==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 04-MAR-08 3CFQ . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.-M.T.R.LIMA,D.FOGUEL,I.POLIKARPOV . 230 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 79.6 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 . 94 40.9 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 . 35 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.7 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 1 1 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 . 0 4 0 0 3 0 5 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 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 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 51 0, 0.0 3,-0.1 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 113.4 15.6 -11.4 -38.5 2 11 A P + 0 0 7 0, 0.0 94,-3.4 0, 0.0 2,-0.4 0.742 360.0 34.2 -81.5 -27.0 13.4 -12.5 -35.6 3 12 A L E +a 96 0A 0 47,-0.2 46,-0.7 92,-0.2 2,-0.3 -0.954 69.2 162.8-133.8 116.3 16.0 -12.9 -32.8 4 13 A M E -a 97 0A 20 92,-2.8 94,-3.1 -2,-0.4 2,-0.4 -0.968 21.2-150.4-134.1 149.8 19.1 -10.6 -32.5 5 14 A V E -aB 98 46A 1 41,-1.8 41,-2.5 -2,-0.3 2,-0.4 -0.965 7.7-172.2-122.2 131.5 21.5 -9.7 -29.8 6 15 A K E -aB 99 45A 65 92,-2.5 94,-2.4 -2,-0.4 2,-0.4 -0.992 7.6-172.1-122.3 132.5 23.5 -6.4 -29.3 7 16 A V E -a 100 0A 0 37,-2.5 9,-2.2 -2,-0.4 2,-0.3 -0.981 2.8-168.9-128.3 134.2 26.2 -6.1 -26.7 8 17 A L E -aC 101 15A 72 92,-2.5 94,-2.6 -2,-0.4 2,-0.6 -0.889 20.0-132.1-118.7 152.1 28.1 -3.0 -25.5 9 18 A D E >> -aC 102 14A 2 5,-3.7 4,-1.5 -2,-0.3 5,-1.3 -0.920 12.4-168.1-104.5 115.3 31.2 -2.6 -23.3 10 19 A A T 45S+ 0 0 48 92,-2.6 93,-0.2 -2,-0.6 -1,-0.1 0.568 86.2 53.4 -80.5 -11.7 30.7 0.0 -20.6 11 20 A V T 45S+ 0 0 84 91,-0.5 -1,-0.2 3,-0.1 92,-0.1 0.852 120.2 28.7 -86.5 -43.3 34.4 0.1 -19.7 12 21 A R T 45S- 0 0 134 2,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.611 98.7-126.2 -95.6 -13.7 35.8 0.7 -23.2 13 22 A G T <5S+ 0 0 75 -4,-1.5 -3,-0.2 1,-0.3 -5,-0.0 0.932 74.4 108.9 63.3 49.2 32.8 2.6 -24.6 14 23 A S E - 0 0 0 -9,-2.2 3,-0.6 28,-0.2 2,-0.3 -0.781 40.5-157.2 -84.5 106.9 31.5 -6.0 -27.2 17 26 A I T 3 + 0 0 36 -2,-0.9 24,-0.2 1,-0.2 25,-0.1 -0.629 62.6 11.2 -94.9 143.0 33.2 -8.0 -29.9 18 27 A N T 3 S+ 0 0 105 22,-1.8 2,-0.6 -2,-0.3 -1,-0.2 0.747 77.7 161.5 64.4 28.0 33.5 -11.8 -30.1 19 28 A V < - 0 0 0 -3,-0.6 21,-1.9 22,-0.2 -1,-0.2 -0.711 36.8-131.5 -80.0 119.7 31.0 -12.3 -27.2 20 29 A A E -J 39 0B 20 -2,-0.6 45,-2.9 45,-0.4 2,-0.4 -0.510 23.9-167.3 -72.2 138.5 29.8 -15.9 -27.4 21 30 A V E -JK 38 64B 0 17,-2.8 17,-2.2 43,-0.2 2,-0.5 -0.997 7.8-168.4-132.4 127.8 26.0 -16.4 -27.1 22 31 A H E -JK 37 63B 71 41,-2.5 41,-3.3 -2,-0.4 2,-0.4 -0.976 6.9-160.2-116.8 129.2 24.1 -19.6 -26.6 23 32 A V E -JK 36 62B 1 13,-3.9 12,-3.1 -2,-0.5 13,-1.8 -0.913 10.2-175.4-110.3 132.7 20.3 -19.8 -27.0 24 33 A F E -JK 34 61B 39 37,-2.5 37,-2.5 -2,-0.4 2,-0.4 -0.895 12.7-149.4-124.1 155.1 18.2 -22.6 -25.5 25 34 A R E -JK 33 60B 65 8,-2.9 8,-2.9 -2,-0.3 2,-0.4 -0.991 25.3-115.6-126.3 135.3 14.5 -23.5 -25.7 26 35 A K E -J 32 0B 68 33,-2.8 33,-0.3 -2,-0.4 6,-0.2 -0.538 37.2-148.8 -69.7 120.9 12.5 -25.2 -22.9 27 36 A A > - 0 0 15 4,-3.0 3,-2.0 -2,-0.4 -1,-0.1 -0.274 30.4 -92.7 -85.4 174.1 11.4 -28.6 -24.1 28 37 A A T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.829 126.4 52.9 -52.3 -37.3 8.2 -30.6 -23.3 29 38 A D T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.239 120.9-105.8 -88.6 11.8 10.1 -32.4 -20.5 30 39 A D S < S+ 0 0 116 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.533 78.7 129.3 76.8 9.7 11.2 -29.1 -18.9 31 40 A T - 0 0 77 -6,-0.0 -4,-3.0 1,-0.0 2,-0.9 -0.644 66.5-108.9 -94.1 153.7 14.8 -29.3 -20.0 32 41 A W E -J 26 0B 80 -2,-0.2 -6,-0.2 -6,-0.2 28,-0.1 -0.741 35.8-161.1 -83.3 107.1 16.8 -26.6 -21.8 33 42 A E E -J 25 0B 108 -8,-2.9 -8,-2.9 -2,-0.9 2,-0.1 -0.723 27.5-105.8 -89.2 133.2 17.3 -27.8 -25.4 34 43 A P E +J 24 0B 104 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.408 46.3 167.2 -58.6 128.2 20.1 -26.2 -27.5 35 44 A F E - 0 0 51 -12,-3.1 2,-0.3 1,-0.4 -11,-0.2 0.788 53.9 -24.7-112.9 -49.1 18.4 -23.8 -29.9 36 45 A A E -J 23 0B 18 -13,-1.8 -13,-3.9 14,-0.0 -1,-0.4 -0.973 51.4-168.7-163.6 156.2 21.1 -21.6 -31.5 37 46 A S E +J 22 0B 79 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.990 16.6 139.2-151.1 156.9 24.5 -20.1 -30.9 38 47 A G E -J 21 0B 27 -17,-2.2 -17,-2.8 -2,-0.3 2,-0.4 -0.939 38.8-101.6-170.9-168.8 26.9 -17.5 -32.3 39 48 A K E -J 20 0B 130 -2,-0.3 -19,-0.2 -19,-0.2 6,-0.1 -0.993 35.0-107.9-138.0 140.2 29.3 -14.7 -31.6 40 49 A T - 0 0 2 -21,-1.9 -22,-1.8 -2,-0.4 6,-0.2 -0.380 36.1-134.2 -67.5 146.9 28.9 -10.9 -31.8 41 50 A S > - 0 0 53 4,-2.2 3,-1.7 -24,-0.2 -23,-0.2 -0.019 39.7 -74.9 -86.5-167.1 30.7 -9.1 -34.7 42 51 A E T 3 S+ 0 0 137 1,-0.3 -25,-0.1 -25,-0.1 -2,-0.1 0.768 135.3 53.6 -62.9 -28.0 32.8 -6.0 -34.7 43 52 A S T 3 S- 0 0 55 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.2 0.422 118.7-114.5 -84.8 -0.6 29.6 -3.9 -34.3 44 53 A G S < S+ 0 0 0 -3,-1.7 -37,-2.5 1,-0.3 2,-0.3 0.634 76.6 127.4 75.1 16.0 28.8 -6.0 -31.2 45 54 A E E -B 6 0A 63 -39,-0.2 -4,-2.2 -6,-0.1 2,-0.5 -0.789 46.6-158.2-109.6 147.9 25.7 -7.5 -33.0 46 55 A L E +B 5 0A 12 -41,-2.5 -41,-1.8 -2,-0.3 2,-0.2 -0.967 21.4 166.1-127.2 115.1 24.6 -11.1 -33.6 47 56 A H + 0 0 95 -2,-0.5 -43,-0.1 -43,-0.2 -2,-0.0 -0.671 50.0 43.6-117.5 171.3 22.2 -11.8 -36.4 48 57 A G + 0 0 65 -2,-0.2 -1,-0.1 2,-0.1 -44,-0.1 0.767 62.3 136.8 65.2 30.0 21.0 -15.0 -38.3 49 58 A L S S- 0 0 21 -46,-0.7 2,-0.3 -3,-0.2 -12,-0.2 0.882 73.8 -12.0 -70.9 -40.3 20.6 -17.1 -35.1 50 59 A T - 0 0 22 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.862 67.5-109.5-149.0 178.2 17.3 -18.5 -36.3 51 60 A T > - 0 0 65 -2,-0.3 4,-2.1 -50,-0.1 -2,-0.0 -0.755 32.8-109.3-113.5 168.3 14.5 -18.3 -38.8 52 61 A E T 4 S+ 0 0 130 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.773 119.9 49.9 -65.4 -30.0 10.9 -17.2 -38.6 53 62 A E T 4 S+ 0 0 171 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.857 113.9 42.2 -75.2 -40.6 9.8 -20.8 -39.1 54 63 A E T 4 S+ 0 0 132 1,-0.2 2,-2.0 2,-0.1 -2,-0.2 0.786 96.4 80.2 -79.7 -27.8 12.1 -22.3 -36.4 55 64 A F < + 0 0 6 -4,-2.1 -1,-0.2 3,-0.0 3,-0.1 -0.484 68.5 162.0 -82.4 69.1 11.5 -19.6 -33.8 56 65 A V - 0 0 74 -2,-2.0 32,-0.1 1,-0.2 34,-0.1 -0.176 49.4 -63.0 -80.4 176.4 8.1 -21.0 -32.6 57 66 A E S S+ 0 0 80 32,-0.2 2,-0.3 30,-0.1 32,-0.2 -0.381 82.9 106.0 -58.6 137.0 6.3 -20.2 -29.3 58 67 A G E S- L 0 88B 4 30,-1.5 30,-2.8 -3,-0.1 2,-0.6 -0.966 72.9 -74.4 173.7-179.7 8.2 -21.2 -26.3 59 68 A I E - L 0 87B 38 -33,-0.3 -33,-2.8 -2,-0.3 2,-0.3 -0.921 51.4-167.1-100.3 118.7 10.3 -20.2 -23.3 60 69 A Y E -KL 25 86B 0 26,-3.2 26,-2.3 -2,-0.6 2,-0.5 -0.778 14.4-154.7-109.7 149.2 13.8 -19.2 -24.5 61 70 A K E -KL 24 85B 23 -37,-2.5 -37,-2.5 -2,-0.3 2,-0.7 -0.985 4.5-161.8-123.6 118.8 17.0 -18.6 -22.6 62 71 A V E -KL 23 84B 0 22,-3.2 22,-2.9 -2,-0.5 2,-0.6 -0.905 8.2-164.8-100.3 114.9 19.7 -16.3 -24.0 63 72 A E E -KL 22 83B 32 -41,-3.3 -41,-2.5 -2,-0.7 2,-0.7 -0.885 2.1-163.6-103.9 112.4 23.1 -17.0 -22.4 64 73 A I E -KL 21 82B 0 18,-3.1 2,-2.4 -2,-0.6 18,-2.1 -0.870 19.8-135.8 -99.8 113.7 25.7 -14.2 -23.0 65 74 A D > + 0 0 19 -45,-2.9 4,-1.3 -2,-0.7 -45,-0.4 -0.387 42.0 157.5 -76.8 74.4 29.1 -15.6 -22.2 66 75 A T H > + 0 0 4 -2,-2.4 4,-2.5 2,-0.2 5,-0.2 0.831 66.2 56.1 -70.2 -37.6 30.3 -12.5 -20.3 67 76 A K H > S+ 0 0 54 13,-1.7 4,-2.8 1,-0.2 5,-0.3 0.946 106.8 50.0 -61.8 -49.2 33.0 -14.2 -18.2 68 77 A S H > S+ 0 0 79 12,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.869 111.9 51.6 -53.7 -39.5 34.8 -15.6 -21.3 69 78 A Y H < S+ 0 0 14 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.956 113.6 39.7 -63.3 -55.6 34.6 -12.0 -22.7 70 79 A W H ><>S+ 0 0 3 -4,-2.5 5,-2.4 1,-0.2 3,-1.0 0.851 116.1 52.8 -64.8 -37.1 36.2 -10.2 -19.7 71 80 A K H ><5S+ 0 0 99 -4,-2.8 3,-2.2 1,-0.2 -1,-0.2 0.898 99.8 60.7 -63.0 -44.8 38.7 -13.1 -19.2 72 81 A A T 3<5S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.573 110.1 46.2 -60.4 -6.5 39.8 -12.9 -22.9 73 82 A L T < 5S- 0 0 77 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.171 122.3-101.2-122.4 13.7 40.8 -9.3 -21.9 74 83 A G T < 5S+ 0 0 74 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.793 82.0 125.0 70.4 28.7 42.6 -9.9 -18.6 75 84 A I < - 0 0 53 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.2 -0.980 55.4-142.9-117.7 133.0 39.7 -8.8 -16.3 76 85 A S - 0 0 88 -2,-0.4 2,-0.1 -3,-0.1 -9,-0.1 -0.851 29.6-163.5 -93.2 103.8 38.4 -11.1 -13.6 77 86 A P - 0 0 15 0, 0.0 28,-0.2 0, 0.0 -10,-0.0 -0.316 23.7-129.2 -88.2 169.6 34.6 -10.5 -13.7 78 87 A F S S+ 0 0 11 26,-2.7 126,-0.9 125,-0.1 2,-0.2 0.915 83.8 64.4 -80.3 -48.5 31.9 -11.3 -11.2 79 88 A H E - M 0 203B 3 25,-0.5 124,-0.3 124,-0.2 3,-0.1 -0.492 63.0-149.6 -86.6 146.5 29.3 -13.1 -13.3 80 89 A E E S- 0 0 39 122,-2.4 -13,-1.7 1,-0.3 -12,-0.4 0.929 81.2 -31.6 -70.8 -49.4 29.7 -16.4 -15.2 81 90 A H E - M 0 202B 25 121,-0.5 121,-0.5 -15,-0.2 2,-0.4 -0.956 63.0-103.4-167.3 153.3 27.3 -15.3 -17.9 82 91 A A E -LM 64 201B 0 -18,-2.1 -18,-3.1 -2,-0.3 2,-0.5 -0.739 34.8-155.7 -86.3 131.0 24.2 -13.1 -18.3 83 92 A E E -LM 63 200B 6 117,-0.8 117,-0.8 -2,-0.4 2,-0.7 -0.923 10.7-173.0-115.4 112.6 21.0 -15.1 -18.6 84 93 A V E -LM 62 199B 0 -22,-2.9 -22,-3.2 -2,-0.5 2,-0.5 -0.899 9.3-177.2-108.6 109.4 17.9 -13.6 -20.4 85 94 A V E +LM 61 198B 1 -2,-0.7 112,-3.1 113,-0.5 113,-0.5 -0.935 15.1 147.1-114.3 125.7 14.8 -15.9 -20.0 86 95 A F E -LM 60 196B 0 -26,-2.3 -26,-3.2 -2,-0.5 2,-0.5 -0.992 48.8-110.7-153.6 152.3 11.5 -15.0 -21.8 87 96 A T E -L 59 0B 33 108,-0.7 2,-0.3 -2,-0.3 -28,-0.2 -0.778 42.0-162.1 -82.4 129.5 8.4 -16.4 -23.4 88 97 A A E +L 58 0B 0 -30,-2.8 -30,-1.5 -2,-0.5 4,-0.1 -0.888 56.5 3.2-116.9 147.9 8.5 -15.6 -27.1 89 98 A N S > S+ 0 0 16 -2,-0.3 3,-1.0 -32,-0.2 -32,-0.2 0.712 72.9 139.3 60.5 27.7 5.9 -15.5 -29.8 90 99 A D T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.664 78.7 38.9 -79.9 -12.5 2.9 -16.3 -27.5 91 100 A S T 3 S- 0 0 94 1,-0.7 -1,-0.3 0, 0.0 -2,-0.1 -0.289 136.7 -66.9-122.5 46.9 0.7 -13.8 -29.3 92 101 A G S < S- 0 0 33 -3,-1.0 -1,-0.7 -4,-0.1 -3,-0.1 -0.120 87.3 -29.7 86.6 168.8 2.0 -14.6 -32.8 93 102 A P + 0 0 98 0, 0.0 2,-0.3 0, 0.0 -37,-0.1 -0.296 62.7 175.5 -61.7 128.7 5.4 -13.9 -34.3 94 103 A R - 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