==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 03-FEB-99 1QAB . COMPND 2 MOLECULE: PROTEIN (TRANSTHYRETIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.M.NAYLOR,M.E.NEWCOMER . 820 6 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 213 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 5 0.6 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 . 94 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 2 3 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 . 1 1 0 1 1 0 1 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 . 13 10 6 7 6 2 4 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 . 3 2 1 6 0 0 1 0 0 1 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 A G 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.9 -56.3 52.7 46.1 2 2 A P - 0 0 118 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.043 360.0-123.5 -49.7 161.6 -59.3 50.9 47.5 3 3 A T S S+ 0 0 137 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.787 85.9 36.2-105.3 150.4 -59.8 47.2 47.0 4 4 A G S S+ 0 0 82 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.978 78.2 153.5 68.9 81.1 -63.0 45.9 45.4 5 5 A T + 0 0 125 -3,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.963 2.9 129.6-139.5 154.9 -63.9 48.6 42.9 6 6 A G - 0 0 63 -2,-0.3 2,-0.1 55,-0.0 0, 0.0 -0.935 51.6 -42.3-176.0-163.0 -65.8 48.6 39.7 7 7 A E - 0 0 138 -2,-0.3 54,-0.2 2,-0.1 2,-0.1 -0.289 36.9-133.0 -83.5 173.5 -68.6 50.3 37.7 8 8 A S + 0 0 112 2,-0.1 2,-0.9 52,-0.1 -1,-0.1 -0.504 49.2 140.2-122.4 59.2 -71.9 51.5 38.9 9 9 A K - 0 0 116 -2,-0.1 -2,-0.1 1,-0.0 0, 0.0 -0.806 64.4-110.6-107.3 92.2 -74.4 50.2 36.3 10 10 A C - 0 0 45 -2,-0.9 50,-0.1 1,-0.1 -2,-0.1 0.236 30.3-166.2 -18.5 109.2 -77.4 49.0 38.3 11 11 A P S S+ 0 0 20 0, 0.0 94,-0.6 0, 0.0 2,-0.2 0.968 73.1 38.7 -71.1 -51.0 -77.3 45.3 38.0 12 12 A L E +a 105 0A 7 92,-0.2 45,-0.4 47,-0.2 2,-0.2 -0.626 64.5 174.8-100.4 155.3 -80.9 44.9 39.3 13 13 A M E -a 106 0A 43 92,-0.6 94,-1.1 -2,-0.2 2,-0.2 -0.684 12.8-161.2-165.9 111.1 -84.0 47.1 38.6 14 14 A V E -aB 107 55A 2 41,-1.0 41,-1.7 -2,-0.2 2,-0.3 -0.635 12.2-174.9 -89.0 148.0 -87.6 46.7 39.6 15 15 A K E -aB 108 54A 84 92,-2.0 94,-3.3 -2,-0.2 2,-0.4 -0.908 4.1-166.2-148.9 118.6 -90.4 48.6 37.8 16 16 A V E -a 109 0A 0 37,-2.4 9,-3.0 9,-0.4 2,-0.3 -0.877 3.5-167.8-113.6 138.9 -94.1 48.8 38.6 17 17 A L E -aC 110 24A 34 92,-2.6 94,-2.3 -2,-0.4 2,-0.7 -0.843 20.6-125.5-120.2 155.3 -97.0 50.1 36.4 18 18 A D E >> -aC 111 23A 2 5,-3.1 4,-1.9 -2,-0.3 5,-0.6 -0.843 13.9-171.1-106.8 106.0 -100.7 51.0 37.1 19 19 A A T 45S+ 0 0 0 92,-2.6 445,-1.3 -2,-0.7 446,-0.4 0.776 86.9 47.3 -64.6 -24.7 -103.2 49.2 34.8 20 20 A V T 45S+ 0 0 0 91,-0.2 -1,-0.2 443,-0.2 92,-0.1 0.847 125.0 23.2 -90.8 -32.0 -106.0 51.3 36.1 21 21 A R T 45S- 0 0 44 2,-0.2 544,-0.2 544,-0.0 -2,-0.2 0.473 97.9-123.2-109.7 -4.5 -104.6 54.9 36.0 22 22 A G T <5S+ 0 0 2 -4,-1.9 335,-1.5 1,-0.3 -3,-0.2 0.898 72.0 117.2 63.1 45.9 -101.9 54.4 33.4 23 23 A S E - 0 0 12 4,-1.3 3,-1.2 1,-0.1 -1,-0.1 -0.350 23.7 -99.8 -87.9 172.2 -80.3 30.0 52.3 37 37 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.710 126.5 50.3 -60.8 -16.4 -77.9 27.2 52.5 38 38 A D T 3 S- 0 0 112 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 -0.325 125.3 -94.8-119.6 50.5 -80.7 25.6 54.5 39 39 A D S < S+ 0 0 118 -3,-1.2 2,-0.5 1,-0.2 -2,-0.1 0.733 86.6 135.6 47.2 21.8 -83.8 26.1 52.3 40 40 A T - 0 0 56 -6,-0.1 -4,-1.3 0, 0.0 2,-0.4 -0.899 57.7-128.5-108.1 128.2 -84.4 29.2 54.3 41 41 A W E -M 35 0C 146 -2,-0.5 -6,-0.2 -6,-0.2 28,-0.0 -0.569 28.0-164.7 -71.8 124.6 -85.4 32.5 52.8 42 42 A E E -M 34 0C 101 -8,-1.0 -8,-1.5 -2,-0.4 2,-0.2 -0.814 27.2-102.6-109.4 149.3 -83.1 35.3 54.0 43 43 A P E +M 33 0C 111 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.541 46.5 164.1 -72.0 137.4 -83.8 39.0 53.7 44 44 A F + 0 0 50 -12,-4.9 2,-0.4 -2,-0.2 -11,-0.2 0.717 53.8 3.3-114.9 -75.3 -81.9 40.6 50.9 45 45 A A - 0 0 10 -13,-0.2 -13,-0.6 2,-0.0 2,-0.2 -0.966 54.6-171.6-133.6 123.6 -83.0 44.0 49.6 46 46 A S + 0 0 86 -2,-0.4 2,-0.2 -15,-0.2 -15,-0.2 -0.518 25.0 123.5 -98.5 164.0 -85.8 46.3 50.8 47 47 A G - 0 0 28 -2,-0.2 -17,-2.3 -17,-0.1 2,-0.3 -0.746 44.0-118.1 153.4 159.7 -87.0 49.5 49.1 48 48 A K B -K 29 0B 140 -19,-0.2 2,-0.2 -2,-0.2 -19,-0.2 -0.808 38.6 -96.2-118.7 162.3 -90.0 51.4 47.7 49 49 A T - 0 0 2 -21,-1.0 -22,-2.7 -2,-0.3 6,-0.2 -0.573 37.4-130.9 -84.0 142.5 -90.7 52.6 44.2 50 50 A S - 0 0 50 4,-1.8 -23,-0.4 -2,-0.2 -1,-0.1 0.359 42.1 -79.1 -68.3-158.8 -89.9 56.2 43.2 51 51 A E S S+ 0 0 163 1,-0.2 -1,-0.1 -25,-0.1 -2,-0.1 0.760 135.4 57.6 -76.6 -26.1 -92.0 58.8 41.4 52 52 A S S S- 0 0 41 2,-0.2 -1,-0.2 -29,-0.1 -27,-0.1 0.802 115.0-116.0 -71.6 -34.5 -90.8 56.8 38.4 53 53 A G S S+ 0 0 0 1,-0.4 -37,-2.4 -29,-0.2 2,-0.4 0.540 80.8 124.2 98.9 15.4 -92.2 53.4 39.5 54 54 A E E -B 15 0A 61 -39,-0.2 -4,-1.8 -30,-0.1 2,-0.6 -0.921 50.8-159.7-116.2 135.5 -88.5 52.5 39.7 55 55 A L E -B 14 0A 10 -41,-1.7 -41,-1.0 -2,-0.4 2,-0.3 -0.952 20.4-171.2-115.0 114.0 -86.4 51.1 42.6 56 56 A H + 0 0 98 -2,-0.6 -43,-0.1 1,-0.2 -2,-0.0 -0.722 53.8 22.8-107.6 158.2 -82.7 51.6 42.1 57 57 A G + 0 0 60 -45,-0.4 -1,-0.2 -2,-0.3 3,-0.1 0.986 59.2 148.5 55.0 76.4 -79.7 50.3 44.0 58 58 A L S S- 0 0 16 1,-0.3 2,-0.3 -46,-0.2 -1,-0.1 0.480 71.7 -12.4-112.6 -12.3 -81.0 47.3 45.7 59 59 A T - 0 0 15 -47,-0.1 -1,-0.3 -14,-0.1 2,-0.3 -0.964 66.4-109.1-170.3-178.7 -77.6 45.5 45.5 60 60 A T > - 0 0 70 -2,-0.3 4,-1.6 1,-0.1 -52,-0.1 -0.846 28.7-113.1-126.9 164.2 -74.1 45.5 44.1 61 61 A E T 4 S+ 0 0 115 -2,-0.3 3,-0.4 -54,-0.2 -1,-0.1 0.950 119.1 42.0 -56.5 -59.1 -72.2 43.4 41.6 62 62 A E T 4 S+ 0 0 163 1,-0.2 -1,-0.2 -3,-0.1 -58,-0.0 0.925 116.4 50.1 -56.7 -48.3 -69.9 41.9 44.1 63 63 A Q T 4 S+ 0 0 99 1,-0.1 2,-0.9 2,-0.0 -1,-0.2 0.704 95.0 80.0 -67.3 -21.7 -72.8 41.5 46.6 64 64 A F < + 0 0 12 -4,-1.6 2,-0.3 -3,-0.4 -1,-0.1 -0.807 64.3 170.2 -90.5 105.9 -75.0 39.8 43.9 65 65 A V - 0 0 68 -2,-0.9 34,-0.1 1,-0.1 2,-0.1 -0.745 42.1 -82.6-109.8 163.2 -73.6 36.2 43.9 66 66 A E S S+ 0 0 104 -2,-0.3 2,-0.3 32,-0.3 32,-0.2 -0.385 80.3 89.0 -70.7 146.3 -75.3 33.4 42.0 67 67 A G E S- N 0 97C 20 30,-0.6 30,-0.9 -2,-0.1 2,-0.3 -0.965 80.3 -54.3 161.1-161.6 -78.1 31.6 43.7 68 68 A I E - N 0 96C 40 -2,-0.3 -33,-0.6 28,-0.2 2,-0.3 -0.799 51.9-178.5-106.4 151.1 -81.9 31.9 43.9 69 69 A Y E -LN 34 95C 2 26,-2.2 26,-1.2 -2,-0.3 2,-0.3 -0.855 14.5-139.0-138.2 173.4 -83.5 35.2 45.0 70 70 A K E -LN 33 94C 23 -37,-1.4 -37,-0.9 -2,-0.3 2,-0.3 -0.943 5.7-163.3-136.8 157.7 -87.0 36.5 45.5 71 71 A V E -LN 32 93C 1 22,-1.7 22,-1.5 -2,-0.3 2,-0.4 -0.856 12.3-173.4-145.3 99.0 -88.8 39.7 44.7 72 72 A E E -LN 31 92C 44 -41,-2.3 -41,-1.2 -2,-0.3 2,-0.5 -0.812 3.6-167.9 -96.3 132.8 -92.1 40.2 46.6 73 73 A I E -LN 30 91C 3 18,-1.4 18,-2.8 -2,-0.4 2,-1.7 -0.944 18.0-140.4-126.7 108.3 -94.2 43.3 45.7 74 74 A D >> + 0 0 40 -45,-1.2 4,-0.9 -2,-0.5 3,-0.5 -0.489 31.7 165.3 -69.3 85.5 -97.0 44.0 48.1 75 75 A T H 3> + 0 0 5 -2,-1.7 4,-1.8 1,-0.2 5,-0.3 0.865 66.4 75.4 -70.6 -31.8 -99.8 45.0 45.7 76 76 A K H 3> S+ 0 0 46 13,-1.0 4,-1.3 1,-0.2 -1,-0.2 0.809 96.0 46.8 -46.1 -42.2 -102.3 44.6 48.6 77 77 A S H <> S+ 0 0 70 -3,-0.5 4,-2.1 12,-0.2 5,-0.3 0.938 108.7 54.2 -66.8 -52.6 -101.2 47.9 50.2 78 78 A Y H X S+ 0 0 21 -4,-0.9 4,-1.2 1,-0.2 -2,-0.2 0.898 111.9 42.2 -45.3 -58.4 -101.2 50.0 46.9 79 79 A W H X>S+ 0 0 2 -4,-1.8 5,-2.9 2,-0.2 4,-2.4 0.792 111.7 54.0 -65.2 -36.9 -104.8 49.1 46.0 80 80 A K H <5S+ 0 0 128 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.972 105.9 49.1 -67.5 -53.9 -106.3 49.5 49.5 81 81 A A H <5S+ 0 0 53 -4,-2.1 571,-0.3 1,-0.2 -1,-0.2 0.890 112.9 53.6 -51.5 -37.2 -105.0 53.0 50.2 82 82 A L H <5S- 0 0 13 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.969 125.4-102.9 -60.9 -55.2 -106.5 53.8 46.8 83 83 A G T <5S+ 0 0 27 -4,-2.4 2,-0.4 1,-0.2 -3,-0.2 0.490 81.8 115.0 133.8 28.4 -109.9 52.4 47.6 84 84 A I < - 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