==== 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 LIGAND BINDING PROTEIN 13-JUN-08 3DGD . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.C.PALMIERI,J.B.B.FREIRE,D.FOGUEL,L.M.T.R.LIMA . 462 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 37.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 4 0.9 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 . 56 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 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 4 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 8 0 0 6 0 4 4 4 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 4 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 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 74 0, 0.0 3,-0.1 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 137.7 8.2 -21.6 36.1 2 11 A P + 0 0 20 0, 0.0 94,-2.6 0, 0.0 2,-0.4 0.759 360.0 26.8 -64.9 -28.8 5.7 -18.9 37.2 3 12 A L E +a 96 0A 0 92,-0.2 46,-0.6 47,-0.2 2,-0.4 -0.982 69.6 170.9-139.4 127.3 8.4 -16.3 36.4 4 13 A M E -a 97 0A 22 92,-2.3 94,-2.7 -2,-0.4 2,-0.4 -0.990 16.3-153.6-134.0 144.6 11.2 -16.7 33.9 5 14 A V E -aB 98 46A 0 41,-1.6 41,-2.5 -2,-0.4 2,-0.4 -0.979 9.2-172.2-120.8 131.8 13.6 -14.0 32.7 6 15 A K E -aB 99 45A 53 92,-2.8 94,-3.0 -2,-0.4 2,-0.5 -0.985 2.7-167.3-128.1 131.4 15.3 -14.1 29.3 7 16 A V E -a 100 0A 0 37,-2.7 9,-2.6 -2,-0.4 2,-0.4 -0.973 2.1-171.0-127.0 124.9 18.1 -11.7 28.2 8 17 A L E -aC 101 15A 12 92,-2.7 94,-2.8 -2,-0.5 2,-0.8 -0.944 22.2-132.3-114.0 138.3 19.4 -11.2 24.7 9 18 A D E >> -aC 102 14A 1 5,-2.8 4,-1.8 -2,-0.4 5,-1.5 -0.832 17.6-170.4 -91.3 106.0 22.5 -9.1 23.8 10 19 A A T 45S+ 0 0 1 92,-2.5 328,-2.7 -2,-0.8 329,-0.3 0.594 80.7 58.1 -74.5 -16.4 21.4 -6.9 20.8 11 20 A V T 45S+ 0 0 0 91,-0.6 -1,-0.2 326,-0.2 92,-0.1 0.901 119.5 24.5 -80.4 -40.8 25.0 -5.7 20.2 12 21 A R T 45S- 0 0 76 2,-0.1 -2,-0.2 325,-0.1 451,-0.2 0.594 101.7-119.2-100.6 -12.8 26.5 -9.1 19.6 13 22 A G T <5S+ 0 0 0 -4,-1.8 450,-3.0 1,-0.3 -3,-0.2 0.939 73.6 108.4 76.6 44.9 23.5 -11.1 18.5 14 23 A S E - 0 0 22 4,-2.5 3,-1.6 -2,-0.6 -1,-0.0 -0.222 32.2 -90.7 -82.8 173.0 6.5 -4.4 50.2 28 37 A A T 3 S+ 0 0 114 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.841 124.4 56.2 -55.9 -40.6 3.9 -2.4 52.2 29 38 A D T 3 S- 0 0 107 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.297 118.9-110.7 -74.4 4.5 6.4 0.4 53.2 30 39 A D S < S+ 0 0 107 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.767 78.2 128.6 71.1 29.5 7.0 0.9 49.6 31 40 A T - 0 0 62 -6,-0.1 -4,-2.5 117,-0.1 2,-0.7 -0.756 67.9-108.1 -99.5 163.4 10.6 -0.4 49.6 32 41 A W E -J 26 0B 68 -2,-0.3 -6,-0.2 -6,-0.2 28,-0.1 -0.842 33.6-152.4 -92.3 118.2 11.6 -3.1 47.2 33 42 A E E -J 25 0B 96 -8,-2.9 -8,-2.2 -2,-0.7 2,-0.0 -0.765 25.6-106.7 -88.5 131.8 12.0 -6.4 49.1 34 43 A P E +J 24 0B 104 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.366 45.0 168.9 -56.0 135.1 14.4 -9.0 47.7 35 44 A F E - 0 0 39 -12,-3.1 2,-0.3 1,-0.5 -11,-0.2 0.721 55.5 -28.6-121.8 -45.5 12.4 -11.8 46.1 36 45 A A E -J 23 0B 22 -13,-1.8 -13,-3.1 14,-0.0 -1,-0.5 -0.977 54.9-175.0-167.1 160.7 14.7 -14.0 44.0 37 46 A S E +J 22 0B 81 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.972 14.2 137.2-153.4 174.3 17.9 -13.8 42.1 38 47 A G E -J 21 0B 23 -17,-2.0 -17,-2.8 -2,-0.3 2,-0.4 -0.972 44.9 -87.6 173.0-167.4 20.3 -15.8 39.8 39 48 A K E -J 20 0B 138 -2,-0.3 -19,-0.2 -19,-0.2 6,-0.1 -0.972 43.9-104.0-129.6 147.0 22.4 -15.7 36.7 40 49 A T - 0 0 2 -21,-2.2 -22,-1.8 -2,-0.4 6,-0.2 -0.208 33.1-128.2 -73.9 152.5 21.3 -16.5 33.2 41 50 A S > - 0 0 49 4,-2.5 3,-1.9 -24,-0.2 -22,-0.2 -0.121 41.7 -77.4 -82.1-170.2 22.2 -19.7 31.5 42 51 A E T 3 S+ 0 0 153 1,-0.3 -25,-0.1 2,-0.1 -2,-0.1 0.674 133.1 53.3 -70.0 -14.8 23.7 -20.4 28.1 43 52 A S T 3 S- 0 0 49 2,-0.2 -1,-0.3 -27,-0.1 -27,-0.1 0.405 120.2-109.2 -97.3 6.7 20.4 -19.6 26.5 44 53 A G S < S+ 0 0 0 -3,-1.9 -37,-2.7 1,-0.3 2,-0.3 0.578 79.4 128.7 83.3 10.8 20.1 -16.3 28.3 45 54 A E E -B 6 0A 46 -39,-0.2 -4,-2.5 -6,-0.1 2,-0.5 -0.775 47.1-158.6-106.6 149.7 17.3 -17.7 30.5 46 55 A L E +B 5 0A 18 -41,-2.5 -41,-1.6 -2,-0.3 3,-0.2 -0.958 22.2 174.3-127.4 107.7 16.9 -17.8 34.2 47 56 A H + 0 0 96 -2,-0.5 -43,-0.1 -43,-0.2 -2,-0.0 -0.646 51.5 41.4-104.7 165.4 14.5 -20.5 35.4 48 57 A G + 0 0 63 -2,-0.2 -1,-0.2 -45,-0.2 -44,-0.1 0.636 63.5 137.6 78.2 17.1 13.5 -21.6 38.9 49 58 A L - 0 0 16 -46,-0.6 2,-0.2 -3,-0.2 -12,-0.2 0.877 69.3 -10.4 -62.4 -42.4 13.3 -18.2 40.4 50 59 A T - 0 0 13 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.849 60.5-116.2-145.9-175.0 10.1 -18.8 42.4 51 60 A T > - 0 0 69 -2,-0.2 4,-2.5 -50,-0.1 3,-0.2 -0.851 34.7-110.0-125.8 160.8 7.1 -21.1 43.1 52 61 A E T 4 S+ 0 0 123 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.919 119.2 56.9 -56.5 -45.7 3.4 -20.4 42.6 53 62 A E T 4 S+ 0 0 172 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.887 114.1 36.6 -49.6 -46.7 3.0 -20.3 46.4 54 63 A E T 4 S+ 0 0 93 -3,-0.2 2,-2.2 1,-0.2 -1,-0.2 0.781 98.3 81.9 -80.0 -29.6 5.6 -17.5 46.8 55 64 A F < + 0 0 4 -4,-2.5 -1,-0.2 3,-0.0 3,-0.1 -0.446 68.0 167.9 -84.2 73.0 4.7 -15.6 43.6 56 65 A V - 0 0 66 -2,-2.2 32,-0.1 1,-0.2 -2,-0.1 -0.211 47.4 -71.3 -77.5 166.7 1.7 -13.7 45.1 57 66 A E S S+ 0 0 122 32,-0.2 2,-0.3 30,-0.1 32,-0.2 -0.361 85.3 103.4 -52.9 132.7 -0.2 -10.8 43.6 58 67 A G E S- L 0 88B 17 30,-1.8 30,-3.1 -3,-0.1 2,-0.5 -0.988 73.2 -71.9 173.9-173.9 2.0 -7.8 43.7 59 68 A I E - L 0 87B 28 -33,-0.3 -33,-3.1 -2,-0.3 2,-0.3 -0.941 48.2-167.6-109.3 124.7 4.3 -5.4 41.9 60 69 A Y E -KL 25 86B 0 26,-2.8 26,-2.7 -2,-0.5 2,-0.4 -0.805 12.9-154.3-116.2 144.8 7.7 -6.8 40.9 61 70 A K E -KL 24 85B 16 -37,-2.4 -37,-2.5 -2,-0.3 2,-0.5 -0.992 3.9-161.0-118.4 134.7 10.9 -5.4 39.7 62 71 A V E -KL 23 84B 0 22,-2.7 22,-2.4 -2,-0.4 2,-0.5 -0.945 8.8-169.7-110.0 126.4 13.4 -7.3 37.6 63 72 A E E -KL 22 83B 21 -41,-2.9 -41,-2.8 -2,-0.5 2,-0.5 -0.993 4.1-162.8-118.8 123.9 17.0 -5.8 37.5 64 73 A I E -KL 21 82B 0 18,-3.2 18,-2.3 -2,-0.5 2,-0.4 -0.928 24.5-121.9-107.2 127.3 19.5 -7.1 35.1 65 74 A D E + L 0 81B 56 -45,-3.0 16,-0.2 -2,-0.5 -45,-0.1 -0.559 45.3 154.0 -76.2 121.6 23.1 -6.3 35.8 66 75 A T > + 0 0 7 14,-3.6 4,-0.8 -2,-0.4 3,-0.3 0.519 36.5 103.3-119.4 -10.8 24.7 -4.5 32.9 67 76 A K T 4 S+ 0 0 139 13,-1.6 3,-0.3 1,-0.3 14,-0.1 0.835 99.1 19.0 -51.1 -55.8 27.4 -2.4 34.3 68 77 A S T >4 S+ 0 0 61 12,-0.2 3,-1.7 1,-0.2 4,-0.4 0.488 101.6 88.3 -96.2 -0.5 30.3 -4.6 33.2 69 78 A Y T 34 S+ 0 0 53 -3,-0.3 3,-0.2 1,-0.3 -2,-0.2 0.767 94.2 45.4 -62.7 -25.3 28.6 -6.6 30.5 70 79 A W T 3<>S+ 0 0 2 -4,-0.8 5,-1.9 -3,-0.3 4,-0.5 -0.072 84.8 100.7-107.1 21.6 29.5 -4.0 28.0 71 80 A K T X 5S+ 0 0 147 -3,-1.7 3,-1.4 2,-0.2 -1,-0.2 0.902 78.0 51.1 -82.4 -43.2 33.1 -3.5 29.1 72 81 A A T 3 5S+ 0 0 99 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.722 106.5 61.6 -65.9 -22.0 34.9 -5.5 26.4 73 82 A L T 3 5S- 0 0 22 2,-0.2 -1,-0.3 -4,-0.1 -2,-0.2 0.752 112.5-122.7 -66.7 -31.9 32.8 -3.5 24.2 74 83 A G T < 5S+ 0 0 71 -3,-1.4 2,-0.4 -4,-0.5 -3,-0.2 0.484 72.5 118.2 90.2 12.7 34.4 -0.3 25.4 75 84 A I < - 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