==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE BINDING PROTEIN/INHIBITOR 11-OCT-12 4HIQ . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.CONNELLY,M.ALHAMADSHEH,I.GRAEF,I.A.WILSON . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 73.6 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 . 89 38.5 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 . 23 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.6 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 . 1 5 0 0 3 0 4 1 1 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 75 0, 0.0 3,-0.2 0, 0.0 95,-0.2 0.000 360.0 360.0 360.0 137.7 5.8 -10.1 5.9 2 11 A P + 0 0 35 0, 0.0 94,-2.7 0, 0.0 2,-0.4 0.910 360.0 12.4 -59.4 -36.6 8.1 -12.4 3.8 3 12 A L E S+a 96 0A 2 47,-0.2 46,-0.6 92,-0.2 2,-0.3 -0.977 73.4 169.8-144.8 123.1 5.5 -12.4 1.1 4 13 A M E -a 97 0A 24 92,-2.3 94,-2.7 -2,-0.4 2,-0.4 -0.982 15.1-157.1-133.1 143.6 2.5 -10.1 0.9 5 14 A V E -aB 98 46A 0 41,-1.9 41,-2.4 -2,-0.3 2,-0.4 -0.982 7.4-172.6-123.7 132.8 0.1 -9.6 -2.0 6 15 A K E -aB 99 45A 68 92,-2.4 94,-2.3 -2,-0.4 2,-0.4 -0.998 3.7-169.4-126.8 132.0 -2.0 -6.5 -2.5 7 16 A V E -a 100 0A 0 37,-2.4 9,-2.7 -2,-0.4 2,-0.3 -0.984 1.1-170.1-129.6 132.9 -4.7 -6.2 -5.2 8 17 A L E -aC 101 15A 73 92,-2.6 94,-2.7 -2,-0.4 2,-0.5 -0.875 18.8-132.2-120.8 153.2 -6.6 -3.1 -6.3 9 18 A D E >> -aC 102 14A 3 5,-3.1 4,-1.4 -2,-0.3 5,-1.4 -0.925 10.2-167.5-111.9 116.5 -9.7 -2.7 -8.6 10 19 A A T 45S+ 0 0 51 92,-2.8 93,-0.2 -2,-0.5 -1,-0.1 0.544 86.7 54.6 -79.8 -12.2 -9.4 0.0 -11.3 11 20 A V T 45S+ 0 0 85 91,-0.5 -1,-0.2 3,-0.1 92,-0.1 0.802 119.8 28.7 -88.9 -37.7 -13.1 -0.0 -12.1 12 21 A R T 45S- 0 0 150 2,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.596 98.7-126.2 -99.8 -13.2 -14.4 0.6 -8.6 13 22 A G T <5S+ 0 0 75 -4,-1.4 -3,-0.2 1,-0.3 3,-0.0 0.956 75.0 100.5 65.7 48.4 -11.4 2.6 -7.2 14 23 A S E - 0 0 0 -9,-2.7 3,-0.5 28,-0.1 2,-0.3 -0.868 40.7-159.4 -93.3 107.1 -10.0 -5.9 -4.7 17 26 A I T 3 + 0 0 72 -2,-0.8 24,-0.2 1,-0.2 25,-0.1 -0.630 61.2 15.9 -94.8 147.1 -11.5 -7.9 -1.9 18 27 A N T 3 S+ 0 0 109 22,-1.9 2,-0.6 -2,-0.3 -1,-0.2 0.825 77.6 159.8 66.8 31.4 -11.9 -11.7 -1.7 19 28 A V < - 0 0 0 -3,-0.5 21,-2.1 22,-0.2 2,-0.2 -0.778 37.0-132.5 -85.7 125.5 -9.4 -12.3 -4.5 20 29 A A E -J 39 0B 20 -2,-0.6 45,-3.0 45,-0.4 2,-0.4 -0.558 23.7-169.7 -78.6 139.0 -8.0 -15.9 -4.4 21 30 A V E -JK 38 64B 0 17,-2.7 17,-2.1 -2,-0.2 2,-0.5 -0.999 6.8-169.0-133.6 127.0 -4.3 -16.2 -4.7 22 31 A H E -JK 37 63B 72 41,-2.6 41,-3.1 -2,-0.4 2,-0.4 -0.980 6.4-159.1-118.4 129.7 -2.3 -19.4 -5.2 23 32 A V E -JK 36 62B 1 13,-3.5 12,-3.0 -2,-0.5 13,-1.7 -0.911 10.4-173.7-108.7 136.6 1.5 -19.5 -4.9 24 33 A F E -JK 34 61B 35 37,-2.7 37,-2.6 -2,-0.4 2,-0.4 -0.877 11.0-152.0-123.0 155.3 3.5 -22.3 -6.5 25 34 A R E -JK 33 60B 63 8,-2.4 8,-2.4 -2,-0.3 2,-0.3 -0.997 26.4-113.9-129.6 134.7 7.2 -23.2 -6.3 26 35 A K E -J 32 0B 55 33,-2.9 33,-0.3 -2,-0.4 6,-0.2 -0.468 34.8-145.7 -71.2 126.7 9.1 -24.9 -9.0 27 36 A A > - 0 0 22 4,-3.0 3,-2.2 -2,-0.3 -1,-0.1 -0.353 30.3 -95.9 -85.8 171.4 10.3 -28.4 -7.8 28 37 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.701 126.0 55.7 -58.8 -27.5 13.5 -30.2 -8.7 29 38 A D T 3 S- 0 0 109 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.227 120.1-109.0 -91.5 10.9 11.6 -32.1 -11.4 30 39 A D S < S+ 0 0 122 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.462 77.9 127.0 75.9 7.3 10.4 -28.8 -13.0 31 40 A T - 0 0 76 1,-0.0 -4,-3.0 -6,-0.0 2,-0.8 -0.536 67.2-108.4 -88.7 162.3 6.8 -29.1 -12.0 32 41 A W E -J 26 0B 72 -6,-0.2 -6,-0.2 -2,-0.2 28,-0.0 -0.795 34.5-160.5 -94.7 108.8 4.9 -26.4 -10.1 33 42 A E E -J 25 0B 104 -8,-2.4 -8,-2.4 -2,-0.8 2,-0.1 -0.699 27.4-106.8 -89.7 135.9 4.3 -27.5 -6.5 34 43 A P E +J 24 0B 101 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.398 43.9 170.1 -61.1 130.5 1.5 -25.9 -4.5 35 44 A F E - 0 0 39 -12,-3.0 2,-0.3 1,-0.4 -11,-0.2 0.736 54.6 -28.1-112.6 -46.8 3.3 -23.7 -1.9 36 45 A A E -J 23 0B 21 -13,-1.7 -13,-3.5 14,-0.0 -1,-0.4 -0.968 53.0-169.9-164.1 161.2 0.6 -21.5 -0.2 37 46 A S E +J 22 0B 75 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.981 15.0 141.9-153.7 165.7 -2.7 -19.9 -0.9 38 47 A G E -J 21 0B 25 -17,-2.1 -17,-2.7 -2,-0.3 2,-0.3 -0.959 38.5 -98.2-179.3-170.7 -5.2 -17.4 0.6 39 48 A K E -J 20 0B 135 -2,-0.3 -19,-0.2 -19,-0.2 8,-0.2 -0.985 36.0-105.1-131.0 145.4 -7.7 -14.6 -0.2 40 49 A T - 0 0 2 -21,-2.1 -22,-1.9 -2,-0.3 6,-0.2 -0.395 36.6-132.8 -70.9 145.2 -7.4 -10.8 -0.0 41 50 A S > - 0 0 52 4,-2.5 3,-2.2 -24,-0.2 -23,-0.2 -0.067 39.4 -76.8 -79.6-174.0 -9.0 -9.1 2.9 42 51 A E T 3 S+ 0 0 169 1,-0.3 -25,-0.1 -25,-0.1 -2,-0.1 0.751 134.1 53.6 -57.3 -26.6 -11.3 -6.0 3.0 43 52 A S T 3 S- 0 0 51 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.1 0.396 119.7-110.2 -91.1 3.4 -8.1 -3.9 2.4 44 53 A G S < S+ 0 0 0 -3,-2.2 -37,-2.4 1,-0.3 2,-0.3 0.530 79.4 126.0 79.2 8.1 -7.1 -5.9 -0.7 45 54 A E E -B 6 0A 48 -39,-0.2 -4,-2.5 -6,-0.1 2,-0.5 -0.739 46.0-160.9-107.8 149.0 -4.1 -7.4 1.3 46 55 A L E +B 5 0A 14 -41,-2.4 -41,-1.9 -2,-0.3 2,-0.2 -0.968 20.8 168.6-131.8 111.7 -3.1 -11.0 1.8 47 56 A H + 0 0 91 -2,-0.5 -8,-0.1 -8,-0.2 -43,-0.1 -0.656 50.6 46.8-110.2 166.6 -0.8 -11.6 4.7 48 57 A G + 0 0 71 -2,-0.2 -1,-0.1 -45,-0.2 -44,-0.1 0.611 61.6 132.5 78.2 15.1 0.3 -14.9 6.3 49 58 A L S S- 0 0 20 -46,-0.6 2,-0.2 -3,-0.2 -12,-0.2 0.875 74.4 -12.6 -65.9 -40.2 1.1 -16.9 3.2 50 59 A T - 0 0 16 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.819 61.2-116.7-150.0-174.0 4.5 -18.2 4.4 51 60 A T > - 0 0 69 -2,-0.2 4,-2.3 -49,-0.1 -2,-0.0 -0.874 33.7-109.3-128.3 161.7 7.3 -17.9 6.9 52 61 A E T 4 S+ 0 0 125 -2,-0.3 -1,-0.1 1,-0.2 42,-0.0 0.862 120.1 51.7 -64.3 -30.9 11.0 -17.0 6.6 53 62 A E T 4 S+ 0 0 178 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.933 115.8 38.9 -66.0 -45.4 11.9 -20.6 7.3 54 63 A E T 4 S+ 0 0 117 1,-0.2 2,-1.9 2,-0.1 -2,-0.2 0.756 98.4 79.2 -76.5 -29.5 9.6 -22.0 4.7 55 64 A F < + 0 0 8 -4,-2.3 -1,-0.2 3,-0.0 3,-0.1 -0.511 68.8 162.9 -86.3 73.3 10.2 -19.3 2.0 56 65 A V - 0 0 71 -2,-1.9 32,-0.1 1,-0.2 34,-0.1 -0.153 48.3 -63.4 -80.0 174.3 13.5 -20.7 0.8 57 66 A E S S+ 0 0 119 32,-0.2 2,-0.3 30,-0.1 -1,-0.2 -0.348 82.3 105.4 -49.8 142.4 15.3 -19.9 -2.5 58 67 A G E S- L 0 88B 15 30,-1.4 30,-2.7 -3,-0.1 2,-0.6 -0.950 72.7 -73.0 166.5 179.8 13.4 -20.9 -5.5 59 68 A I E - L 0 87B 42 -33,-0.3 -33,-2.9 -2,-0.3 2,-0.3 -0.923 51.5-167.4-100.8 119.9 11.3 -19.9 -8.5 60 69 A Y E -KL 25 86B 1 26,-2.9 26,-2.4 -2,-0.6 2,-0.5 -0.854 15.5-156.9-112.8 146.7 7.9 -18.9 -7.3 61 70 A K E -KL 24 85B 18 -37,-2.6 -37,-2.7 -2,-0.3 2,-0.7 -0.988 4.4-161.7-122.2 118.0 4.6 -18.3 -9.2 62 71 A V E -KL 23 84B 0 22,-3.0 22,-1.9 -2,-0.5 2,-0.6 -0.914 11.3-164.9 -98.6 112.9 2.0 -16.0 -7.7 63 72 A E E -KL 22 83B 30 -41,-3.1 -41,-2.6 -2,-0.7 2,-0.6 -0.913 3.1-161.9-104.1 114.7 -1.3 -16.8 -9.4 64 73 A I E -KL 21 82B 0 18,-3.2 2,-2.2 -2,-0.6 18,-2.2 -0.863 18.5-135.7-100.3 120.8 -3.9 -14.1 -8.8 65 74 A D > + 0 0 24 -45,-3.0 4,-1.9 -2,-0.6 -45,-0.4 -0.431 41.5 157.8 -84.6 73.7 -7.4 -15.5 -9.7 66 75 A T H > + 0 0 4 -2,-2.2 4,-2.7 1,-0.2 5,-0.3 0.868 68.6 53.5 -67.9 -39.0 -8.7 -12.5 -11.6 67 76 A K H > S+ 0 0 53 13,-1.3 4,-2.9 -3,-0.3 5,-0.2 0.944 109.2 49.0 -66.0 -42.6 -11.3 -14.3 -13.6 68 77 A S H > S+ 0 0 79 12,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.896 112.2 51.2 -60.5 -38.5 -12.8 -15.8 -10.5 69 78 A Y H X S+ 0 0 18 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.958 113.9 41.2 -61.9 -50.7 -12.8 -12.3 -8.9 70 79 A W H ><>S+ 0 0 4 -4,-2.7 5,-2.6 1,-0.2 3,-0.7 0.921 113.7 52.7 -66.9 -41.8 -14.5 -10.7 -11.9 71 80 A K H ><5S+ 0 0 128 -4,-2.9 3,-1.7 -5,-0.3 -1,-0.2 0.870 103.6 57.1 -61.6 -38.4 -17.0 -13.5 -12.4 72 81 A A H 3<5S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.778 107.2 50.1 -63.3 -23.4 -18.0 -13.3 -8.7 73 82 A L T <<5S- 0 0 59 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.315 124.5-108.5 -89.0 2.1 -18.9 -9.7 -9.5 74 83 A G T < 5S+ 0 0 70 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.660 78.6 128.8 79.4 18.3 -20.9 -10.8 -12.5 75 84 A I < - 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