==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 27-NOV-01 1KGJ . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.WOJTCZAK,P.NEUMANN,T.MUZIOL,V.CODY,J.R.LUFT,W.PANGBORN . 485 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 37.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 0.4 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 . 47 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 0 2 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 4 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 . 3 10 1 0 5 3 9 0 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 1 2 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 5 A A 0 0 137 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-153.6 29.5 51.7 53.9 2 6 A G - 0 0 72 2,-0.3 120,-0.1 3,-0.0 0, 0.0 0.520 360.0 -46.9 -84.2-128.7 26.9 54.4 53.8 3 7 A E S S+ 0 0 201 118,-0.2 2,-0.1 2,-0.0 0, 0.0 0.973 115.2 60.4 -74.9 -58.6 25.7 56.3 50.7 4 8 A S - 0 0 55 1,-0.1 -2,-0.3 117,-0.1 0, 0.0 -0.385 56.4-161.5 -77.8 151.8 29.0 57.2 49.0 5 9 A K S S+ 0 0 179 1,-0.2 52,-0.3 -2,-0.1 -1,-0.1 0.723 75.1 51.6 -99.2 -31.6 31.6 54.8 47.7 6 10 A C - 0 0 22 1,-0.1 -1,-0.2 50,-0.1 50,-0.1 -0.948 55.2-164.3-120.9 122.5 34.7 57.2 47.3 7 11 A P S S+ 0 0 0 0, 0.0 94,-3.8 0, 0.0 2,-0.6 0.797 81.8 55.3 -68.2 -34.4 36.1 59.5 50.0 8 12 A L E +a 101 0A 1 92,-0.2 46,-0.5 47,-0.1 2,-0.3 -0.921 68.4 166.5-109.6 118.0 38.2 61.6 47.7 9 13 A M E -a 102 0A 29 92,-0.8 94,-2.7 -2,-0.6 2,-0.4 -0.960 18.5-158.0-130.6 145.9 36.4 63.2 44.7 10 14 A V E -aB 103 51A 0 41,-0.9 41,-1.6 -2,-0.3 2,-0.4 -0.966 5.4-172.8-126.5 135.4 37.4 65.9 42.3 11 15 A K E -aB 104 50A 76 92,-2.7 94,-2.4 -2,-0.4 2,-0.4 -1.000 5.7-170.4-129.3 129.7 35.1 68.1 40.2 12 16 A V E -a 105 0A 0 37,-2.2 9,-1.8 -2,-0.4 2,-0.3 -0.968 4.3-164.1-122.1 138.9 36.5 70.5 37.5 13 17 A L E -aC 106 20A 30 92,-2.3 94,-3.2 -2,-0.4 2,-0.6 -0.857 17.7-132.7-125.1 158.2 34.5 73.2 35.6 14 18 A D E >> -aC 107 19A 1 5,-2.5 4,-1.5 -2,-0.3 5,-1.1 -0.919 15.7-177.6-112.4 111.3 34.9 75.3 32.5 15 19 A A T 45S+ 0 0 0 92,-2.8 460,-2.5 -2,-0.6 461,-0.2 0.686 82.2 56.5 -79.3 -21.4 34.2 79.0 32.9 16 20 A V T 45S+ 0 0 34 91,-0.5 -1,-0.2 458,-0.2 92,-0.1 0.876 124.7 20.7 -75.5 -41.1 34.8 79.9 29.3 17 21 A R T 45S- 0 0 119 2,-0.2 345,-0.2 457,-0.1 -2,-0.2 0.544 98.9-126.6-105.1 -12.7 32.2 77.4 27.9 18 22 A G T <5S+ 0 0 0 -4,-1.5 344,-1.2 1,-0.3 -3,-0.2 0.977 71.1 108.7 62.2 54.9 30.1 76.9 31.0 19 23 A S E - 0 0 38 4,-3.0 3,-3.8 -2,-0.9 4,-0.1 -0.236 33.6 -89.0 -66.8 161.3 55.6 59.9 52.7 33 37 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.781 128.7 57.9 -37.3 -44.9 57.4 60.1 56.1 34 38 A D T 3 S- 0 0 145 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.643 122.8-106.9 -65.1 -15.3 60.7 61.2 54.5 35 39 A G S < S+ 0 0 27 -3,-3.8 -2,-0.2 1,-0.4 -1,-0.1 0.245 80.3 133.3 103.2 -8.8 58.8 64.1 53.1 36 40 A S - 0 0 60 -5,-0.1 -4,-3.0 -4,-0.1 2,-0.8 -0.265 61.4-113.3 -70.1 159.1 58.9 62.5 49.6 37 41 A W E -J 31 0B 71 -6,-0.3 -6,-0.3 -3,-0.1 -1,-0.1 -0.839 27.3-159.5-103.1 105.8 55.8 62.4 47.4 38 42 A E E -J 30 0B 115 -8,-3.1 -8,-2.3 -2,-0.8 2,-0.6 -0.632 30.7-106.5 -84.1 136.4 54.5 58.8 46.8 39 43 A P E +J 29 0B 103 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.476 43.8 173.7 -62.1 105.8 52.2 58.3 43.8 40 44 A F E - 0 0 35 -12,-1.5 2,-0.3 -2,-0.6 -11,-0.2 0.952 53.9 -40.1 -81.3 -55.0 48.8 57.8 45.4 41 45 A A E -J 28 0B 27 -13,-1.5 -13,-2.8 2,-0.0 -1,-0.3 -0.955 45.1-152.8-163.3 173.5 46.5 57.7 42.4 42 46 A S E +J 27 0B 91 -2,-0.3 2,-0.3 -15,-0.3 -15,-0.2 -0.927 20.4 154.4-161.0 135.4 45.7 59.1 39.0 43 47 A G E -J 26 0B 23 -17,-2.5 -17,-2.9 -2,-0.3 2,-0.4 -0.861 35.5-115.4-148.6-176.1 42.5 59.5 36.9 44 48 A K E -J 25 0B 110 -2,-0.3 -19,-0.2 -19,-0.2 6,-0.1 -0.998 37.2-107.4-133.2 124.0 40.9 61.5 34.2 45 49 A T - 0 0 1 -21,-2.3 -22,-3.0 -2,-0.4 -21,-0.3 -0.285 40.4-135.0 -54.6 123.6 37.7 63.7 34.7 46 50 A A > - 0 0 54 4,-2.9 3,-1.7 -24,-0.2 -23,-0.2 0.211 38.0 -73.7 -66.9-167.2 34.7 62.0 33.0 47 51 A E T 3 S+ 0 0 180 1,-0.3 -1,-0.1 -25,-0.1 -25,-0.1 0.669 132.7 55.9 -65.8 -17.2 32.0 63.6 30.9 48 52 A S T 3 S- 0 0 53 2,-0.3 -1,-0.3 -29,-0.1 -27,-0.2 0.348 116.6-112.0 -96.8 4.7 30.5 65.2 34.0 49 53 A G S < S+ 0 0 0 -3,-1.7 -37,-2.2 1,-0.3 2,-0.2 0.437 84.9 116.6 78.0 -1.1 33.7 66.9 35.0 50 54 A E E -B 11 0A 48 -39,-0.2 -4,-2.9 -5,-0.1 2,-0.4 -0.620 55.6-149.5-100.0 156.0 33.8 64.5 37.9 51 55 A L E +B 10 0A 13 -41,-1.6 -41,-0.9 -6,-0.2 2,-0.3 -0.953 19.9 179.6-129.6 111.6 36.4 61.8 38.8 52 56 A H + 0 0 103 -2,-0.4 -43,-0.1 1,-0.2 -2,-0.0 -0.781 55.0 40.7-111.5 157.7 35.2 58.7 40.7 53 57 A G + 0 0 57 -2,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.834 66.3 136.4 79.2 34.2 37.0 55.6 41.9 54 58 A L S S- 0 0 21 -46,-0.5 2,-0.2 -3,-0.2 -12,-0.2 0.957 71.2 -25.1 -75.7 -52.1 40.1 57.4 43.1 55 59 A T - 0 0 12 -47,-0.3 2,-0.3 -14,-0.1 -1,-0.2 -0.815 59.0-113.7-149.9-178.1 40.6 55.6 46.4 56 60 A T > - 0 0 67 -2,-0.2 4,-2.9 -50,-0.1 3,-0.4 -0.868 35.5-106.3-122.4 160.4 38.8 53.7 49.2 57 61 A D T 4 S+ 0 0 50 -52,-0.3 -51,-0.1 -2,-0.3 -1,-0.0 0.796 122.0 50.1 -56.8 -28.3 38.3 54.6 52.8 58 62 A E T 4 S+ 0 0 173 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.838 114.8 40.6 -79.9 -35.3 40.9 52.1 53.8 59 63 A K T 4 S+ 0 0 113 -3,-0.4 2,-1.9 1,-0.2 -2,-0.2 0.765 101.3 75.9 -81.8 -29.3 43.6 53.3 51.3 60 64 A F S < S+ 0 0 0 -4,-2.9 -1,-0.2 -52,-0.0 3,-0.1 -0.582 71.1 160.0 -84.2 76.2 42.8 56.9 52.0 61 65 A T - 0 0 76 -2,-1.9 32,-0.1 1,-0.2 -2,-0.1 -0.195 46.5 -65.8 -88.1-175.8 44.5 57.1 55.3 62 66 A E S S+ 0 0 112 32,-0.2 2,-0.3 -2,-0.1 -1,-0.2 -0.287 80.5 86.4 -72.1 157.4 45.7 60.2 57.2 63 67 A G E S- L 0 93B 21 30,-1.4 30,-2.8 -3,-0.1 2,-0.6 -0.852 78.5 -53.1 144.5-177.9 48.5 62.4 55.8 64 68 A V E - L 0 92B 32 -33,-0.4 -33,-2.3 -2,-0.3 2,-0.3 -0.865 53.2-165.3 -98.4 123.4 49.3 65.3 53.4 65 69 A Y E -KL 30 91B 0 26,-3.1 26,-1.8 -2,-0.6 2,-0.4 -0.734 11.9-153.9-109.1 158.0 48.0 64.9 49.9 66 70 A R E -KL 29 90B 45 -37,-2.1 -37,-1.8 -2,-0.3 2,-0.7 -0.969 5.2-164.6-135.5 114.6 48.7 66.7 46.7 67 71 A V E -KL 28 89B 1 22,-3.2 22,-2.4 -2,-0.4 2,-0.4 -0.892 9.6-166.9-103.6 113.6 46.2 66.8 43.9 68 72 A E E -KL 27 88B 29 -41,-3.3 -41,-2.2 -2,-0.7 2,-0.4 -0.806 4.0-166.0-102.4 142.0 47.7 67.9 40.5 69 73 A L E -KL 26 87B 2 18,-1.9 2,-2.5 -2,-0.4 18,-2.5 -0.935 18.7-140.6-131.5 109.4 45.5 68.9 37.6 70 74 A D > + 0 0 43 -45,-2.1 4,-1.0 -2,-0.4 -45,-0.5 -0.388 38.4 157.2 -70.3 77.6 47.0 69.2 34.1 71 75 A T H > + 0 0 7 -2,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.717 63.0 67.6 -73.9 -23.1 45.1 72.3 33.1 72 76 A K H > S+ 0 0 50 13,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.941 99.9 45.5 -63.0 -52.4 47.7 73.2 30.5 73 77 A S H > S+ 0 0 67 12,-0.3 4,-2.3 1,-0.2 5,-0.2 0.882 108.3 60.9 -59.3 -37.3 47.0 70.3 28.2 74 78 A Y H X S+ 0 0 17 -4,-1.0 4,-1.0 1,-0.2 -1,-0.2 0.947 110.8 37.1 -54.6 -53.6 43.3 71.0 28.6 75 79 A W H X>S+ 0 0 5 -4,-1.8 5,-2.0 2,-0.2 4,-1.2 0.868 112.8 57.3 -68.2 -42.5 43.5 74.5 27.1 76 80 A K H ><5S+ 0 0 112 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.932 101.7 55.3 -53.9 -54.3 46.2 73.6 24.4 77 81 A A H 3<5S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.884 107.9 52.1 -48.6 -38.0 44.0 71.0 22.9 78 82 A L H 3<5S- 0 0 71 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.778 121.2-106.9 -70.9 -28.3 41.3 73.7 22.5 79 83 A G T <<5S+ 0 0 67 -4,-1.2 2,-0.2 -3,-1.1 -3,-0.2 0.354 80.9 123.2 112.2 3.3 43.6 76.2 20.8 80 84 A I < - 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