==== 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 20-JUN-08 3DID . 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) . 20871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 69.3 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 . 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 . 44 9.5 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 . 12 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 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 76 0, 0.0 3,-0.2 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 133.0 6.1 19.9 15.5 2 11 A P + 0 0 26 0, 0.0 94,-2.5 0, 0.0 2,-0.3 0.786 360.0 22.8 -60.5 -33.4 4.7 17.4 18.0 3 12 A L E S+a 96 0A 0 92,-0.2 46,-0.6 47,-0.2 2,-0.3 -0.985 70.4 170.7-141.7 124.5 5.6 14.7 15.2 4 13 A M E -a 97 0A 26 92,-1.6 94,-2.3 -2,-0.3 2,-0.4 -0.981 15.5-154.9-133.3 145.1 8.2 15.0 12.3 5 14 A V E -aB 98 46A 1 41,-1.3 41,-1.7 -2,-0.3 2,-0.4 -0.980 7.4-170.3-122.1 130.8 9.5 12.2 9.9 6 15 A K E -aB 99 45A 61 92,-2.5 94,-2.5 -2,-0.4 2,-0.4 -0.989 2.5-167.3-126.3 134.2 12.8 12.3 8.1 7 16 A V E -a 100 0A 1 37,-2.3 9,-2.1 -2,-0.4 2,-0.3 -0.965 1.7-170.2-123.2 125.2 13.9 9.8 5.3 8 17 A L E -aC 101 15A 17 92,-2.8 94,-2.5 -2,-0.4 2,-0.8 -0.950 23.2-131.6-112.7 148.4 17.5 9.2 3.9 9 18 A D E >> -aC 102 14A 2 5,-3.0 4,-1.6 -2,-0.3 5,-1.4 -0.832 19.6-170.7 -96.4 106.7 18.4 7.1 0.7 10 19 A A T 45S+ 0 0 1 92,-2.2 328,-2.2 -2,-0.8 329,-0.3 0.543 80.4 58.6 -78.6 -11.5 21.3 4.8 1.9 11 20 A V T 45S+ 0 0 0 91,-0.5 -1,-0.2 326,-0.2 328,-0.1 0.895 118.7 24.5 -82.3 -45.1 22.1 3.6 -1.7 12 21 A R T 45S- 0 0 77 2,-0.2 -2,-0.2 325,-0.1 451,-0.1 0.511 101.4-120.8 -97.2 -11.2 22.8 7.1 -3.3 13 22 A G T <5S+ 0 0 1 -4,-1.6 450,-2.5 1,-0.2 -3,-0.2 0.952 73.3 112.0 66.8 49.6 23.8 9.1 -0.2 14 23 A S E - 0 0 21 4,-1.5 3,-0.7 -2,-0.1 -1,-0.1 -0.391 28.4-100.6-102.0-178.4 -8.6 2.2 17.4 28 37 A A T 3 S+ 0 0 99 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.931 121.7 51.2 -68.8 -47.2 -10.8 0.3 19.9 29 38 A D T 3 S- 0 0 106 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.382 121.8-107.8 -72.4 6.1 -11.9 -2.4 17.4 30 39 A D S < S+ 0 0 117 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.726 77.8 130.0 71.3 23.8 -8.2 -2.9 16.7 31 40 A T - 0 0 77 -6,-0.1 -4,-1.5 117,-0.1 2,-0.5 -0.832 64.2-111.4-102.5 148.7 -8.2 -1.4 13.2 32 41 A W E -J 26 0B 73 -2,-0.3 -6,-0.2 -6,-0.2 28,-0.1 -0.667 32.6-156.1 -79.8 123.4 -5.7 1.3 12.1 33 42 A E E -J 25 0B 93 -8,-2.3 -8,-2.2 -2,-0.5 -1,-0.0 -0.880 24.7-105.1-103.3 130.8 -7.5 4.6 11.6 34 43 A P E +J 24 0B 105 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.259 43.1 167.2 -52.9 136.9 -6.1 7.2 9.3 35 44 A F E - 0 0 45 -12,-2.5 2,-0.3 1,-0.5 -11,-0.2 0.598 56.2 -25.4-129.2 -29.3 -4.4 10.1 11.2 36 45 A A E -J 23 0B 25 -13,-1.3 -13,-2.4 14,-0.0 -1,-0.5 -0.953 53.9-174.2-176.8 164.0 -2.3 12.3 8.8 37 46 A S E +J 22 0B 83 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.976 14.8 133.4-161.9 174.3 -0.4 12.1 5.4 38 47 A G E -J 21 0B 26 -17,-1.7 -17,-2.5 -2,-0.3 2,-0.3 -0.978 45.1 -85.1 170.0-172.2 2.0 14.1 3.0 39 48 A K E -J 20 0B 138 -2,-0.3 -19,-0.2 -19,-0.2 -21,-0.1 -0.988 44.2-103.1-126.3 145.2 5.2 14.0 0.9 40 49 A T - 0 0 3 -21,-2.2 -22,-1.9 -2,-0.3 6,-0.2 -0.233 34.0-125.2 -62.8 152.1 8.8 14.7 2.0 41 50 A S > - 0 0 49 4,-2.9 3,-1.9 -24,-0.2 -22,-0.2 -0.068 39.4 -82.0 -80.3-179.3 10.7 18.0 1.2 42 51 A E T 3 S+ 0 0 174 1,-0.3 -25,-0.1 -25,-0.1 -1,-0.1 0.692 133.4 52.1 -60.7 -19.9 14.0 18.8 -0.5 43 52 A S T 3 S- 0 0 52 2,-0.2 -1,-0.3 -27,-0.1 -27,-0.1 0.351 120.9-108.8 -94.0 4.1 15.7 18.0 2.9 44 53 A G S < S+ 0 0 0 -3,-1.9 -37,-2.3 1,-0.3 2,-0.3 0.564 80.4 126.3 75.2 17.7 13.9 14.6 3.2 45 54 A E E -B 6 0A 47 -39,-0.2 -4,-2.9 -6,-0.1 2,-0.4 -0.716 48.8-156.9-111.2 149.6 11.7 16.0 6.0 46 55 A L E +B 5 0A 17 -41,-1.7 -41,-1.3 -2,-0.3 3,-0.2 -0.944 21.9 176.3-128.1 110.2 7.8 16.2 6.5 47 56 A H + 0 0 99 -2,-0.4 -43,-0.1 -43,-0.2 -2,-0.0 -0.545 51.9 43.7-106.8 162.7 6.7 18.9 8.9 48 57 A G + 0 0 67 -2,-0.2 -1,-0.2 -45,-0.1 -44,-0.1 0.654 62.5 139.4 81.7 15.5 3.2 20.0 9.9 49 58 A L - 0 0 21 -46,-0.6 2,-0.2 -3,-0.2 -12,-0.2 0.870 67.2 -13.7 -60.9 -42.6 1.6 16.6 10.4 50 59 A T - 0 0 19 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.815 62.7-105.1-148.3 177.9 -0.5 17.3 13.6 51 60 A T > - 0 0 66 -2,-0.2 4,-1.7 -50,-0.1 3,-0.2 -0.906 33.2-114.0-113.0 157.1 -1.2 19.6 16.6 52 61 A E T 4 S+ 0 0 124 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.847 120.6 50.5 -50.7 -37.0 -0.3 19.2 20.3 53 62 A E T 4 S+ 0 0 177 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.909 111.4 44.6 -71.3 -42.8 -4.1 18.9 20.9 54 63 A E T 4 S+ 0 0 113 -3,-0.2 2,-1.7 1,-0.2 -2,-0.2 0.654 93.0 84.9 -75.2 -19.0 -4.8 16.3 18.2 55 64 A F < + 0 0 13 -4,-1.7 -1,-0.2 -3,-0.0 3,-0.1 -0.509 67.3 171.4 -92.4 70.3 -1.7 14.1 19.2 56 65 A V - 0 0 68 -2,-1.7 32,-0.1 1,-0.2 -2,-0.1 -0.199 42.0 -75.4 -79.1 169.9 -3.4 12.2 22.0 57 66 A E S S+ 0 0 108 32,-0.1 2,-0.3 30,-0.1 -1,-0.2 -0.364 82.4 89.7 -65.3 138.2 -2.1 9.2 23.9 58 67 A G E S- L 0 88B 26 30,-0.6 30,-3.0 -3,-0.1 2,-0.4 -0.979 76.8 -59.5 162.5-167.7 -2.2 5.8 21.9 59 68 A I E - L 0 87B 29 -2,-0.3 -33,-2.9 28,-0.2 2,-0.3 -0.942 49.0-166.7-111.3 131.7 -0.3 3.5 19.5 60 69 A Y E -KL 25 86B 0 26,-2.7 26,-2.3 -2,-0.4 2,-0.4 -0.885 11.7-155.5-124.5 144.9 0.8 4.9 16.1 61 70 A K E -KL 24 85B 22 -37,-1.9 -37,-2.4 -2,-0.3 2,-0.5 -0.988 5.6-158.3-121.8 133.9 2.1 3.4 12.8 62 71 A V E -KL 23 84B 0 22,-3.0 22,-2.2 -2,-0.4 2,-0.5 -0.951 9.1-167.8-110.0 122.8 4.3 5.3 10.2 63 72 A E E -KL 22 83B 22 -41,-2.7 -41,-2.3 -2,-0.5 2,-0.5 -0.976 3.0-163.8-114.2 119.0 4.3 3.9 6.6 64 73 A I E -KL 21 82B 2 18,-3.1 18,-2.1 -2,-0.5 2,-0.4 -0.905 23.4-125.0-104.8 125.8 6.8 5.1 4.0 65 74 A D E + L 0 81B 52 -45,-2.5 16,-0.2 -2,-0.5 -45,-0.1 -0.582 45.0 151.7 -75.2 119.2 6.0 4.3 0.3 66 75 A T >> + 0 0 11 14,-1.9 3,-0.6 -2,-0.4 4,-0.6 0.434 29.8 112.7-123.7 -2.5 9.0 2.5 -1.4 67 76 A K T 34 S+ 0 0 153 13,-1.2 3,-0.4 1,-0.3 14,-0.1 0.881 98.1 10.7 -47.6 -57.4 7.5 0.3 -4.2 68 77 A S T >4 S+ 0 0 65 1,-0.2 3,-1.5 12,-0.1 4,-0.3 0.266 94.1 105.3-112.8 9.3 9.1 2.1 -7.1 69 78 A Y T <4 S+ 0 0 65 -3,-0.6 3,-0.2 1,-0.2 -1,-0.2 0.813 94.2 36.9 -51.8 -32.2 11.6 4.5 -5.5 70 79 A W T ><>S+ 0 0 4 -4,-0.6 3,-1.6 -3,-0.4 5,-1.2 0.209 81.6 111.0-111.1 16.1 14.4 2.2 -6.7 71 80 A K G X 5S+ 0 0 159 -3,-1.5 3,-1.6 1,-0.3 -1,-0.2 0.858 75.4 58.0 -54.9 -39.0 12.8 1.3 -10.1 72 81 A A G 3 5S+ 0 0 100 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.633 102.4 57.9 -70.1 -13.7 15.6 3.3 -11.9 73 82 A L G < 5S- 0 0 32 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.517 113.2-117.5 -91.1 -13.3 18.0 1.1 -10.2 74 83 A G T < 5S+ 0 0 71 -3,-1.6 2,-0.4 -4,-0.4 -3,-0.2 0.631 74.0 117.2 83.5 13.8 16.7 -2.1 -11.6 75 84 A I < - 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