==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(OXO-ACID) 28-NOV-93 1BZM . COMPND 2 MOLECULE: CARBONIC ANHYDRASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.CHAKRAVARTY,K.K.KANNAN . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 21.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 3 1.2 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 . 14 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 6.5 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 2 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 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 1 4 1 1 1 1 0 2 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 1 0 0 0 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 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 A 0 0 118 0, 0.0 3,-0.1 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 8.6 36.7 26.4 -32.9 2 2 A S - 0 0 123 1,-0.1 2,-0.1 2,-0.1 0, 0.0 -0.684 360.0 -82.7-127.6 86.2 38.7 23.4 -34.1 3 3 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.312 72.3 136.6 -30.9 -96.6 40.2 23.1 -31.0 4 4 A D + 0 0 109 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.936 29.1 127.9 30.4 91.7 43.2 24.8 -29.4 5 5 A W + 0 0 45 196,-0.1 2,-0.2 14,-0.0 -1,-0.2 -0.914 27.2 166.0-140.1 153.2 42.7 25.8 -25.8 6 6 A G - 0 0 20 5,-2.5 10,-0.1 -2,-0.3 238,-0.0 -0.692 48.5 -96.4-150.7-157.1 45.2 24.8 -23.1 7 7 A Y S S+ 0 0 19 -2,-0.2 5,-0.1 5,-0.2 2,-0.1 0.227 86.4 99.9-118.9 8.2 46.2 25.6 -19.5 8 8 A D S > S- 0 0 101 4,-0.1 4,-1.6 5,-0.0 3,-0.4 -0.359 91.0 -93.4 -92.3 172.4 49.1 28.0 -20.4 9 9 A D T 4 S+ 0 0 167 1,-0.2 5,-0.1 2,-0.2 3,-0.0 0.857 120.5 47.6 -50.2 -45.1 49.1 31.8 -20.3 10 10 A K T 4 S+ 0 0 166 1,-0.2 -1,-0.2 4,-0.0 -3,-0.0 0.733 131.7 12.8 -66.8 -42.9 48.2 32.0 -24.0 11 11 A N T 4 S+ 0 0 48 -3,-0.4 -5,-2.5 -6,-0.0 -1,-0.2 0.132 102.6 125.2-127.0 16.5 45.3 29.6 -24.4 12 12 A G S >X S- 0 0 3 -4,-1.6 3,-1.6 -7,-0.2 4,-1.0 0.127 78.7 -74.6 -69.4 177.4 44.6 29.1 -20.6 13 13 A P T 34 S+ 0 0 29 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.783 126.5 56.4 -52.9 -37.7 41.4 29.5 -18.5 14 14 A E T 34 S+ 0 0 164 1,-0.2 4,-0.1 2,-0.1 -5,-0.1 0.612 113.9 42.1 -73.5 -6.4 41.5 33.4 -18.4 15 15 A Q T X> S+ 0 0 49 -3,-1.6 3,-2.2 2,-0.1 4,-0.5 0.583 85.6 92.4-111.1 -20.5 41.4 33.4 -22.2 16 16 A W H >X S+ 0 0 3 -4,-1.0 4,-3.7 1,-0.3 3,-1.1 0.775 77.3 65.9 -49.8 -34.7 38.9 30.6 -22.9 17 17 A S H 34 S+ 0 0 40 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.842 87.5 66.4 -63.6 -31.0 36.0 33.1 -23.0 18 18 A K H <4 S+ 0 0 174 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.804 120.4 23.8 -59.0 -27.8 37.5 34.7 -26.2 19 19 A L H << S+ 0 0 89 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.724 132.1 36.4-101.5 -38.7 36.6 31.3 -27.9 20 20 A Y >< - 0 0 40 -4,-3.7 3,-2.1 1,-0.1 -1,-0.2 -0.885 62.8-169.3-125.2 97.0 33.8 29.9 -25.7 21 21 A P G > S+ 0 0 100 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.652 81.5 73.5 -57.8 -22.4 31.5 32.6 -24.4 22 22 A I G > S+ 0 0 87 1,-0.3 3,-3.1 180,-0.2 5,-0.2 0.614 71.7 86.0 -68.6 -14.8 29.8 30.2 -22.0 23 23 A A G < S+ 0 0 4 -3,-2.1 -1,-0.3 1,-0.3 -6,-0.1 0.714 91.7 49.1 -55.4 -21.8 33.0 30.4 -19.9 24 24 A N G < S+ 0 0 108 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.086 91.9 133.4-107.3 24.1 31.2 33.4 -18.4 25 25 A G < - 0 0 17 -3,-3.1 3,-0.4 1,-0.1 -3,-0.0 0.143 68.4-114.5 -66.4 179.9 28.0 31.5 -17.9 26 26 A N S S+ 0 0 102 1,-0.2 228,-0.2 170,-0.0 -1,-0.1 0.473 111.1 45.8 -93.4 -11.8 25.8 31.4 -14.8 27 27 A N S S+ 0 0 54 -5,-0.2 -1,-0.2 169,-0.1 2,-0.2 -0.229 79.3 150.8-129.4 43.1 26.4 27.7 -14.1 28 28 A Q - 0 0 2 -3,-0.4 221,-0.2 222,-0.4 171,-0.1 -0.483 35.5-107.2 -82.7 151.8 30.2 27.4 -14.5 29 29 A S S S+ 0 0 0 169,-0.5 2,-0.1 -2,-0.2 -2,-0.0 -0.904 77.4 43.0-127.3 152.4 32.3 24.9 -12.6 30 30 A P + 0 0 0 0, 0.0 219,-3.2 0, 0.0 2,-0.3 0.528 67.6 177.0 -79.5 179.6 34.3 24.5 -10.4 31 31 A V - 0 0 1 217,-0.3 77,-1.3 -2,-0.1 2,-0.5 -0.882 34.8-102.6-137.6 167.4 33.1 26.5 -7.4 32 32 A D E -a 108 0A 41 217,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.859 32.5-140.5 -92.9 126.9 34.1 27.2 -3.8 33 33 A I E -a 109 0A 0 75,-2.2 77,-2.6 -2,-0.5 2,-1.0 -0.840 10.0-159.5 -94.1 104.3 31.9 25.3 -1.3 34 34 A K > - 0 0 58 -2,-0.8 3,-2.1 75,-0.2 4,-0.4 -0.778 4.7-158.3 -86.6 99.9 31.2 27.6 1.7 35 35 A T G > S+ 0 0 55 -2,-1.0 3,-0.8 1,-0.3 -1,-0.2 0.759 88.4 58.7 -57.4 -27.4 30.2 25.1 4.3 36 36 A S G 3 S+ 0 0 112 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.498 108.4 47.0 -80.6 -5.8 28.3 27.6 6.3 37 37 A E G < S+ 0 0 120 -3,-2.1 219,-0.3 2,-0.1 -1,-0.2 0.423 84.4 109.0-113.8 2.0 26.0 28.4 3.3 38 38 A T < - 0 0 36 -3,-0.8 2,-0.5 -4,-0.4 219,-0.2 -0.345 61.9-133.0 -76.5 165.9 25.1 24.8 2.2 39 39 A K E -c 257 0B 106 217,-2.2 219,-2.3 -2,-0.1 2,-0.4 -0.972 10.0-126.3-129.3 125.4 21.6 23.6 2.7 40 40 A H E -c 258 0B 101 -2,-0.5 2,-0.6 217,-0.2 219,-0.2 -0.581 24.1-163.4 -67.7 123.5 20.6 20.3 4.2 41 41 A D > - 0 0 25 217,-2.2 3,-1.0 -2,-0.4 -1,-0.0 -0.971 9.4-168.1-114.6 110.6 18.2 18.6 1.7 42 42 A T T 3 S+ 0 0 127 -2,-0.6 -1,-0.1 1,-0.2 217,-0.0 0.558 83.9 67.6 -75.9 -9.0 16.3 15.7 3.4 43 43 A S T 3 S+ 0 0 88 2,-0.1 -1,-0.2 40,-0.0 216,-0.1 0.765 75.5 109.6 -81.1 -17.9 15.0 14.4 0.1 44 44 A L < - 0 0 21 -3,-1.0 38,-0.1 214,-0.2 3,-0.1 -0.332 58.8-151.7 -59.3 127.9 18.6 13.5 -0.9 45 45 A K - 0 0 135 37,-2.2 37,-0.2 1,-0.1 39,-0.1 -0.582 29.8 -89.4 -97.3 159.3 19.1 9.7 -1.0 46 46 A P - 0 0 109 0, 0.0 36,-1.0 0, 0.0 2,-0.3 -0.397 49.7-107.5 -61.4 144.0 22.4 7.9 -0.3 47 47 A I E -D 81 0B 17 142,-0.4 2,-0.5 34,-0.3 34,-0.2 -0.535 32.0-160.4 -77.2 144.1 24.5 7.5 -3.5 48 48 A S E -D 80 0B 59 32,-2.9 32,-3.1 -2,-0.3 2,-0.4 -0.968 5.8-171.0-127.2 113.0 24.7 3.9 -4.9 49 49 A V E +D 79 0B 34 -2,-0.5 2,-0.3 30,-0.2 30,-0.2 -0.941 6.6 177.8-109.6 132.1 27.4 2.9 -7.3 50 50 A S E +D 78 0B 80 28,-3.2 28,-2.6 -2,-0.4 2,-0.3 -0.817 12.6 173.2-136.3 92.1 27.3 -0.5 -9.0 51 51 A Y - 0 0 16 -2,-0.3 26,-0.2 26,-0.3 129,-0.0 -0.823 26.4-143.2-105.4 139.3 30.2 -0.9 -11.4 52 52 A N > - 0 0 59 -2,-0.3 3,-1.7 1,-0.1 4,-0.2 -0.915 9.2-150.4 -99.4 122.2 31.3 -4.0 -13.4 53 53 A P G > S+ 0 0 50 0, 0.0 3,-1.8 0, 0.0 126,-1.5 0.733 93.7 67.2 -64.0 -25.9 35.1 -4.3 -13.7 54 54 A A G 3 S+ 0 0 48 1,-0.3 17,-0.1 124,-0.2 126,-0.1 0.546 87.5 71.1 -72.4 -7.8 34.9 -6.1 -17.0 55 55 A T G < S+ 0 0 2 -3,-1.7 16,-2.2 124,-0.1 -1,-0.3 0.604 70.2 110.0 -83.2 -10.3 33.5 -2.8 -18.4 56 56 A A E < +E 70 0B 4 -3,-1.8 122,-0.4 14,-0.2 14,-0.2 -0.449 40.0 164.3 -65.2 136.2 37.1 -1.2 -18.1 57 57 A K E - 0 0 106 12,-2.6 119,-2.6 1,-0.3 2,-0.3 0.753 40.9 -16.5-121.4 -60.3 38.3 -0.7 -21.6 58 58 A E E -EF 69 175B 31 11,-1.7 11,-3.4 117,-0.3 2,-0.4 -0.990 36.5-135.1-154.6 165.9 41.3 1.6 -22.1 59 59 A I E -EF 68 174B 1 115,-2.7 115,-1.7 -2,-0.3 2,-0.4 -0.980 30.5-178.9-120.0 133.7 43.6 4.3 -21.0 60 60 A I E -EF 67 173B 8 7,-2.5 7,-2.4 -2,-0.4 2,-0.6 -0.985 29.2-131.0-139.0 144.7 44.6 7.2 -23.3 61 61 A N E +E 66 0B 1 111,-2.3 110,-2.6 -2,-0.4 5,-0.2 -0.780 22.1 178.6 -86.6 122.3 46.7 10.3 -23.4 62 62 A V - 0 0 43 3,-2.2 2,-1.2 -2,-0.6 4,-0.2 0.090 47.2-113.6-112.5 15.6 44.6 13.3 -24.6 63 63 A G S S+ 0 0 5 2,-0.4 107,-0.1 167,-0.2 3,-0.1 -0.275 110.8 50.8 87.0 -52.2 47.4 15.8 -24.3 64 64 A H S S- 0 0 47 -2,-1.2 2,-0.2 1,-0.1 -1,-0.2 0.590 130.9 -20.6 -89.3 -15.6 46.0 18.0 -21.5 65 65 A S - 0 0 2 166,-0.1 -3,-2.2 31,-0.1 -2,-0.4 -0.851 70.0 -99.9-167.4-169.1 45.3 14.9 -19.3 66 66 A F E -E 61 0B 0 -2,-0.2 29,-0.4 -5,-0.2 2,-0.4 -0.981 29.4-152.9-129.3 148.3 44.8 11.1 -19.5 67 67 A H E -E 60 0B 29 -7,-2.4 -7,-2.5 -2,-0.3 2,-0.6 -0.924 11.5-148.8-124.1 148.7 41.4 9.2 -19.4 68 68 A V E -EG 59 93B 0 25,-2.2 25,-1.4 -2,-0.4 2,-0.3 -0.960 30.3-158.1-112.7 104.4 40.4 5.8 -18.3 69 69 A N E -EG 58 92B 28 -11,-3.4 -12,-2.6 -2,-0.6 -11,-1.7 -0.652 9.2-161.3 -96.9 149.3 37.5 4.8 -20.6 70 70 A F E -E 56 0B 7 21,-2.0 -14,-0.2 -2,-0.3 2,-0.2 -0.937 31.6 -99.2-123.5 149.7 34.7 2.2 -20.0 71 71 A E - 0 0 86 -16,-2.2 6,-0.1 -2,-0.3 3,-0.1 -0.519 37.4-178.4 -63.9 123.6 32.3 0.3 -22.3 72 72 A D + 0 0 34 -2,-0.2 -1,-0.1 1,-0.1 59,-0.1 -0.291 49.3 105.5-126.2 46.6 29.0 2.2 -22.1 73 73 A N S S+ 0 0 128 57,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.535 86.2 32.2 -95.7 -15.8 26.7 0.2 -24.4 74 74 A D S S- 0 0 71 -3,-0.1 3,-0.4 3,-0.1 51,-0.0 -0.861 83.9-108.6-130.8 176.5 24.9 -1.3 -21.4 75 75 A N S S+ 0 0 93 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.197 75.3 120.9-100.5 34.0 23.8 -0.6 -17.9 76 76 A R S S+ 0 0 80 1,-0.2 2,-0.5 -5,-0.1 -1,-0.2 0.805 79.2 36.3 -65.1 -30.3 26.4 -2.9 -16.4 77 77 A S S S+ 0 0 5 -3,-0.4 13,-2.4 -26,-0.2 2,-0.3 -0.957 82.8 162.6-131.5 113.6 28.0 -0.0 -14.4 78 78 A V E -DH 50 89B 16 -28,-2.6 -28,-3.2 -2,-0.5 2,-0.5 -0.879 35.3-139.1-135.1 159.0 25.7 2.6 -13.0 79 79 A L E +DH 49 88B 1 9,-2.5 9,-2.7 -2,-0.3 2,-0.2 -0.986 33.2 167.0-115.8 129.6 25.3 5.4 -10.6 80 80 A K E +D 48 0B 106 -32,-3.1 -32,-2.9 -2,-0.5 2,-0.2 -0.811 34.5 29.0-136.0 171.4 22.1 5.7 -8.6 81 81 A G E > S+D 47 0B 16 -2,-0.2 3,-1.9 -34,-0.2 -34,-0.3 -0.468 70.3 92.0 79.6-146.1 20.5 7.5 -5.6 82 82 A G T 3 S- 0 0 4 -36,-1.0 -37,-2.2 1,-0.3 -1,-0.1 -0.289 114.3 -25.4 55.7-132.9 21.7 10.9 -4.4 83 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.507 115.0 103.7 -85.4 -10.5 19.6 13.6 -6.1 84 84 A F < - 0 0 26 -3,-1.9 -3,-0.2 1,-0.1 -39,-0.1 -0.536 47.4-170.8 -84.9 149.5 18.6 11.5 -9.2 85 85 A S S S+ 0 0 124 -2,-0.2 2,-0.3 -5,-0.1 -1,-0.1 0.605 79.0 55.3-102.2 -26.8 15.5 9.6 -10.2 86 86 A D S S- 0 0 64 -5,-0.1 2,-0.3 -6,-0.0 -2,-0.1 -0.744 89.0-105.6-109.8 162.6 17.2 7.9 -13.2 87 87 A S - 0 0 37 -2,-0.3 39,-0.6 -7,-0.1 38,-0.4 -0.612 28.0-146.3 -78.8 143.9 20.3 5.7 -13.4 88 88 A Y E -H 79 0B 9 -9,-2.7 -9,-2.5 -2,-0.3 2,-0.5 -0.917 13.0-131.4-115.1 132.2 23.5 7.2 -14.9 89 89 A R E -HI 78 123B 35 34,-2.6 34,-1.8 -2,-0.4 -11,-0.2 -0.745 20.5-120.4 -87.5 130.6 25.9 5.0 -16.9 90 90 A L E + I 0 122B 2 -13,-2.4 32,-0.2 -2,-0.5 -13,-0.2 -0.424 41.1 157.4 -65.5 140.4 29.7 5.1 -16.2 91 91 A F E - 0 0 26 30,-1.9 -21,-2.0 1,-0.4 2,-0.3 0.491 56.8 -13.5-133.9 -28.4 32.0 6.2 -19.1 92 92 A Q E -GI 69 121B 21 29,-1.4 29,-2.6 -23,-0.2 -1,-0.4 -0.973 39.1-149.8-171.8 161.6 35.3 7.4 -17.6 93 93 A F E +GI 68 120B 0 -25,-1.4 -25,-2.2 -2,-0.3 2,-0.3 -0.958 25.9 159.2-136.1 147.9 37.4 8.6 -14.7 94 94 A H E - I 0 119B 15 25,-2.1 25,-2.7 -2,-0.3 2,-0.3 -0.924 26.0-125.3-155.6 176.8 40.3 11.1 -14.9 95 95 A F E - I 0 118B 0 -29,-0.4 2,-0.3 -2,-0.3 23,-0.2 -0.786 4.0-149.7-128.5 166.4 42.3 13.4 -12.6 96 96 A H E + I 0 117B 2 21,-1.9 21,-2.2 -2,-0.3 2,-0.3 -0.976 24.2 166.7-131.9 142.0 43.2 17.1 -12.3 97 97 A W E - I 0 116B 0 -2,-0.3 147,-1.9 19,-0.2 2,-0.2 -0.870 22.8-128.3-149.4 174.5 46.5 18.3 -10.5 98 98 A G - 0 0 0 17,-0.6 6,-0.2 2,-0.5 129,-0.1 -0.581 34.4 -96.7-122.3-176.3 48.6 21.5 -10.2 99 99 A S S S+ 0 0 64 4,-0.2 2,-0.3 -2,-0.2 5,-0.1 0.689 111.8 48.6 -77.6 -19.9 52.2 22.5 -10.7 100 100 A T S S- 0 0 72 3,-0.6 -2,-0.5 15,-0.1 3,-0.2 -0.866 85.5-126.9-114.8 153.3 52.8 22.1 -7.0 101 101 A N S S+ 0 0 46 -2,-0.3 49,-0.3 1,-0.2 3,-0.2 0.569 105.1 58.0 -74.0 -15.6 51.8 19.1 -4.9 102 102 A E S S+ 0 0 131 1,-0.2 2,-0.4 47,-0.1 -1,-0.2 0.813 110.9 33.8 -84.8 -37.4 49.9 21.3 -2.4 103 103 A H S S+ 0 0 77 -3,-0.2 -3,-0.6 12,-0.1 12,-0.3 -0.892 70.9 107.9-130.4 102.9 47.4 23.1 -4.7 104 104 A G + 0 0 0 10,-2.6 13,-0.3 -2,-0.4 11,-0.3 0.360 42.1 113.7-151.3 0.5 45.9 21.4 -7.7 105 105 A S - 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