==== 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 TRANSPORT PROTEIN 22-FEB-06 2G4E . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.PASQUATO,C.FOLLI,R.BERNI,G.ZANOTTI . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11041.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 81.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 40.7 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 . 2 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 . 41 17.7 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 5.6 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 55 0, 0.0 3,-0.1 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 107.9 15.5 30.8 24.6 2 11 A P + 0 0 4 0, 0.0 94,-3.3 0, 0.0 2,-0.4 0.540 360.0 41.4 -84.4 -11.2 13.0 30.3 27.5 3 12 A L E +a 96 0A 0 47,-0.2 46,-0.6 92,-0.2 2,-0.3 -0.889 68.0 166.7-143.4 108.6 15.6 30.1 30.3 4 13 A M E -a 97 0A 33 92,-3.2 94,-3.2 -2,-0.4 2,-0.4 -0.860 18.0-155.3-120.1 156.0 18.6 32.4 30.4 5 14 A V E -aB 98 46A 2 41,-1.7 41,-3.0 -2,-0.3 2,-0.4 -0.997 7.2-173.0-132.6 134.1 21.0 33.1 33.2 6 15 A K E -aB 99 45A 75 92,-2.5 94,-2.5 -2,-0.4 2,-0.4 -0.998 6.6-168.2-129.8 129.8 23.1 36.3 33.6 7 16 A V E -a 100 0A 0 37,-3.2 9,-3.1 -2,-0.4 2,-0.3 -0.962 2.2-167.8-124.7 133.7 25.8 36.6 36.2 8 17 A L E -aC 101 15A 71 92,-2.7 94,-3.0 -2,-0.4 2,-0.7 -0.898 19.5-134.6-119.7 148.0 27.7 39.7 37.4 9 18 A D E >> -aC 102 14A 3 5,-3.4 4,-1.6 -2,-0.3 5,-1.3 -0.895 13.0-167.9-100.9 111.2 30.8 40.1 39.6 10 19 A A T 45S+ 0 0 49 92,-2.7 93,-0.2 -2,-0.7 -1,-0.1 0.512 85.9 56.0 -77.7 -6.0 30.1 42.9 42.2 11 20 A V T 45S+ 0 0 91 91,-0.5 -1,-0.2 3,-0.1 92,-0.1 0.792 119.9 27.8 -91.4 -35.9 33.8 43.0 43.1 12 21 A R T 45S- 0 0 138 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.555 98.7-128.5-103.6 -10.9 35.1 43.6 39.6 13 22 A G T <5S+ 0 0 71 -4,-1.6 -3,-0.2 1,-0.3 3,-0.0 0.955 74.3 97.1 60.5 51.0 32.1 45.4 38.2 14 23 A S E - 0 0 0 -9,-3.1 3,-0.5 28,-0.2 -9,-0.2 -0.834 41.8-154.4 -92.6 103.5 31.0 36.8 35.8 17 26 A I T 3 + 0 0 56 -2,-1.0 24,-0.2 1,-0.2 25,-0.2 -0.514 61.9 9.5 -85.0 146.0 32.7 34.8 33.1 18 27 A N T 3 S+ 0 0 105 22,-1.3 2,-0.6 23,-0.2 -1,-0.2 0.844 77.9 163.0 59.2 37.0 33.0 31.1 32.8 19 28 A V < - 0 0 0 -3,-0.5 21,-1.8 22,-0.2 -1,-0.2 -0.787 34.9-133.3 -90.4 119.4 30.5 30.4 35.6 20 29 A A E -J 39 0B 29 -2,-0.6 45,-2.9 45,-0.4 2,-0.4 -0.497 23.3-168.2 -71.9 136.7 29.2 26.8 35.4 21 30 A V E -JK 38 64B 0 17,-3.5 17,-2.3 43,-0.2 2,-0.4 -0.994 6.3-167.6-131.7 127.4 25.4 26.5 35.8 22 31 A H E -JK 37 63B 72 41,-2.6 41,-3.7 -2,-0.4 2,-0.4 -0.963 5.5-159.6-117.6 130.7 23.5 23.2 36.4 23 32 A V E -JK 36 62B 2 13,-4.4 12,-3.4 -2,-0.4 13,-1.7 -0.902 10.7-176.7-111.1 134.6 19.7 23.0 36.0 24 33 A F E -JK 34 61B 40 37,-2.5 37,-2.7 -2,-0.4 2,-0.4 -0.904 11.9-152.7-127.1 159.6 17.7 20.3 37.6 25 34 A R E -JK 33 60B 71 8,-2.9 8,-1.9 -2,-0.3 35,-0.2 -0.988 27.5-110.5-138.1 125.2 14.1 19.5 37.4 26 35 A K E -J 32 0B 65 33,-2.6 33,-0.3 -2,-0.4 6,-0.2 -0.298 37.5-145.5 -56.3 124.5 12.1 17.6 40.1 27 36 A A > - 0 0 18 4,-3.6 3,-2.0 31,-0.1 -1,-0.1 -0.256 30.6 -92.7 -85.9 175.3 11.1 14.2 39.0 28 37 A A T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.849 127.9 52.8 -56.6 -36.4 7.9 12.2 39.7 29 38 A D T 3 S- 0 0 113 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.107 122.4-105.7 -89.3 24.3 9.7 10.6 42.6 30 39 A D S < S+ 0 0 113 -3,-2.0 2,-0.2 1,-0.2 -2,-0.1 0.646 78.1 138.4 63.3 14.8 10.7 14.0 44.1 31 40 A T - 0 0 73 -6,-0.1 -4,-3.6 1,-0.0 2,-0.8 -0.628 61.9-115.5 -89.0 148.1 14.3 13.4 42.9 32 41 A W E -J 26 0B 67 -2,-0.2 -6,-0.2 -6,-0.2 28,-0.1 -0.780 36.7-164.0 -85.5 113.0 16.3 16.2 41.3 33 42 A E E -J 25 0B 109 -8,-1.9 -8,-2.9 -2,-0.8 2,-0.0 -0.824 27.3-103.1-100.8 136.9 16.9 15.1 37.8 34 43 A P E +J 24 0B 100 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.333 43.8 169.6 -56.9 129.7 19.6 16.7 35.6 35 44 A F E - 0 0 35 -12,-3.4 2,-0.3 1,-0.4 -11,-0.2 0.776 55.4 -36.6-110.4 -48.5 17.9 19.1 33.1 36 45 A A E -J 23 0B 20 -13,-1.7 -13,-4.4 14,-0.0 -1,-0.4 -0.971 50.8-168.9-170.1 162.2 20.6 21.1 31.5 37 46 A S E +J 22 0B 72 -2,-0.3 2,-0.3 -15,-0.3 -15,-0.2 -0.981 15.8 142.7-157.1 161.0 23.9 22.8 32.2 38 47 A G E -J 21 0B 26 -17,-2.3 -17,-3.5 -2,-0.3 2,-0.3 -0.916 38.0-103.4-173.6-165.1 26.3 25.3 30.7 39 48 A K E -J 20 0B 128 -19,-0.3 -19,-0.2 -2,-0.3 8,-0.2 -0.988 34.3-101.2-142.9 149.3 28.6 28.1 31.5 40 49 A T - 0 0 2 -21,-1.8 -22,-1.3 -2,-0.3 6,-0.2 -0.368 35.1-135.8 -71.3 152.2 28.4 31.8 31.1 41 50 A S > - 0 0 57 4,-2.0 3,-2.2 -24,-0.2 -23,-0.2 -0.083 44.2 -70.2 -90.4-167.1 30.3 33.6 28.3 42 51 A E T 3 S+ 0 0 163 1,-0.3 -25,-0.1 -25,-0.2 -2,-0.1 0.687 134.9 54.6 -62.4 -20.5 32.4 36.7 28.3 43 52 A S T 3 S- 0 0 44 2,-0.2 -1,-0.3 -27,-0.1 -27,-0.2 0.388 117.5-113.2 -95.5 5.7 29.2 38.7 28.8 44 53 A G S < S+ 0 0 0 -3,-2.2 -37,-3.2 1,-0.3 2,-0.3 0.637 77.0 128.1 74.0 14.9 28.3 36.7 31.9 45 54 A E E -B 6 0A 59 -39,-0.2 -4,-2.0 -6,-0.1 2,-0.5 -0.802 46.5-158.6-110.0 147.2 25.3 35.3 30.0 46 55 A L E +B 5 0A 12 -41,-3.0 -41,-1.7 -2,-0.3 2,-0.2 -0.948 22.1 165.1-126.9 110.0 24.2 31.7 29.5 47 56 A H + 0 0 97 -2,-0.5 -8,-0.1 -8,-0.2 -43,-0.1 -0.734 51.5 44.1-116.0 165.4 21.8 31.0 26.6 48 57 A G + 0 0 63 -2,-0.2 -1,-0.1 2,-0.2 -44,-0.1 0.639 62.7 134.9 76.1 15.2 20.8 27.8 24.9 49 58 A L S S- 0 0 16 -46,-0.6 2,-0.3 -3,-0.2 -12,-0.2 0.924 76.4 -17.4 -61.0 -44.8 20.2 25.7 28.0 50 59 A T - 0 0 11 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.847 64.9-112.3-149.7-178.3 17.0 24.3 26.8 51 60 A T > - 0 0 79 -2,-0.3 4,-2.7 -50,-0.1 0, 0.0 -0.783 33.3-108.8-119.6 166.2 14.2 24.7 24.2 52 61 A E T 4 S+ 0 0 121 -2,-0.3 -1,-0.1 1,-0.2 42,-0.1 0.905 119.8 53.2 -60.9 -40.4 10.5 25.6 24.6 53 62 A E T 4 S+ 0 0 181 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.904 115.3 37.9 -60.4 -44.7 9.6 22.0 23.8 54 63 A E T 4 S+ 0 0 98 1,-0.2 2,-2.0 2,-0.1 -2,-0.2 0.827 99.2 80.2 -78.3 -33.3 11.9 20.5 26.5 55 64 A F < + 0 0 8 -4,-2.7 -1,-0.2 3,-0.0 3,-0.1 -0.508 68.2 163.4 -78.6 77.3 11.3 23.2 29.1 56 65 A V - 0 0 70 -2,-2.0 32,-0.1 1,-0.2 -2,-0.1 -0.287 47.4 -62.2 -89.7 177.3 7.9 21.8 30.4 57 66 A E S S+ 0 0 123 32,-0.2 2,-0.3 -2,-0.1 -1,-0.2 -0.230 82.3 105.0 -54.2 148.9 6.0 22.6 33.6 58 67 A G E S- L 0 88B 17 30,-1.2 30,-3.3 -3,-0.1 2,-0.6 -0.916 73.9 -75.4 158.3 175.1 7.9 21.6 36.7 59 68 A I E - L 0 87B 37 -33,-0.3 -33,-2.6 -2,-0.3 2,-0.3 -0.925 51.9-165.6-102.7 118.5 9.9 22.7 39.7 60 69 A Y E -KL 25 86B 0 26,-3.3 26,-2.5 -2,-0.6 2,-0.5 -0.752 14.8-155.8-107.2 153.7 13.4 23.7 38.5 61 70 A K E -KL 24 85B 10 -37,-2.7 -37,-2.5 -2,-0.3 2,-0.7 -0.979 5.1-162.8-129.6 117.0 16.6 24.3 40.4 62 71 A V E -KL 23 84B 0 22,-2.8 22,-2.9 -2,-0.5 2,-0.7 -0.896 8.3-163.9-101.1 110.7 19.3 26.5 38.8 63 72 A E E -KL 22 83B 25 -41,-3.7 -41,-2.6 -2,-0.7 2,-0.7 -0.870 2.2-161.6-100.6 114.7 22.6 25.9 40.5 64 73 A I E -KL 21 82B 0 18,-3.0 2,-2.7 -2,-0.7 18,-2.3 -0.863 18.4-136.4 -96.9 113.9 25.2 28.6 39.8 65 74 A D > + 0 0 29 -45,-2.9 4,-1.3 -2,-0.7 -45,-0.4 -0.351 43.0 155.7 -72.2 69.4 28.6 27.3 40.7 66 75 A T H > + 0 0 4 -2,-2.7 4,-2.3 1,-0.2 5,-0.2 0.855 63.8 59.8 -65.3 -40.5 29.8 30.4 42.5 67 76 A K H > S+ 0 0 45 13,-1.5 4,-2.7 -3,-0.2 5,-0.2 0.933 105.4 47.4 -56.4 -49.7 32.5 28.8 44.6 68 77 A S H > S+ 0 0 81 12,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.888 111.6 53.9 -59.5 -38.0 34.5 27.4 41.6 69 78 A Y H < S+ 0 0 16 -4,-1.3 4,-0.5 2,-0.2 -1,-0.2 0.911 112.4 40.7 -62.8 -47.7 34.2 30.9 40.1 70 79 A W H ><>S+ 0 0 9 -4,-2.3 5,-2.4 2,-0.2 3,-1.4 0.926 112.3 54.6 -69.4 -44.6 35.7 32.7 43.0 71 80 A K H ><5S+ 0 0 126 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.902 105.0 54.7 -54.7 -43.2 38.3 30.1 43.8 72 81 A A T 3<5S+ 0 0 88 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.667 108.6 49.4 -65.7 -17.7 39.6 30.4 40.2 73 82 A L T < 5S- 0 0 80 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.255 124.5-100.9-105.3 10.5 40.0 34.1 40.7 74 83 A G T < 5S+ 0 0 73 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.626 79.7 127.1 83.1 14.9 41.9 33.8 44.0 75 84 A A < - 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