==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 11-AUG-09 3IMR . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.CONNELLY,I.A.WILSON . 229 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 40.2 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 . 25 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.1 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 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 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 6 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 11 A P 0 0 33 0, 0.0 94,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -6.0 8.1 -12.1 3.7 2 12 A L E +a 95 0A 4 47,-0.2 46,-0.6 92,-0.2 2,-0.3 -0.932 360.0 167.8-140.5 118.8 5.5 -12.5 0.9 3 13 A M E -a 96 0A 51 92,-2.5 94,-2.8 -2,-0.4 2,-0.4 -0.944 17.4-155.8-130.0 149.3 2.5 -10.2 0.6 4 14 A V E -aB 97 45A 2 41,-2.0 41,-2.6 -2,-0.3 2,-0.4 -0.982 7.8-172.6-127.8 133.2 0.0 -9.7 -2.2 5 15 A K E -aB 98 44A 77 92,-2.6 94,-2.3 -2,-0.4 2,-0.4 -0.995 3.1-170.2-127.2 133.1 -2.1 -6.6 -2.8 6 16 A V E -a 99 0A 0 37,-2.4 9,-2.6 -2,-0.4 2,-0.3 -0.997 1.5-172.7-129.9 129.9 -4.8 -6.3 -5.4 7 17 A L E -aC 100 14A 73 92,-2.6 94,-2.7 -2,-0.4 2,-0.6 -0.877 20.1-133.1-118.8 153.6 -6.7 -3.1 -6.6 8 18 A D E >> -aC 101 13A 2 5,-3.3 5,-1.4 -2,-0.3 4,-1.4 -0.936 10.3-166.4-110.8 115.7 -9.7 -2.7 -8.9 9 19 A A T 45S+ 0 0 49 92,-2.8 93,-0.1 -2,-0.6 -1,-0.1 0.447 86.1 55.3 -77.5 -13.2 -9.3 0.0 -11.5 10 20 A V T 45S+ 0 0 87 91,-0.4 -1,-0.2 3,-0.1 92,-0.1 0.820 120.1 27.7 -84.2 -45.0 -13.0 0.1 -12.4 11 21 A R T 45S- 0 0 162 2,-0.2 -2,-0.2 3,-0.0 -1,-0.0 0.592 98.5-127.7 -89.3 -22.9 -14.3 0.7 -8.9 12 22 A G T <5S+ 0 0 74 -4,-1.4 -3,-0.2 1,-0.3 -5,-0.0 0.956 73.2 106.0 67.0 49.1 -11.3 2.6 -7.5 13 23 A S E - 0 0 23 4,-3.4 3,-2.2 -2,-0.3 -1,-0.1 -0.382 28.2 -94.3 -91.3 175.1 10.1 -28.5 -7.6 27 37 A A T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.829 125.4 53.8 -57.5 -38.5 13.1 -30.6 -8.3 28 38 A D T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.170 120.6-107.8 -81.2 13.4 11.3 -32.4 -11.1 29 39 A D S < S+ 0 0 113 -3,-2.2 2,-0.2 1,-0.2 -2,-0.1 0.488 80.4 124.7 69.8 11.6 10.4 -29.1 -12.7 30 40 A T - 0 0 71 1,-0.0 -4,-3.4 -6,-0.0 2,-0.7 -0.563 68.1-105.3 -94.5 159.2 6.7 -29.3 -11.8 31 41 A W E -J 25 0B 81 -6,-0.2 -6,-0.2 -2,-0.2 28,-0.1 -0.779 34.7-160.8 -88.0 116.5 4.8 -26.6 -9.8 32 42 A E E -J 24 0B 96 -8,-2.7 -8,-2.7 -2,-0.7 0, 0.0 -0.794 26.2-105.7 -94.1 135.7 4.2 -27.6 -6.3 33 43 A P E +J 23 0B 105 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.331 44.0 166.9 -58.3 137.7 1.5 -25.9 -4.2 34 44 A F E - 0 0 46 -12,-2.9 2,-0.3 1,-0.5 -11,-0.2 0.696 54.1 -24.8-121.7 -46.6 3.0 -23.6 -1.7 35 45 A A E -J 22 0B 18 -13,-1.8 -13,-3.4 14,-0.0 -1,-0.5 -0.974 53.1-173.6-164.4 159.7 0.5 -21.3 -0.1 36 46 A S E +J 21 0B 77 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.984 14.2 137.8-154.5 164.1 -2.9 -19.8 -0.8 37 47 A G E -J 20 0B 26 -17,-2.2 -17,-2.7 -2,-0.3 2,-0.4 -0.968 40.8 -93.8-177.6-168.9 -5.5 -17.4 0.5 38 48 A K E -J 19 0B 132 -2,-0.3 -19,-0.2 -19,-0.2 6,-0.1 -0.983 38.5-105.6-128.9 143.4 -7.9 -14.6 -0.2 39 49 A T - 0 0 2 -21,-2.1 -22,-2.0 -2,-0.4 6,-0.2 -0.338 36.4-129.7 -69.9 147.7 -7.4 -10.9 -0.1 40 50 A S > - 0 0 49 4,-2.5 3,-2.1 -24,-0.2 -22,-0.2 -0.088 39.4 -77.9 -79.3-176.5 -9.0 -8.9 2.8 41 51 A E T 3 S+ 0 0 139 1,-0.3 -25,-0.1 -25,-0.1 -2,-0.1 0.711 133.9 53.9 -59.4 -21.8 -11.2 -5.9 2.8 42 52 A S T 3 S- 0 0 55 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.1 0.368 120.1-109.7 -91.4 2.1 -8.0 -3.8 2.2 43 53 A G S < S+ 0 0 0 -3,-2.1 -37,-2.4 1,-0.3 2,-0.3 0.551 79.7 127.7 80.3 11.2 -7.1 -5.9 -0.9 44 54 A E E -B 5 0A 52 -39,-0.2 -4,-2.5 -6,-0.1 2,-0.5 -0.734 45.4-163.2-105.0 146.5 -4.2 -7.4 1.0 45 55 A L E +B 4 0A 14 -41,-2.6 -41,-2.0 -2,-0.3 2,-0.2 -0.958 21.5 166.8-129.6 110.1 -3.2 -11.0 1.6 46 56 A H + 0 0 104 -2,-0.5 -43,-0.1 -43,-0.2 -2,-0.0 -0.672 50.3 47.5-110.7 166.1 -0.7 -11.5 4.5 47 57 A G + 0 0 74 -2,-0.2 -1,-0.1 -45,-0.1 -44,-0.1 0.687 61.2 134.4 79.6 17.7 0.4 -14.6 6.3 48 58 A L S S- 0 0 20 -46,-0.6 2,-0.2 -3,-0.2 -12,-0.2 0.882 74.9 -13.6 -62.5 -39.6 1.1 -16.8 3.2 49 59 A T - 0 0 17 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.839 62.8-114.5-154.8-179.3 4.4 -18.1 4.5 50 60 A T > - 0 0 73 -2,-0.2 4,-1.8 -49,-0.1 3,-0.1 -0.843 34.8-109.2-125.4 161.8 7.2 -17.7 7.0 51 61 A E T 4 S+ 0 0 108 -2,-0.3 -1,-0.1 1,-0.2 42,-0.1 0.878 118.9 55.7 -62.7 -32.2 10.8 -16.8 6.5 52 62 A E T 4 S+ 0 0 180 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.912 113.5 38.0 -61.7 -46.6 11.7 -20.4 7.4 53 63 A E T 4 S+ 0 0 133 1,-0.2 2,-1.8 -3,-0.1 -1,-0.2 0.717 96.8 82.6 -77.9 -25.2 9.6 -21.9 4.7 54 64 A F < + 0 0 9 -4,-1.8 -1,-0.2 3,-0.0 3,-0.1 -0.554 66.1 163.9 -88.9 74.5 10.2 -19.3 2.0 55 65 A V - 0 0 70 -2,-1.8 32,-0.1 1,-0.2 34,-0.1 -0.179 47.7 -63.0 -81.6 173.3 13.4 -20.7 0.7 56 66 A E S S+ 0 0 121 32,-0.2 2,-0.3 30,-0.1 -1,-0.2 -0.307 82.8 103.8 -48.5 141.0 15.2 -20.0 -2.5 57 67 A G E S- L 0 87B 14 30,-1.6 30,-3.0 -3,-0.1 2,-0.5 -0.955 72.6 -73.1 166.8-176.9 13.3 -21.0 -5.5 58 68 A I E - L 0 86B 37 -33,-0.3 -33,-3.0 -2,-0.3 2,-0.3 -0.930 50.2-168.2-105.0 124.6 11.1 -20.0 -8.5 59 69 A Y E -KL 24 85B 0 26,-3.0 26,-2.2 -2,-0.5 2,-0.4 -0.849 14.7-155.5-117.9 149.3 7.6 -19.1 -7.3 60 70 A K E -KL 23 84B 25 -37,-2.5 -37,-2.5 -2,-0.3 2,-0.6 -0.995 4.5-162.3-124.5 123.7 4.4 -18.5 -9.2 61 71 A V E -KL 22 83B 0 22,-2.9 22,-2.1 -2,-0.4 2,-0.6 -0.953 10.2-165.6-105.8 113.1 1.7 -16.2 -7.8 62 72 A E E -KL 21 82B 28 -41,-3.4 -41,-2.5 -2,-0.6 2,-0.5 -0.929 2.3-162.4-105.0 122.4 -1.6 -16.9 -9.5 63 73 A I E -KL 20 81B 0 18,-3.1 2,-2.2 -2,-0.6 18,-2.2 -0.910 18.4-135.5-108.5 122.6 -4.3 -14.3 -8.9 64 74 A D > + 0 0 28 -45,-3.1 4,-1.4 -2,-0.5 -45,-0.4 -0.432 42.2 155.8 -84.1 73.7 -7.8 -15.6 -9.8 65 75 A T H > + 0 0 4 -2,-2.2 4,-2.4 1,-0.2 5,-0.3 0.844 65.7 60.0 -68.7 -34.7 -9.0 -12.5 -11.6 66 76 A K H > S+ 0 0 57 13,-1.0 4,-2.8 -3,-0.3 5,-0.2 0.950 106.0 47.8 -63.0 -43.9 -11.7 -14.3 -13.7 67 77 A S H > S+ 0 0 88 12,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.876 111.7 52.9 -63.1 -40.0 -13.6 -15.4 -10.6 68 78 A Y H X S+ 0 0 22 -4,-1.4 4,-0.6 2,-0.2 -1,-0.2 0.944 113.7 39.3 -56.4 -54.1 -13.3 -11.9 -9.2 69 79 A W H ><>S+ 0 0 5 -4,-2.4 5,-1.9 1,-0.2 3,-1.0 0.870 111.4 56.9 -71.7 -37.3 -14.8 -10.2 -12.3 70 80 A K H ><5S+ 0 0 111 -4,-2.8 3,-2.2 -5,-0.3 -1,-0.2 0.924 100.9 58.8 -60.9 -42.7 -17.4 -12.9 -12.9 71 81 A A H 3<5S+ 0 0 85 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.694 108.5 46.6 -57.8 -21.0 -18.8 -12.3 -9.3 72 82 A L T <<5S- 0 0 68 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.200 123.5-101.4-102.0 9.0 -19.4 -8.6 -10.4 73 83 A G T < 5S+ 0 0 71 -3,-2.2 2,-0.5 1,-0.3 -3,-0.2 0.611 82.8 124.4 83.1 14.2 -21.1 -9.4 -13.9 74 84 A I < - 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