==== 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 THYROXINE BINDING PROTEIN 22-FEB-08 3CBR . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.N.MOHAMEDMOHAIDEEN,S.K.PALANINATHAN,W.C.SNEE,J.W.KELLY, . 211 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 44.1 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0.5 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 . 26 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 1 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 2 1 5 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 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 11 A P 0 0 55 0, 0.0 94,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -18.7 35.1 12.8 35.3 2 12 A L E +a 95 0A 7 47,-0.3 46,-0.6 92,-0.2 47,-0.3 -0.961 360.0 160.6-141.9 117.7 37.8 13.0 32.5 3 13 A M E -a 96 0A 37 92,-2.5 94,-2.6 -2,-0.4 2,-0.4 -0.944 22.9-147.6-136.0 158.6 40.9 10.8 32.3 4 14 A V E -aB 97 45A 0 41,-1.9 41,-2.6 -2,-0.3 2,-0.4 -0.987 9.0-172.0-127.7 136.9 43.3 9.8 29.6 5 15 A K E -aB 98 44A 81 92,-2.5 94,-3.1 -2,-0.4 2,-0.4 -0.997 8.2-167.9-129.0 133.0 45.2 6.5 29.2 6 16 A V E -a 99 0A 0 37,-2.4 9,-2.6 -2,-0.4 2,-0.3 -0.983 4.0-168.2-131.2 128.2 47.9 6.0 26.6 7 17 A L E -aC 100 14A 87 92,-2.7 94,-2.7 -2,-0.4 2,-0.6 -0.899 16.2-139.6-114.1 147.5 49.6 2.8 25.4 8 18 A D E >> -aC 101 13A 2 5,-3.3 4,-1.5 -2,-0.3 5,-1.4 -0.924 9.6-168.3-107.2 114.6 52.7 2.5 23.2 9 19 A A T 45S+ 0 0 52 92,-2.9 93,-0.1 -2,-0.6 -1,-0.1 0.549 85.4 56.9 -81.7 -9.3 52.4 -0.4 20.6 10 20 A V T 45S+ 0 0 65 91,-0.4 -1,-0.2 3,-0.1 92,-0.1 0.832 120.9 26.5 -84.9 -39.8 56.1 -0.3 19.7 11 21 A R T 45S- 0 0 148 2,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.588 99.1-129.5 -98.2 -16.6 57.3 -0.9 23.3 12 22 A G T <5S+ 0 0 71 -4,-1.5 -3,-0.2 1,-0.3 3,-0.0 0.945 73.2 105.4 61.6 50.0 54.2 -2.8 24.6 13 23 A S E - 0 0 0 -9,-2.6 3,-0.5 28,-0.2 2,-0.3 -0.845 38.8-153.2 -91.1 109.3 53.2 5.8 27.2 16 26 A I T 3 + 0 0 71 -2,-0.8 24,-0.2 1,-0.2 25,-0.2 -0.621 62.0 4.8 -93.2 144.1 54.9 7.8 30.0 17 27 A N T 3 S+ 0 0 94 22,-1.7 2,-0.5 23,-0.3 -1,-0.2 0.802 78.9 160.4 56.4 37.6 55.1 11.6 30.3 18 28 A V < - 0 0 1 -3,-0.5 21,-2.0 22,-0.2 -1,-0.2 -0.782 39.6-124.7 -87.6 127.1 53.0 12.3 27.2 19 29 A A E -J 38 0B 22 -2,-0.5 45,-3.2 45,-0.4 2,-0.4 -0.508 27.1-168.6 -72.7 138.7 51.6 15.8 27.1 20 30 A V E -JK 37 63B 0 17,-2.8 17,-1.9 43,-0.2 2,-0.4 -0.996 5.2-167.6-132.8 131.2 47.8 16.1 26.8 21 31 A H E -JK 36 62B 70 41,-2.8 41,-3.0 -2,-0.4 2,-0.4 -0.991 3.5-163.9-122.5 129.0 45.9 19.3 26.0 22 32 A V E -JK 35 61B 1 13,-3.8 12,-2.9 -2,-0.4 13,-1.9 -0.931 7.7-174.1-113.1 137.7 42.1 19.5 26.4 23 33 A F E -JK 33 60B 45 37,-2.5 37,-2.6 -2,-0.4 2,-0.4 -0.911 12.7-148.7-126.9 153.5 40.0 22.3 24.8 24 34 A R E -JK 32 59B 83 8,-2.7 8,-3.1 -2,-0.3 2,-0.4 -0.983 24.4-118.3-123.9 135.6 36.3 23.3 25.1 25 35 A K E -J 31 0B 71 33,-2.8 33,-0.3 -2,-0.4 6,-0.2 -0.601 31.1-145.0 -74.8 122.7 34.4 25.0 22.3 26 36 A A > - 0 0 27 4,-3.2 3,-2.0 -2,-0.4 -1,-0.0 -0.320 29.5 -97.0 -82.2 170.1 33.1 28.4 23.4 27 37 A A T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.814 125.0 53.6 -58.2 -34.0 29.8 29.9 22.2 28 38 A D T 3 S- 0 0 65 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.095 122.2-105.8 -90.7 20.6 31.5 31.9 19.5 29 39 A D S < S+ 0 0 114 -3,-2.0 2,-0.2 1,-0.2 -2,-0.1 0.544 78.3 129.4 68.5 13.6 33.1 28.7 18.1 30 40 A T - 0 0 91 -6,-0.0 -4,-3.2 1,-0.0 2,-0.6 -0.578 62.8-114.0 -86.0 159.6 36.6 29.4 19.3 31 41 A W E -J 25 0B 78 -6,-0.2 -6,-0.2 -2,-0.2 28,-0.1 -0.879 29.9-159.8 -96.6 119.3 38.5 26.7 21.3 32 42 A E E -J 24 0B 28 -8,-3.1 -8,-2.7 -2,-0.6 2,-0.1 -0.823 28.0-105.7 -96.6 137.8 39.2 27.7 24.9 33 43 A P E +J 23 0B 117 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.425 44.2 169.5 -60.4 131.6 41.9 25.9 26.9 34 44 A F E - 0 0 42 -12,-2.9 2,-0.3 1,-0.4 -11,-0.2 0.772 54.0 -23.4-113.0 -48.6 40.2 23.6 29.3 35 45 A A E -J 22 0B 18 -13,-1.9 -13,-3.8 14,-0.0 -1,-0.4 -0.981 50.8-173.3-161.2 160.3 42.9 21.4 30.9 36 46 A S E +J 21 0B 78 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.987 16.1 136.7-154.3 159.2 46.4 19.9 30.4 37 47 A G E -J 20 0B 24 -17,-1.9 -17,-2.8 -2,-0.3 2,-0.4 -0.972 41.9 -98.2-176.1-175.4 48.8 17.5 32.0 38 48 A K E -J 19 0B 128 -2,-0.3 -19,-0.2 -19,-0.2 6,-0.1 -0.973 38.9-105.9-125.2 143.9 51.3 14.7 31.4 39 49 A T - 0 0 1 -21,-2.0 -22,-1.7 -2,-0.4 6,-0.2 -0.331 35.6-127.7 -66.0 148.7 50.7 10.9 31.7 40 50 A S > - 0 0 50 4,-2.5 3,-2.1 -24,-0.2 -23,-0.3 -0.083 40.5 -78.6 -81.6-174.8 52.2 9.1 34.7 41 51 A E T 3 S+ 0 0 140 1,-0.3 -25,-0.1 -25,-0.2 -2,-0.1 0.707 134.4 55.2 -60.4 -19.6 54.4 6.0 34.8 42 52 A S T 3 S- 0 0 53 2,-0.2 -1,-0.3 -27,-0.1 -27,-0.2 0.362 120.1-111.6 -93.9 4.5 51.2 4.0 34.3 43 53 A G S < S+ 0 0 0 -3,-2.1 -37,-2.4 1,-0.3 2,-0.3 0.647 78.2 127.7 76.1 16.5 50.4 6.0 31.1 44 54 A E E -B 5 0A 56 -39,-0.2 -4,-2.5 -6,-0.1 2,-0.4 -0.790 44.6-161.7-110.4 148.2 47.4 7.6 32.9 45 55 A L E +B 4 0A 14 -41,-2.6 -41,-1.9 -2,-0.3 2,-0.2 -0.968 19.9 163.0-131.2 117.5 46.4 11.2 33.4 46 56 A H + 0 0 105 -2,-0.4 -43,-0.1 -43,-0.2 -2,-0.0 -0.682 49.3 52.5-118.1 173.0 43.9 12.1 36.1 47 57 A G + 0 0 77 -2,-0.2 -1,-0.1 2,-0.2 -44,-0.1 0.673 60.9 132.2 75.7 17.8 42.9 15.4 37.8 48 58 A L S S- 0 0 21 -46,-0.6 2,-0.3 -3,-0.2 -12,-0.2 0.882 75.4 -11.8 -66.2 -37.8 42.3 17.3 34.6 49 59 A T - 0 0 26 -47,-0.3 -47,-0.3 -14,-0.1 2,-0.3 -0.930 62.6-114.0-155.2 171.2 38.9 18.7 35.8 50 60 A T > - 0 0 77 -2,-0.3 4,-1.7 -49,-0.1 3,-0.2 -0.728 35.8-110.2-107.8 163.3 36.2 18.6 38.4 51 61 A E T 4 S+ 0 0 79 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.891 118.1 56.5 -59.4 -37.3 32.6 17.5 37.9 52 62 A E T 4 S+ 0 0 162 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.888 112.4 39.0 -59.5 -42.6 31.5 21.2 38.4 53 63 A E T 4 S+ 0 0 116 -3,-0.2 2,-1.8 1,-0.2 -1,-0.2 0.698 96.6 82.2 -86.2 -20.2 33.7 22.5 35.7 54 64 A F < + 0 0 8 -4,-1.7 -1,-0.2 -3,-0.0 3,-0.1 -0.517 68.2 164.6 -86.9 71.1 33.2 19.7 33.2 55 65 A V - 0 0 69 -2,-1.8 32,-0.1 1,-0.2 34,-0.1 -0.204 47.8 -66.0 -82.5 174.0 29.9 21.0 31.9 56 66 A E S S+ 0 0 89 32,-0.2 2,-0.3 30,-0.1 32,-0.2 -0.333 83.9 101.4 -54.8 137.3 28.0 20.0 28.7 57 67 A G E S- L 0 87B 7 30,-1.9 30,-3.0 -3,-0.1 2,-0.5 -0.977 73.2 -68.3 169.7-175.9 30.0 20.9 25.6 58 68 A I E - L 0 86B 55 -33,-0.3 -33,-2.8 -2,-0.3 2,-0.3 -0.921 49.3-167.7-102.7 124.2 32.2 19.9 22.8 59 69 A Y E -KL 24 85B 0 26,-3.1 26,-2.5 -2,-0.5 2,-0.5 -0.875 13.2-154.8-117.6 145.4 35.7 19.0 23.9 60 70 A K E -KL 23 84B 13 -37,-2.6 -37,-2.5 -2,-0.3 2,-0.5 -0.983 7.5-163.4-119.6 124.1 38.9 18.4 22.0 61 71 A V E -KL 22 83B 1 22,-2.7 22,-1.9 -2,-0.5 2,-0.5 -0.939 5.7-170.6-108.8 124.1 41.6 16.1 23.4 62 72 A E E -KL 21 82B 32 -41,-3.0 -41,-2.8 -2,-0.5 2,-0.5 -0.975 6.5-162.0-116.0 126.3 45.1 16.4 21.8 63 73 A I E -KL 20 81B 2 18,-3.4 18,-2.3 -2,-0.5 2,-1.9 -0.952 20.8-133.9-109.0 121.1 47.8 13.9 22.8 64 74 A D > + 0 0 21 -45,-3.2 4,-1.1 -2,-0.5 -45,-0.4 -0.495 43.9 154.9 -83.0 78.2 51.2 15.2 21.9 65 75 A T H > + 0 0 5 -2,-1.9 4,-2.8 2,-0.2 5,-0.3 0.790 59.4 64.1 -80.3 -31.8 52.6 12.1 20.2 66 76 A K H > S+ 0 0 61 13,-1.7 4,-2.5 1,-0.2 5,-0.2 0.954 105.9 45.4 -59.5 -49.7 55.2 13.6 18.0 67 77 A S H > S+ 0 0 89 12,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.884 113.4 53.0 -58.1 -41.2 57.3 14.9 20.9 68 78 A Y H X S+ 0 0 21 -4,-1.1 4,-0.8 2,-0.2 -2,-0.2 0.934 111.6 42.3 -59.3 -53.0 56.8 11.5 22.6 69 79 A W H >X>S+ 0 0 4 -4,-2.8 5,-2.5 1,-0.2 3,-0.7 0.894 111.8 54.6 -64.9 -41.5 58.1 9.4 19.7 70 80 A K H ><5S+ 0 0 128 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.870 105.0 53.1 -63.3 -38.0 61.0 11.7 18.9 71 81 A A H 3<5S+ 0 0 92 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.729 108.6 52.6 -65.0 -23.7 62.3 11.4 22.5 72 82 A L H <<5S- 0 0 52 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.546 124.3-104.6 -85.4 -11.2 62.1 7.6 22.0 73 83 A G T <<5S+ 0 0 72 -3,-1.0 2,-0.4 -4,-0.5 -3,-0.2 0.744 82.5 123.6 86.8 27.7 64.2 7.8 18.8 74 84 A I < - 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