==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 09-JUN-10 3NEO . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.B.B.TRIVELLA,I.POLIKARPOV . 230 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11261.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 38.3 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 . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 1 0.4 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 . 32 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 2 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 2 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 . 2 4 0 0 3 0 4 0 2 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 2 0 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 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 10 A C 0 0 86 0, 0.0 50,-0.1 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 151.2 27.2 11.6 -38.8 2 11 A P + 0 0 3 0, 0.0 94,-3.0 0, 0.0 2,-0.4 0.648 360.0 37.5 -73.8 -22.1 29.4 12.4 -35.8 3 12 A L E +a 96 0A 1 47,-0.2 46,-0.6 92,-0.2 47,-0.4 -0.995 64.4 167.5-136.6 128.1 26.8 12.5 -33.0 4 13 A M E -a 97 0A 32 92,-2.2 94,-2.8 -2,-0.4 2,-0.4 -0.988 17.4-154.5-138.9 145.7 23.7 10.2 -32.8 5 14 A V E -aB 98 46A 0 41,-1.6 41,-2.3 -2,-0.3 2,-0.4 -0.979 7.6-171.0-125.9 133.5 21.3 9.6 -30.0 6 15 A K E -aB 99 45A 59 92,-2.9 94,-2.6 -2,-0.4 2,-0.4 -0.993 5.4-169.1-128.1 128.7 19.3 6.4 -29.4 7 16 A V E -a 100 0A 0 37,-2.5 9,-3.0 -2,-0.4 2,-0.3 -0.973 3.0-171.4-128.0 129.8 16.6 6.1 -26.8 8 17 A L E -aC 101 15A 70 92,-2.6 94,-2.9 -2,-0.4 2,-0.6 -0.863 20.2-134.2-113.7 152.4 14.7 3.0 -25.6 9 18 A D E >> -aC 102 14A 2 5,-3.3 5,-1.3 -2,-0.3 4,-0.9 -0.929 10.5-166.6-105.3 112.4 11.6 2.6 -23.3 10 19 A A T 45S+ 0 0 50 92,-3.0 93,-0.2 -2,-0.6 -1,-0.1 0.536 87.6 53.1 -77.7 -11.3 12.2 -0.1 -20.6 11 20 A V T 45S+ 0 0 84 91,-0.5 -1,-0.2 3,-0.1 92,-0.1 0.843 120.4 30.1 -84.8 -42.6 8.4 -0.2 -19.7 12 21 A R T 45S- 0 0 154 2,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.421 97.1-130.2 -99.9 -0.2 7.2 -0.8 -23.3 13 22 A G T <5S+ 0 0 75 -4,-0.9 -3,-0.2 1,-0.2 3,-0.0 0.934 73.5 105.3 50.1 48.7 10.1 -2.7 -24.7 14 23 A S E - 0 0 14 4,-3.3 3,-1.8 -2,-0.4 -1,-0.1 -0.335 28.8 -95.4 -82.9 171.1 31.2 28.6 -24.6 28 37 A A T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.808 125.4 56.1 -49.3 -38.1 34.4 30.6 -23.8 29 38 A D T 3 S- 0 0 106 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.136 121.1-108.0 -88.5 18.9 32.6 32.5 -21.0 30 39 A D S < S+ 0 0 115 -3,-1.8 2,-0.2 1,-0.2 -2,-0.1 0.548 79.9 124.8 67.3 12.2 31.6 29.1 -19.4 31 40 A T - 0 0 65 -6,-0.0 -4,-3.3 1,-0.0 2,-0.7 -0.660 68.7-103.7 -98.0 157.0 27.9 29.3 -20.3 32 41 A W E -J 26 0B 82 -2,-0.2 -6,-0.2 -6,-0.2 28,-0.1 -0.720 34.8-160.9 -79.5 113.4 25.9 26.7 -22.3 33 42 A E E -J 25 0B 102 -8,-3.2 -8,-2.8 -2,-0.7 2,-0.1 -0.806 27.9-107.0 -92.4 137.6 25.4 27.7 -25.9 34 43 A P E +J 24 0B 114 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.402 43.6 171.0 -59.5 130.0 22.6 26.0 -27.9 35 44 A F E - 0 0 40 -12,-3.2 2,-0.3 1,-0.4 -11,-0.2 0.769 53.6 -34.2-113.3 -49.7 24.2 23.7 -30.4 36 45 A A E -J 23 0B 20 -13,-1.7 -13,-3.5 14,-0.0 -1,-0.4 -0.963 53.1-167.6-166.6 160.4 21.6 21.5 -32.1 37 46 A S E +J 22 0B 75 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.974 13.3 148.6-151.4 167.9 18.3 19.9 -31.3 38 47 A G E -J 21 0B 26 -17,-2.4 -17,-2.9 -2,-0.3 2,-0.4 -0.976 37.4 -94.7-177.0-174.2 15.9 17.3 -32.6 39 48 A K E -J 20 0B 134 -2,-0.3 -19,-0.2 -19,-0.2 2,-0.1 -0.965 37.8-112.4-124.3 135.4 13.2 14.6 -32.0 40 49 A T - 0 0 1 -21,-1.9 -22,-1.8 -2,-0.4 6,-0.2 -0.408 36.2-130.2 -65.9 146.1 13.8 10.8 -32.0 41 50 A S > - 0 0 49 4,-2.3 3,-2.0 -24,-0.2 -23,-0.2 -0.012 37.3 -77.0 -82.1-169.9 12.2 8.9 -34.8 42 51 A E T 3 S+ 0 0 166 1,-0.3 -25,-0.1 -25,-0.1 -2,-0.1 0.772 134.6 51.6 -65.1 -22.3 10.0 5.9 -34.9 43 52 A S T 3 S- 0 0 48 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.2 0.314 120.7-108.8 -92.4 9.2 13.1 3.8 -34.3 44 53 A G S < S+ 0 0 0 -3,-2.0 -37,-2.5 1,-0.2 2,-0.3 0.666 78.3 131.7 71.2 17.4 14.1 5.9 -31.3 45 54 A E E -B 6 0A 51 -39,-0.2 -4,-2.3 -6,-0.1 2,-0.5 -0.804 44.0-163.2-105.4 145.8 17.0 7.4 -33.2 46 55 A L E +B 5 0A 14 -41,-2.3 -41,-1.6 -2,-0.3 3,-0.2 -0.939 22.1 167.6-127.8 103.7 18.1 11.0 -33.8 47 56 A H + 0 0 104 -2,-0.5 -43,-0.1 -43,-0.2 -2,-0.0 -0.660 51.5 40.2-105.9 166.1 20.5 11.4 -36.7 48 57 A G + 0 0 60 -2,-0.2 -1,-0.1 -45,-0.2 -44,-0.1 0.695 62.8 136.7 75.8 16.8 21.8 14.6 -38.5 49 58 A L S S- 0 0 16 -46,-0.6 2,-0.2 -3,-0.2 -12,-0.2 0.903 75.2 -11.8 -63.5 -36.6 22.2 16.7 -35.3 50 59 A T - 0 0 9 -47,-0.4 2,-0.3 -14,-0.1 -47,-0.2 -0.806 64.1-115.4-151.2-177.3 25.5 18.0 -36.6 51 60 A T > - 0 0 66 -2,-0.2 4,-2.2 -50,-0.1 -2,-0.0 -0.854 33.3-109.1-127.1 163.6 28.4 17.7 -39.1 52 61 A E T 4 S+ 0 0 122 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.890 119.8 50.7 -58.9 -39.5 32.1 16.9 -38.9 53 62 A E T 4 S+ 0 0 155 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.899 115.4 40.2 -63.0 -43.8 32.9 20.5 -39.6 54 63 A E T 4 S+ 0 0 95 1,-0.2 2,-1.8 2,-0.1 -2,-0.2 0.811 97.8 79.0 -79.4 -29.2 30.6 22.0 -37.0 55 64 A F < + 0 0 9 -4,-2.2 -1,-0.2 3,-0.0 3,-0.1 -0.501 67.0 164.5 -87.8 72.0 31.3 19.4 -34.2 56 65 A V - 0 0 71 -2,-1.8 32,-0.1 1,-0.2 -2,-0.1 -0.202 48.1 -64.5 -84.0 175.0 34.6 20.8 -32.9 57 66 A E S S+ 0 0 112 32,-0.2 2,-0.3 30,-0.1 -1,-0.2 -0.290 83.1 105.3 -53.9 144.0 36.5 20.0 -29.7 58 67 A G E S- L 0 88B 16 30,-1.4 30,-2.9 -3,-0.1 2,-0.5 -0.935 73.4 -74.1 167.2-178.4 34.5 21.1 -26.6 59 68 A I E - L 0 87B 41 -33,-0.3 -33,-2.7 -2,-0.3 2,-0.3 -0.926 51.2-167.8-101.8 127.1 32.4 20.1 -23.7 60 69 A Y E -KL 25 86B 0 26,-2.8 26,-2.0 -2,-0.5 2,-0.5 -0.865 14.4-154.3-117.9 150.4 28.9 19.2 -24.9 61 70 A K E -KL 24 85B 18 -37,-2.7 -37,-2.6 -2,-0.3 2,-0.6 -0.996 4.1-164.1-126.7 125.0 25.6 18.6 -23.0 62 71 A V E -KL 23 84B 0 22,-2.9 22,-2.6 -2,-0.5 2,-0.6 -0.946 8.9-166.7-107.2 115.1 23.0 16.4 -24.4 63 72 A E E -KL 22 83B 52 -41,-3.5 -41,-2.8 -2,-0.6 2,-0.6 -0.913 2.8-161.8-109.3 119.7 19.7 16.9 -22.7 64 73 A I E -KL 21 82B 0 18,-3.6 2,-2.6 -2,-0.6 18,-2.2 -0.888 19.7-134.0-103.4 120.5 16.9 14.3 -23.3 65 74 A D > + 0 0 43 -45,-3.2 4,-1.4 -2,-0.6 -45,-0.4 -0.384 42.6 156.9 -77.6 73.0 13.5 15.4 -22.4 66 75 A T H > + 0 0 4 -2,-2.6 4,-2.5 1,-0.2 5,-0.2 0.857 64.9 62.2 -63.7 -37.8 12.4 12.3 -20.6 67 76 A K H > S+ 0 0 52 13,-1.0 4,-2.5 -3,-0.3 -1,-0.2 0.930 104.0 45.0 -58.5 -49.7 9.7 14.1 -18.5 68 77 A S H > S+ 0 0 64 12,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.872 111.7 56.1 -63.4 -37.7 7.5 15.2 -21.5 69 78 A Y H X S+ 0 0 26 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.964 111.2 40.5 -55.0 -57.8 7.9 11.7 -22.9 70 79 A W H <>S+ 0 0 3 -4,-2.5 5,-2.6 1,-0.2 3,-0.2 0.891 113.1 55.9 -60.3 -39.0 6.5 10.0 -19.8 71 80 A K H ><5S+ 0 0 107 -4,-2.5 3,-2.2 1,-0.3 -1,-0.2 0.918 102.4 53.6 -63.5 -45.4 3.8 12.6 -19.3 72 81 A A H 3<5S+ 0 0 91 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.813 108.8 52.2 -56.1 -31.5 2.4 12.1 -22.8 73 82 A L T 3<5S- 0 0 61 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.477 124.1-109.4 -82.0 -1.3 2.2 8.4 -21.8 74 83 A G T < 5S+ 0 0 68 -3,-2.2 2,-0.4 1,-0.3 -3,-0.2 0.602 78.9 126.1 86.3 11.8 0.3 9.4 -18.6 75 84 A I < - 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