==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/SIGNALING PROTEIN 14-AUG-09 2WQA . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.NANAO,D.MERCER,L.NGUYEN,D.BUCKLEY,T.J.STOUT . 821 7 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 317 38.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 3 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 . 88 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 1 0 4 0 0 0 0 0 0 2 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 . 7 12 2 4 8 7 8 1 4 1 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 2 2 0 0 0 0 3 0 1 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 9 A K 0 0 162 0, 0.0 52,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-161.1 64.7 -20.1 3.1 2 10 A C - 0 0 21 1,-0.2 50,-0.1 50,-0.1 3,-0.1 -0.418 360.0-160.5 -67.1 124.3 61.9 -21.8 5.1 3 11 A P S S+ 0 0 11 0, 0.0 94,-3.4 0, 0.0 2,-0.4 0.674 82.6 39.6 -73.7 -17.5 61.8 -25.6 4.9 4 12 A L E +a 97 0A 1 47,-0.2 46,-0.6 92,-0.2 2,-0.4 -0.985 63.9 168.4-138.7 123.8 58.2 -25.5 6.1 5 13 A M E -a 98 0A 27 92,-1.8 94,-2.9 -2,-0.4 2,-0.4 -0.993 15.4-156.4-130.8 142.0 55.4 -23.1 5.3 6 14 A V E -aB 99 47A 0 41,-1.9 41,-1.8 -2,-0.4 2,-0.4 -0.895 8.3-171.0-115.6 147.5 51.7 -23.3 6.0 7 15 A K E -aB 100 46A 64 92,-1.0 94,-3.2 -2,-0.4 2,-0.4 -0.997 1.6-166.4-140.6 134.4 48.9 -21.5 4.1 8 16 A V E -a 101 0A 0 37,-2.9 9,-2.5 -2,-0.4 2,-0.4 -0.983 3.5-174.3-131.7 132.8 45.2 -21.3 4.9 9 17 A L E -aC 102 16A 34 92,-2.2 94,-3.3 -2,-0.4 2,-0.6 -0.950 21.9-133.4-128.5 143.4 42.3 -20.1 2.8 10 18 A D E >> -aC 103 15A 4 5,-3.0 5,-1.0 -2,-0.4 4,-0.7 -0.879 12.3-167.7 -99.3 114.2 38.6 -19.5 3.6 11 19 A A T 45S+ 0 0 2 92,-2.6 452,-2.3 -2,-0.6 453,-0.2 0.585 85.3 52.7 -79.2 -12.7 36.4 -21.1 1.0 12 20 A V T 45S+ 0 0 0 91,-0.3 -1,-0.2 450,-0.2 92,-0.1 0.845 119.5 29.0 -90.8 -37.3 33.3 -19.3 2.4 13 21 A R T 45S- 0 0 60 2,-0.2 557,-0.3 450,-0.1 556,-0.2 0.386 101.0-125.2-104.2 -1.9 34.6 -15.7 2.3 14 22 A G T <5S+ 0 0 0 -4,-0.7 341,-1.5 1,-0.2 -3,-0.2 0.842 72.1 101.2 57.1 40.4 37.0 -16.2 -0.6 15 23 A S E - 0 0 0 -9,-2.5 3,-0.6 27,-0.2 24,-0.1 -0.688 38.1-157.8 -78.3 90.6 42.2 -17.5 6.6 18 26 A I T 3 + 0 0 71 -2,-1.4 24,-0.2 1,-0.2 25,-0.1 -0.323 59.5 10.9 -76.7 149.2 43.9 -15.0 9.0 19 27 A N T 3 S+ 0 0 110 22,-2.4 2,-0.4 23,-0.4 -1,-0.2 0.805 78.0 166.4 51.0 44.5 45.0 -15.9 12.6 20 28 A V < - 0 0 1 -3,-0.6 21,-1.3 22,-0.2 2,-0.5 -0.733 37.4-123.4 -92.7 133.1 44.6 -19.6 12.4 21 29 A A E -J 40 0B 16 -2,-0.4 45,-3.8 45,-0.4 2,-0.4 -0.635 32.9-178.6 -74.2 119.1 46.2 -21.7 15.1 22 30 A V E -JK 39 65B 0 17,-2.6 17,-2.0 -2,-0.5 2,-0.4 -0.991 3.9-173.0-122.2 124.6 48.6 -24.3 13.6 23 31 A H E -JK 38 64B 69 41,-3.2 41,-3.7 -2,-0.4 2,-0.4 -0.951 5.8-157.9-118.8 140.3 50.5 -26.8 15.8 24 32 A V E -JK 37 63B 1 13,-3.1 12,-2.8 -2,-0.4 13,-1.3 -0.941 9.5-177.8-119.3 142.5 53.2 -29.2 14.6 25 33 A F E -JK 35 62B 38 37,-2.1 37,-2.1 -2,-0.4 2,-0.5 -0.951 18.0-144.8-132.7 148.0 54.4 -32.5 16.2 26 34 A R E -JK 34 61B 80 8,-1.9 8,-1.9 -2,-0.3 35,-0.2 -0.984 31.2-116.1-113.9 124.2 57.1 -35.1 15.5 27 35 A K E -J 33 0B 69 33,-1.8 33,-0.3 -2,-0.5 6,-0.2 -0.265 35.4-140.5 -53.7 138.1 56.3 -38.8 16.2 28 36 A A > - 0 0 15 4,-1.6 3,-1.4 31,-0.1 -1,-0.1 -0.341 26.9 -96.6 -97.1 175.7 58.6 -40.1 19.0 29 37 A A T 3 S+ 0 0 109 1,-0.2 -2,-0.1 -2,-0.1 -1,-0.0 0.853 128.1 47.7 -58.1 -33.8 60.4 -43.5 19.4 30 38 A D T 3 S- 0 0 106 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.207 123.7-101.2 -95.3 9.9 57.4 -44.4 21.7 31 39 A D S < S+ 0 0 114 -3,-1.4 2,-0.4 1,-0.3 -2,-0.1 0.749 79.0 133.1 73.4 28.9 54.6 -43.2 19.3 32 40 A T - 0 0 65 -6,-0.1 -4,-1.6 2,-0.0 2,-0.8 -0.881 61.6-119.5-108.9 139.0 53.9 -40.0 21.1 33 41 A W E -J 27 0B 65 -2,-0.4 -6,-0.2 -6,-0.2 28,-0.0 -0.729 27.7-155.3 -76.2 110.3 53.5 -36.6 19.4 34 42 A E E -J 26 0B 79 -8,-1.9 -8,-1.9 -2,-0.8 -2,-0.0 -0.818 28.8-107.5 -84.1 119.4 56.3 -34.4 20.8 35 43 A P E +J 25 0B 114 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.275 50.3 165.4 -41.7 127.2 55.4 -30.7 20.5 36 44 A F E - 0 0 56 -12,-2.8 2,-0.3 1,-0.5 -11,-0.2 0.758 51.4 -6.1-119.1 -61.0 57.6 -29.4 17.7 37 45 A A E -J 24 0B 18 -13,-1.3 -13,-3.1 14,-0.0 -1,-0.5 -0.952 56.5-169.6-144.4 164.7 56.5 -26.0 16.4 38 46 A S E +J 23 0B 85 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.996 17.8 119.6-156.7 142.1 53.6 -23.5 16.9 39 47 A G E -J 22 0B 21 -17,-2.0 -17,-2.6 -2,-0.3 2,-0.4 -0.995 42.3 -96.3 178.2-172.9 52.0 -20.4 15.4 40 48 A K E -J 21 0B 139 -2,-0.3 -19,-0.2 -19,-0.2 2,-0.1 -0.971 40.3-104.3-130.3 143.0 49.2 -18.3 13.8 41 49 A T - 0 0 2 -21,-1.3 -22,-2.4 -2,-0.4 6,-0.2 -0.377 35.3-132.2 -70.7 137.9 48.6 -17.3 10.2 42 50 A S > - 0 0 53 4,-1.0 3,-0.6 -24,-0.2 -23,-0.4 0.245 39.8 -75.1 -70.9-163.1 49.4 -13.8 9.0 43 51 A E T 3 S+ 0 0 166 1,-0.2 -25,-0.1 -25,-0.1 -2,-0.1 0.838 132.6 48.5 -65.9 -38.5 47.3 -11.4 7.0 44 52 A S T 3 S- 0 0 46 2,-0.2 -1,-0.2 -27,-0.1 -27,-0.2 0.496 123.3-101.9 -81.8 -9.9 47.9 -13.3 3.8 45 53 A G S < S+ 0 0 0 -3,-0.6 -37,-2.9 1,-0.2 2,-0.5 0.603 81.7 131.6 99.5 16.8 47.0 -16.6 5.3 46 54 A E E -B 7 0A 51 -39,-0.2 -4,-1.0 -6,-0.1 2,-0.9 -0.909 46.2-163.9-121.5 115.9 50.7 -17.6 5.7 47 55 A L E +B 6 0A 15 -41,-1.8 -41,-1.9 -2,-0.5 3,-0.3 -0.842 26.5 175.4 -90.1 101.4 52.6 -19.0 8.6 48 56 A H + 0 0 72 -2,-0.9 -43,-0.1 -43,-0.2 -41,-0.0 -0.564 53.1 32.5 -94.2 166.9 56.3 -18.5 7.6 49 57 A G + 0 0 54 -2,-0.2 -1,-0.2 -45,-0.1 -44,-0.1 0.580 61.5 146.0 70.1 14.8 59.3 -19.3 9.8 50 58 A L S S- 0 0 20 -46,-0.6 2,-0.2 -3,-0.3 -12,-0.2 0.733 72.1 -16.1 -50.8 -32.5 58.0 -22.3 11.7 51 59 A T - 0 0 12 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.882 69.6-101.4-158.1-173.3 61.5 -24.0 11.8 52 60 A T > - 0 0 69 -2,-0.2 4,-1.6 -50,-0.1 -50,-0.1 -0.874 33.0-106.7-125.3 162.4 65.1 -24.0 10.4 53 61 A E T 4 S+ 0 0 150 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.920 119.2 43.6 -49.0 -50.0 66.9 -26.2 7.8 54 62 A E T 4 S+ 0 0 175 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.871 111.8 48.8 -66.1 -44.0 68.9 -27.8 10.6 55 63 A E T 4 S+ 0 0 121 1,-0.1 2,-0.8 2,-0.1 -1,-0.2 0.687 93.4 82.6 -78.1 -17.9 66.3 -28.4 13.2 56 64 A F < + 0 0 8 -4,-1.6 2,-0.2 -3,-0.4 -1,-0.1 -0.800 67.8 168.2 -93.7 107.2 63.9 -30.0 10.8 57 65 A V - 0 0 70 -2,-0.8 32,-0.2 1,-0.1 34,-0.1 -0.688 42.3 -61.5-124.7 167.5 65.0 -33.6 10.5 58 66 A E S S+ 0 0 99 32,-0.3 2,-0.3 -2,-0.2 32,-0.2 -0.177 83.3 96.0 -52.3 133.5 63.9 -37.0 9.2 59 67 A G E S- L 0 89B 17 30,-1.5 30,-2.2 -3,-0.1 2,-0.4 -0.981 74.8 -72.0 170.4-175.2 60.7 -38.1 10.9 60 68 A I E - L 0 88B 48 -33,-0.3 -33,-1.8 -2,-0.3 2,-0.3 -0.923 48.3-161.6-107.5 134.4 56.9 -38.3 10.7 61 69 A Y E -KL 26 87B 0 26,-3.5 26,-3.0 -2,-0.4 2,-0.5 -0.923 15.8-156.4-125.0 148.2 55.1 -35.0 11.3 62 70 A K E -KL 25 86B 23 -37,-2.1 -37,-2.1 -2,-0.3 2,-0.6 -0.987 6.4-166.2-120.2 112.4 51.6 -33.9 12.2 63 71 A V E -KL 24 85B 0 22,-2.7 22,-2.0 -2,-0.5 2,-0.5 -0.934 13.0-165.9 -95.6 116.1 50.4 -30.4 11.2 64 72 A E E -KL 23 84B 40 -41,-3.7 -41,-3.2 -2,-0.6 2,-0.5 -0.918 3.4-159.4-110.0 122.9 47.3 -29.7 13.2 65 73 A I E -KL 22 83B 0 18,-2.8 18,-2.3 -2,-0.5 2,-2.2 -0.892 17.6-136.4-109.3 125.9 45.1 -26.8 12.1 66 74 A D > + 0 0 43 -45,-3.8 4,-1.5 -2,-0.5 -45,-0.4 -0.408 43.7 152.7 -78.5 65.6 42.6 -25.3 14.5 67 75 A T H > + 0 0 5 -2,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.892 67.6 59.3 -60.4 -42.0 39.8 -25.0 12.0 68 76 A K H > S+ 0 0 52 13,-0.4 4,-2.3 -3,-0.3 5,-0.3 0.897 102.9 50.4 -59.4 -46.6 37.2 -25.2 14.8 69 77 A S H > S+ 0 0 64 12,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 111.3 51.0 -52.8 -45.7 38.5 -22.1 16.6 70 78 A Y H < S+ 0 0 18 -4,-1.5 4,-0.3 1,-0.2 -2,-0.2 0.956 112.6 43.5 -58.3 -56.5 38.4 -20.1 13.3 71 79 A W H ><>S+ 0 0 2 -4,-2.3 5,-3.0 1,-0.2 3,-0.7 0.840 115.4 47.2 -59.3 -43.2 34.8 -21.1 12.5 72 80 A K H ><5S+ 0 0 125 -4,-2.3 3,-2.7 3,-0.2 -1,-0.2 0.925 104.0 60.7 -66.6 -43.8 33.3 -20.5 16.0 73 81 A A T 3<5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.597 110.3 44.8 -60.9 -6.6 35.1 -17.2 16.3 74 82 A L T < 5S- 0 0 52 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.338 123.3-106.3-112.7 -2.3 33.0 -16.3 13.2 75 83 A G T < 5S+ 0 0 49 -3,-2.7 2,-0.4 1,-0.3 -3,-0.2 0.581 78.6 123.1 85.0 11.1 29.8 -17.8 14.6 76 84 A I < - 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