -50,-0.1 -0.978 41.4-113.2-147.6 138.2 11.3 32.7 20.6 102 120 A P - 0 0 46 0, 0.0 2,-0.4 0, 0.0 -72,-0.2 -0.166 25.5-130.7 -68.4 159.4 11.5 35.3 17.8 103 121 A V - 0 0 12 -74,-1.9 2,-0.1 -89,-0.2 82,-0.1 -0.921 29.8-107.8-112.0 141.3 11.7 39.0 18.7 104 122 A A B -c 185 0B 55 80,-0.7 82,-2.8 -2,-0.4 -73,-0.1 -0.407 24.5-118.1 -70.6 143.0 9.4 41.4 16.8 105 123 A L - 0 0 36 80,-0.2 2,-0.2 -75,-0.2 82,-0.1 -0.417 46.5 -92.6 -72.6 155.0 10.5 43.8 14.2 106 124 A P - 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