==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT(THYROXINE) 12-MAY-93 1ETA . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.C.BRADEN,L.K.STEINRAUF,J.A.HAMILTON . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 36.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0.8 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 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 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 1 1 G 0 0 77 0, 0.0 60,-0.3 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0-149.9 9.2 28.3 20.1 2 2 1 P + 0 0 41 0, 0.0 59,-0.5 0, 0.0 5,-0.2 0.870 360.0 179.7 -40.6-121.5 10.4 25.5 22.4 3 3 1 T - 0 0 99 57,-0.2 57,-0.0 3,-0.1 0, 0.0 -0.478 36.1-108.6 147.4 -67.0 13.3 23.4 21.1 4 4 1 G S S+ 0 0 35 -2,-0.1 -1,-0.1 0, 0.0 57,-0.0 0.752 85.6 1.7 120.7 30.9 14.4 20.6 23.5 5 5 1 T S S+ 0 0 115 40,-0.0 -2,-0.0 59,-0.0 54,-0.0 0.491 117.0 48.9 141.5 22.9 17.8 20.9 25.3 6 6 1 G S S- 0 0 13 0, 0.0 53,-0.4 0, 0.0 54,-0.2 0.546 105.0 -38.9-145.9 -68.6 19.4 24.3 24.3 7 7 1 E + 0 0 122 51,-0.2 53,-0.3 -5,-0.2 -4,-0.1 -0.107 44.0 173.8 176.1 75.0 17.8 27.7 24.3 8 8 1 S S S- 0 0 25 51,-0.4 52,-0.1 1,-0.2 -5,-0.1 0.936 89.5 -27.9 -48.2-100.0 14.3 28.5 23.3 9 9 1 K S S- 0 0 42 117,-0.0 -1,-0.2 116,-0.0 117,-0.1 0.180 105.6 -91.5-103.0 9.9 13.5 32.2 24.0 10 10 1 C - 0 0 21 49,-0.2 3,-0.1 2,-0.0 50,-0.1 0.957 56.3-175.9 67.3 85.9 16.1 31.7 26.7 11 11 1 P + 0 0 2 0, 0.0 94,-2.9 0, 0.0 2,-0.4 0.602 69.8 41.4 -83.7 -16.9 13.7 30.7 29.4 12 12 1 L E +a 105 0A 1 47,-0.2 46,-0.6 92,-0.2 2,-0.3 -0.946 66.8 168.4-140.1 115.5 16.5 30.5 32.0 13 13 1 M E -a 106 0A 36 92,-3.2 94,-2.9 -2,-0.4 2,-0.4 -0.927 15.2-158.2-126.1 147.4 19.3 32.9 32.3 14 14 1 V E -aB 107 55A 2 41,-1.9 41,-3.0 -2,-0.3 2,-0.4 -0.995 7.4-175.5-129.2 134.4 21.9 33.4 35.1 15 15 1 K E -aB 108 54A 63 92,-2.2 94,-2.5 -2,-0.4 2,-0.4 -0.995 3.8-170.7-130.7 123.4 24.0 36.5 35.7 16 16 1 V E -a 109 0A 0 37,-3.3 9,-2.7 -2,-0.4 2,-0.3 -0.958 1.3-171.6-123.2 132.9 26.7 36.8 38.4 17 17 1 L E -aC 110 24A 71 92,-2.2 94,-3.1 -2,-0.4 2,-0.6 -0.876 19.5-134.1-118.9 148.2 28.5 39.9 39.6 18 18 1 D E >> -aC 111 23A 3 5,-3.2 5,-1.4 -2,-0.3 4,-1.3 -0.932 11.0-169.3-106.1 112.7 31.5 40.4 41.9 19 19 1 A T 45S+ 0 0 50 92,-2.5 93,-0.2 -2,-0.6 -1,-0.1 0.518 85.3 56.6 -78.3 -9.2 31.0 43.1 44.5 20 20 1 V T 45S+ 0 0 82 91,-0.5 -1,-0.2 3,-0.1 92,-0.1 0.878 120.1 25.5 -89.5 -45.0 34.8 43.1 45.5 21 21 1 R T 45S- 0 0 121 2,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.510 99.6-123.7 -97.5 -13.4 36.2 43.8 42.0 22 22 1 G T <5S+ 0 0 72 -4,-1.3 -3,-0.2 1,-0.3 -5,-0.0 0.950 74.5 104.6 67.0 51.1 33.3 45.7 40.5 23 23 1 S E - 0 0 14 4,-3.6 3,-2.2 -2,-0.5 -1,-0.0 -0.305 30.2 -91.9 -84.7 174.7 11.9 14.2 40.3 37 37 1 A T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.841 126.0 55.7 -52.6 -41.6 8.8 12.3 41.2 38 38 1 D T 3 S- 0 0 102 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.253 121.8-106.2 -76.4 8.3 10.6 10.4 43.9 39 39 1 D S < S+ 0 0 123 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.711 79.0 126.4 73.4 21.8 11.6 13.6 45.5 40 40 1 T - 0 0 74 -6,-0.1 -4,-3.6 -4,-0.0 2,-0.7 -0.744 65.2-110.2-105.9 161.8 15.3 13.5 44.5 41 41 1 W E -J 35 0B 80 -2,-0.3 -6,-0.2 -6,-0.2 28,-0.1 -0.853 34.6-165.2 -89.7 111.9 17.3 16.2 42.6 42 42 1 E E -J 34 0B 91 -8,-3.0 -8,-2.6 -2,-0.7 0, 0.0 -0.810 30.0-101.3 -98.4 140.1 18.1 15.1 39.1 43 43 1 P E +J 33 0B 112 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.296 45.6 166.3 -54.0 136.4 20.8 16.8 37.0 44 44 1 F E - 0 0 42 -12,-2.7 2,-0.3 1,-0.5 -11,-0.2 0.648 57.3 -23.7-125.3 -40.4 19.1 19.2 34.5 45 45 1 A E -J 32 0B 20 -13,-1.7 -13,-3.4 2,-0.0 -1,-0.5 -0.949 50.8-172.2-171.0 152.9 21.8 21.5 33.0 46 46 1 S E +J 31 0B 78 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.949 15.9 144.4-150.0 163.7 25.2 23.0 33.8 47 47 1 G E -J 30 0B 27 -17,-1.7 -17,-2.3 -2,-0.3 2,-0.3 -0.938 39.5-105.1-178.8 178.8 27.6 25.6 32.3 48 48 1 K E -J 29 0B 133 -2,-0.3 -19,-0.2 -19,-0.2 2,-0.1 -0.937 38.7-100.4-124.6 146.7 30.1 28.3 33.3 49 49 1 T - 0 0 2 -21,-2.2 -22,-1.7 -2,-0.3 6,-0.2 -0.373 37.3-128.4 -65.5 148.1 29.6 32.1 33.2 50 50 1 S > - 0 0 47 4,-2.4 3,-2.5 -24,-0.2 -22,-0.2 -0.119 38.3 -82.5 -82.4-178.9 31.0 34.0 30.3 51 51 1 E T 3 S+ 0 0 148 1,-0.3 -25,-0.1 2,-0.1 -1,-0.1 0.687 134.3 54.9 -61.8 -18.9 33.3 37.1 30.3 52 52 1 S T 3 S- 0 0 53 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.1 0.309 119.8-114.2 -95.7 6.2 30.1 39.1 30.8 53 53 1 G S < S+ 0 0 0 -3,-2.5 -37,-3.3 1,-0.3 2,-0.3 0.654 76.4 123.5 71.9 18.7 29.3 37.0 33.8 54 54 1 E E -B 15 0A 58 -39,-0.2 -4,-2.4 -6,-0.1 2,-0.4 -0.770 48.5-155.1-114.1 154.4 26.2 35.4 32.1 55 55 1 L E +B 14 0A 14 -41,-3.0 -41,-1.9 -2,-0.3 2,-0.2 -0.967 21.4 167.2-130.4 117.5 25.0 31.9 31.3 56 56 1 H + 0 0 91 -2,-0.4 -43,-0.1 -43,-0.2 -49,-0.1 -0.737 51.4 44.6-118.9 167.0 22.6 31.3 28.4 57 57 1 G + 0 0 23 -2,-0.2 -1,-0.1 -45,-0.2 -44,-0.1 0.762 60.4 135.4 72.1 27.5 21.4 28.2 26.6 58 58 1 L S S- 0 0 12 -46,-0.6 2,-0.3 -3,-0.2 -51,-0.2 0.789 76.3 -18.0 -73.8 -29.5 20.9 26.0 29.7 59 59 1 T - 0 0 1 -53,-0.4 -51,-0.4 -47,-0.3 2,-0.3 -0.902 63.4-112.8-161.3-178.5 17.5 24.7 28.3 60 60 1 T > - 0 0 0 -53,-0.3 4,-1.9 -2,-0.3 -57,-0.2 -0.826 35.2-105.0-125.2 166.4 14.6 25.3 25.9 61 61 1 E T 4 S+ 0 0 41 -59,-0.5 42,-0.1 -60,-0.3 -1,-0.0 0.826 120.5 51.9 -57.4 -38.3 11.0 26.2 26.3 62 62 1 E T 4 S+ 0 0 120 1,-0.2 -1,-0.2 -61,-0.1 3,-0.0 0.866 114.0 39.6 -69.3 -42.6 10.1 22.5 25.5 63 63 1 E T 4 S+ 0 0 43 1,-0.2 2,-1.9 -3,-0.1 -2,-0.2 0.743 97.1 83.8 -79.4 -26.1 12.4 20.9 28.0 64 64 1 F < + 0 0 9 -4,-1.9 -1,-0.2 3,-0.0 3,-0.1 -0.508 66.5 166.9 -85.5 72.5 11.7 23.5 30.8 65 65 1 V - 0 0 75 -2,-1.9 32,-0.1 1,-0.2 34,-0.1 -0.228 46.5 -68.3 -85.3 172.5 8.5 22.0 32.2 66 66 1 E S S+ 0 0 120 32,-0.2 2,-0.3 30,-0.1 32,-0.2 -0.316 83.4 101.7 -54.4 139.1 6.6 22.8 35.3 67 67 1 G E S- L 0 97B 14 30,-1.6 30,-2.6 -3,-0.1 2,-0.5 -0.964 73.8 -71.0 165.6-176.2 8.6 21.7 38.4 68 68 1 I E - L 0 96B 37 -33,-0.3 -33,-2.6 -2,-0.3 2,-0.3 -0.971 49.5-168.6-108.1 124.1 10.9 22.7 41.3 69 69 1 Y E -KL 34 95B 0 26,-2.8 26,-2.1 -2,-0.5 2,-0.4 -0.833 12.7-156.5-117.6 152.5 14.4 23.7 40.2 70 70 1 K E -KL 33 94B 26 -37,-2.3 -37,-2.6 -2,-0.3 2,-0.6 -0.999 2.3-161.1-131.1 125.6 17.6 24.4 42.1 71 71 1 V E -KL 32 93B 0 22,-2.6 22,-1.8 -2,-0.4 2,-0.5 -0.967 9.5-165.3-106.5 118.6 20.4 26.5 40.7 72 72 1 E E -KL 31 92B 44 -41,-4.0 -41,-2.4 -2,-0.6 2,-0.5 -0.933 0.5-163.9-104.8 126.9 23.6 25.9 42.5 73 73 1 I E -KL 30 91B 1 18,-3.6 18,-2.3 -2,-0.5 2,-1.9 -0.967 19.3-134.5-108.6 125.8 26.3 28.5 41.9 74 74 1 D > + 0 0 44 -45,-2.6 4,-0.8 -2,-0.5 -45,-0.4 -0.553 40.9 158.1 -84.3 81.0 29.8 27.3 42.9 75 75 1 T H > + 0 0 4 -2,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.811 63.1 65.9 -69.7 -35.7 30.9 30.5 44.8 76 76 1 K H > S+ 0 0 53 13,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.892 101.9 44.5 -55.0 -53.4 33.6 28.7 46.8 77 77 1 S H > S+ 0 0 72 12,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.769 110.5 57.3 -62.8 -34.2 35.9 27.8 43.9 78 78 1 Y H < S+ 0 0 17 -4,-0.8 4,-0.4 2,-0.2 -1,-0.2 0.921 112.0 39.5 -60.5 -47.9 35.5 31.3 42.4 79 79 1 W H ><>S+ 0 0 4 -4,-1.9 5,-2.4 2,-0.2 3,-1.4 0.900 113.0 53.8 -72.6 -45.3 36.8 33.0 45.6 80 80 1 K H ><5S+ 0 0 104 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.878 103.1 58.9 -55.1 -42.8 39.6 30.5 46.3 81 81 1 A T 3<5S+ 0 0 86 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.709 106.3 49.5 -60.9 -22.6 40.9 31.0 42.8 82 82 1 L T < 5S- 0 0 62 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.414 125.5-100.8 -95.4 -5.6 41.3 34.7 43.8 83 83 1 G T < 5S+ 0 0 70 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.493 84.9 123.1 95.3 8.2 43.1 33.9 47.0 84 84 1 I < - 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0 0 64 21,-0.1 2,-0.4 -92,-0.1 21,-0.2 -0.870 32.1-113.6-139.3 163.6 7.8 32.3 31.9 104 104 1 R E - D 0 123A 65 19,-2.8 19,-2.1 -2,-0.3 2,-0.5 -0.917 31.2-155.9-105.1 136.0 11.3 33.5 31.3 105 105 1 Y E -aD 12 122A 10 -94,-2.9 -92,-3.2 -2,-0.4 2,-0.5 -0.944 14.9-173.7-120.8 127.0 13.6 33.5 34.4 106 106 1 T E -aD 13 121A 47 15,-2.2 15,-2.3 -2,-0.5 2,-0.6 -0.989 10.0-165.0-113.0 118.1 16.7 35.7 35.0 107 107 1 I E -aD 14 120A 0 -94,-2.9 -92,-2.2 -2,-0.5 2,-0.4 -0.962 9.4-171.0 -99.7 117.8 18.5 34.6 38.2 108 108 1 A E -aD 15 119A 29 11,-2.7 11,-2.2 -2,-0.6 2,-0.3 -0.923 3.5-172.3-109.4 141.2 21.0 37.4 39.2 109 109 1 A E -aD 16 118A 5 -94,-2.5 -92,-2.2 -2,-0.4 2,-0.5 -0.991 10.8-158.4-128.5 137.4 23.5 36.8 42.1 110 110 1 L E -aD 17 117A 71 7,-2.6 7,-1.9 -2,-0.3 2,-0.4 -0.987 21.8-150.9-114.4 122.8 25.9 39.5 43.6 111 111 1 L E +aD 18 116A 1 -94,-3.1 -92,-2.5 -2,-0.5 -91,-0.5 -0.845 28.0 158.3-111.1 138.6 28.9 38.0 45.4 112 112 1 S E > - D 0 115A 39 3,-2.5 3,-0.9 -2,-0.4 -33,-0.1 -0.885 52.9-105.2-137.8 155.6 31.1 39.0 48.3 113 113 1 P T 3 S+ 0 0 25 0, 0.0 -26,-2.1 0, 0.0 -25,-0.6 0.853 118.6 22.9 -54.5 -40.9 33.2 36.6 50.4 114 114 1 Y T 3 S+ 0 0 106 -28,-0.2 134,-2.0 -27,-0.1 2,-0.3 0.242 127.1 43.4-110.5 12.3 30.9 36.6 53.4 115 115 1 S E < -DE 112 247A 24 -3,-0.9 -3,-2.5 132,-0.2 2,-0.3 -0.981 52.8-179.0-155.9 147.3 27.6 37.7 51.7 116 116 1 Y E -DE 111 246A 6 130,-1.9 130,-2.5 -2,-0.3 2,-0.4 -0.984 8.9-159.3-147.4 149.5 25.6 37.1 48.6 117 117 1 S E -DE 110 245A 34 -7,-1.9 -7,-2.6 -2,-0.3 2,-0.4 -0.965 8.1-168.7-127.4 146.9 22.3 38.5 47.3 118 118 1 T E +DE 109 244A 4 126,-2.2 126,-2.0 -2,-0.4 2,-0.3 -1.000 6.5 176.1-138.5 137.8 20.0 36.9 44.8 119 119 1 T E -DE 108 243A 56 -11,-2.2 -11,-2.7 -2,-0.4 2,-0.4 -0.923 16.9-142.6-137.4 156.3 17.1 38.3 42.9 120 120 1 A E -D 107 0A 8 122,-1.7 2,-0.5 -2,-0.3 -13,-0.2 -0.975 3.2-161.0-122.4 140.9 14.8 36.9 40.2 121 121 1 V E -D 106 0A 81 -15,-2.3 -15,-2.2 -2,-0.4 2,-0.5 -0.997 14.5-166.2-120.5 120.0 13.3 38.7 37.2 122 122 1 V E -D 105 0A 52 -2,-0.5 2,-0.4 -17,-0.2 -17,-0.2 -0.955 3.6-169.9-116.7 123.7 10.3 36.9 35.8 123 123 1 T E -D 104 0A 51 -19,-2.1 -19,-2.8 -2,-0.5 -2,-0.0 -0.917 27.3-129.6-117.9 138.4 8.8 37.8 32.4 124 124 1 N - 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