==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 24-APR-08 3CXF . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.CENDRON,G.ZANOTTI,C.FOLLI,B.ALFIERI,N.PASQUATO,R.BERNI . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 81.0 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 . 90 39.0 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 . 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 . 1 5 0 0 3 0 4 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 2 0 0 0 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 0.000 360.0 360.0 360.0 101.5 15.7 31.3 26.0 2 11 A P + 0 0 8 0, 0.0 94,-3.2 0, 0.0 2,-0.4 0.708 360.0 40.0 -70.9 -23.2 13.3 30.4 28.9 3 12 A L E +a 96 0A 0 47,-0.2 46,-0.6 92,-0.2 2,-0.3 -0.938 67.6 165.7-134.9 115.2 15.9 30.2 31.7 4 13 A M E -a 97 0A 25 92,-2.8 94,-3.0 -2,-0.4 2,-0.4 -0.928 17.3-156.9-128.3 149.4 18.9 32.6 31.9 5 14 A V E -aB 98 46A 0 41,-1.5 41,-2.1 -2,-0.3 2,-0.4 -0.993 6.5-172.4-130.0 131.7 21.4 33.2 34.7 6 15 A K E -aB 99 45A 62 92,-2.8 94,-1.9 -2,-0.4 2,-0.4 -0.987 3.7-169.0-126.8 133.3 23.4 36.4 35.3 7 16 A V E -a 100 0A 0 37,-2.5 9,-2.6 -2,-0.4 2,-0.3 -0.979 1.1-170.3-127.2 132.0 26.2 36.8 37.9 8 17 A L E -aC 101 15A 68 92,-2.6 94,-3.0 -2,-0.4 2,-0.7 -0.889 22.7-129.2-119.4 150.7 28.0 40.0 39.0 9 18 A D E >> -aC 102 14A 1 5,-3.6 4,-2.4 -2,-0.3 5,-1.3 -0.882 16.4-168.2 -99.6 110.5 31.0 40.5 41.2 10 19 A A T 45S+ 0 0 45 92,-2.6 93,-0.2 -2,-0.7 -1,-0.1 0.683 85.2 52.5 -71.1 -22.1 30.2 43.1 43.9 11 20 A V T 45S+ 0 0 92 91,-0.6 -1,-0.2 1,-0.1 92,-0.1 0.936 121.7 28.6 -77.3 -50.0 33.8 43.5 45.0 12 21 A R T 45S- 0 0 128 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.722 98.9-129.3 -84.4 -25.4 35.2 44.2 41.5 13 22 A G T <5S+ 0 0 69 -4,-2.4 -3,-0.2 1,-0.3 -5,-0.0 0.965 71.4 101.1 71.4 52.9 32.1 45.8 40.0 14 23 A S E - 0 0 12 4,-2.8 3,-2.5 -2,-0.4 4,-0.1 -0.285 29.7 -95.5 -75.6 164.1 11.8 14.2 40.5 28 37 A A T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.283 126.9 54.0 -64.5 15.6 8.5 12.5 41.2 29 38 A D T 3 S- 0 0 98 2,-0.3 -1,-0.3 0, 0.0 3,-0.1 0.125 119.3-105.9-133.4 14.8 10.3 10.9 44.2 30 39 A D S < S+ 0 0 120 -3,-2.5 2,-0.3 1,-0.2 -2,-0.1 0.627 80.6 121.2 67.6 18.7 11.5 14.2 45.8 31 40 A T S S- 0 0 73 -6,-0.1 -4,-2.8 -4,-0.1 2,-0.7 -0.813 70.3-104.3-108.6 153.2 15.2 13.8 44.8 32 41 A W E -J 26 0B 72 -2,-0.3 -6,-0.2 -6,-0.2 28,-0.1 -0.685 35.9-163.8 -83.6 116.4 17.1 16.4 42.7 33 42 A E E -J 25 0B 116 -8,-2.6 -8,-2.5 -2,-0.7 -1,-0.0 -0.829 28.1-104.0-101.8 130.2 17.6 15.2 39.1 34 43 A P E +J 24 0B 103 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.214 43.4 166.0 -52.2 134.3 20.1 16.9 36.7 35 44 A F E - 0 0 38 -12,-2.6 2,-0.3 1,-0.4 -11,-0.2 0.686 57.8 -33.6-119.6 -40.4 18.4 19.2 34.2 36 45 A A E -J 23 0B 23 -13,-1.3 -13,-3.2 14,-0.0 -1,-0.4 -0.947 50.9-164.7-177.2 160.8 21.2 21.3 32.6 37 46 A S E +J 22 0B 77 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.981 15.9 143.1-154.8 162.9 24.5 23.0 33.3 38 47 A G E -J 21 0B 24 -17,-2.0 -17,-3.5 -2,-0.3 2,-0.3 -0.967 37.9-100.8-178.0-173.4 26.9 25.6 32.0 39 48 A K E -J 20 0B 129 -2,-0.3 -19,-0.2 -19,-0.3 2,-0.1 -0.962 37.1-104.4-131.4 148.2 29.3 28.4 32.8 40 49 A T - 0 0 3 -21,-1.5 -22,-1.8 -2,-0.3 6,-0.2 -0.434 36.3-136.2 -70.6 146.2 28.9 32.2 32.7 41 50 A S > - 0 0 55 4,-2.6 3,-2.1 -24,-0.2 -22,-0.2 -0.136 40.4 -74.6 -88.4-168.5 30.5 34.0 29.7 42 51 A E T 3 S+ 0 0 165 1,-0.3 -25,-0.1 2,-0.2 -2,-0.1 0.704 133.8 55.8 -61.9 -24.0 32.6 37.2 29.7 43 52 A S T 3 S- 0 0 54 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.2 0.379 118.9-114.4 -89.1 4.2 29.4 39.2 30.1 44 53 A G S < S+ 0 0 0 -3,-2.1 -37,-2.5 1,-0.3 2,-0.3 0.610 78.1 124.5 73.8 12.0 28.7 37.2 33.2 45 54 A E E -B 6 0A 51 -39,-0.2 -4,-2.6 -30,-0.1 2,-0.5 -0.778 49.5-154.6-109.1 152.3 25.6 35.7 31.5 46 55 A L E +B 5 0A 14 -41,-2.1 -41,-1.5 -2,-0.3 3,-0.2 -0.965 21.0 174.9-127.6 112.8 24.6 32.1 30.8 47 56 A H + 0 0 103 -2,-0.5 -43,-0.1 -43,-0.2 -2,-0.0 -0.671 53.0 35.4-112.4 166.2 22.3 31.4 27.8 48 57 A G + 0 0 63 -2,-0.2 -1,-0.2 2,-0.1 -44,-0.1 0.737 62.0 141.3 64.8 26.6 21.0 28.3 26.2 49 58 A L S S- 0 0 15 -46,-0.6 2,-0.2 -3,-0.2 -12,-0.2 0.876 74.3 -17.5 -65.1 -37.9 20.6 26.2 29.3 50 59 A T - 0 0 11 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.861 66.4-110.2-152.8-174.2 17.3 24.7 28.1 51 60 A T > - 0 0 74 -2,-0.2 4,-2.4 -50,-0.1 3,-0.1 -0.859 29.4-112.0-126.7 163.2 14.5 25.0 25.7 52 61 A E T 4 S+ 0 0 136 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.871 118.2 53.0 -59.6 -38.2 10.8 25.8 25.9 53 62 A E T 4 S+ 0 0 188 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.886 117.4 35.9 -65.8 -39.9 9.9 22.3 24.9 54 63 A E T 4 S+ 0 0 94 1,-0.2 2,-1.7 -3,-0.1 -2,-0.2 0.711 97.0 83.5 -88.3 -21.8 12.1 20.7 27.6 55 64 A F < + 0 0 8 -4,-2.4 -1,-0.2 3,-0.0 3,-0.1 -0.550 66.2 164.4 -85.4 75.9 11.5 23.3 30.4 56 65 A V - 0 0 72 -2,-1.7 32,-0.1 1,-0.2 34,-0.1 -0.144 45.1 -62.1 -85.3-178.2 8.3 21.9 31.8 57 66 A E S S+ 0 0 116 32,-0.2 2,-0.3 30,-0.1 -1,-0.2 -0.270 80.7 101.3 -60.9 150.7 6.4 22.6 35.0 58 67 A G E S- L 0 88B 16 30,-1.2 30,-2.7 -3,-0.1 2,-0.6 -0.918 73.7 -71.1 156.8 177.4 8.3 21.6 38.2 59 68 A I E - L 0 87B 48 -33,-0.3 -33,-2.8 -2,-0.3 2,-0.3 -0.910 53.1-163.3-101.6 124.9 10.3 22.7 41.1 60 69 A Y E -KL 25 86B 0 26,-3.1 26,-2.2 -2,-0.6 2,-0.5 -0.839 15.5-155.0-115.1 151.1 13.8 23.7 40.0 61 70 A K E -KL 24 85B 16 -37,-3.0 -37,-2.7 -2,-0.3 2,-0.7 -0.978 4.5-163.9-124.1 120.4 17.1 24.3 41.7 62 71 A V E -KL 23 84B 0 22,-3.5 22,-2.7 -2,-0.5 2,-0.7 -0.902 9.6-165.5-106.0 111.2 19.7 26.6 40.3 63 72 A E E -KL 22 83B 34 -41,-3.9 -41,-2.9 -2,-0.7 2,-0.6 -0.858 2.9-166.9-102.4 113.4 23.0 25.9 41.9 64 73 A I E -KL 21 82B 0 18,-2.9 2,-2.4 -2,-0.7 18,-2.1 -0.888 20.2-136.9-101.5 117.8 25.7 28.6 41.3 65 74 A D > + 0 0 27 -45,-2.8 4,-1.3 -2,-0.6 -45,-0.4 -0.413 40.1 158.1 -78.6 72.9 29.1 27.5 42.3 66 75 A T H > + 0 0 5 -2,-2.4 4,-2.3 1,-0.2 5,-0.2 0.863 66.2 60.6 -61.9 -41.1 30.2 30.6 44.1 67 76 A K H > S+ 0 0 65 13,-0.9 4,-2.9 -3,-0.3 5,-0.3 0.939 103.5 48.5 -56.5 -51.0 32.9 28.9 46.1 68 77 A S H > S+ 0 0 80 12,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.879 110.6 54.9 -56.7 -36.6 34.9 27.7 43.1 69 78 A Y H < S+ 0 0 24 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.944 112.6 39.4 -61.6 -51.6 34.7 31.2 41.7 70 79 A W H ><>S+ 0 0 6 -4,-2.3 5,-2.4 1,-0.2 3,-1.4 0.880 115.7 50.6 -68.0 -40.6 36.2 32.9 44.8 71 80 A K H ><5S+ 0 0 133 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.870 100.1 66.2 -65.2 -34.1 38.8 30.2 45.4 72 81 A A T 3<5S+ 0 0 87 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.575 106.8 43.0 -63.1 -8.8 39.8 30.6 41.7 73 82 A L T < 5S- 0 0 90 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 -0.115 126.1 -92.0-131.4 38.8 41.0 34.0 42.6 74 83 A G T < 5S+ 0 0 81 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.635 85.4 126.6 64.2 19.7 42.8 33.5 45.9 75 84 A I < - 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