==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 24-JUN-08 3DK0 . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.CENDRON,G.ZANOTTI,C.FOLLI,R.BERNI . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 68.5 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 . 84 36.2 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 . 20 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.0 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 1 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 . 1 3 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 1 0 0 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 99 0, 0.0 50,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 98.8 6.2 11.6 -6.2 2 11 A P + 0 0 9 0, 0.0 94,-3.1 0, 0.0 2,-0.4 0.619 360.0 48.8 -78.5 -14.2 8.9 11.9 -3.5 3 12 A L E +a 96 0A 4 92,-0.2 46,-0.4 47,-0.1 2,-0.3 -0.961 69.3 172.4-130.4 116.2 6.3 12.2 -0.7 4 13 A M E -a 97 0A 66 92,-2.8 94,-2.9 -2,-0.4 2,-0.4 -0.923 11.1-164.7-124.8 146.4 3.4 9.8 -0.4 5 14 A V E -a 98 0A 2 41,-0.3 2,-0.4 -2,-0.3 94,-0.2 -0.987 3.3-172.2-134.4 140.9 0.7 9.3 2.3 6 15 A K E -a 99 0A 77 92,-2.3 94,-2.6 -2,-0.4 2,-0.4 -0.992 5.9-166.6-138.0 127.5 -1.8 6.4 3.0 7 16 A V E -a 100 0A 0 37,-2.2 9,-2.0 -2,-0.4 2,-0.3 -0.945 2.6-168.3-123.4 130.9 -4.6 6.4 5.5 8 17 A L E -aB 101 15A 77 92,-2.2 94,-2.8 -2,-0.4 2,-0.6 -0.916 18.0-136.2-123.0 147.0 -6.7 3.5 6.9 9 18 A D E >> -aB 102 14A 3 5,-3.0 4,-1.2 -2,-0.3 5,-1.2 -0.885 11.5-170.4-102.3 113.7 -9.9 3.2 9.0 10 19 A A T 45S+ 0 0 52 92,-2.6 93,-0.1 -2,-0.6 -1,-0.1 0.463 83.3 54.4 -84.5 -2.5 -9.7 0.5 11.7 11 20 A V T 45S+ 0 0 74 91,-0.3 -1,-0.2 3,-0.1 92,-0.1 0.824 119.4 26.7 -96.3 -42.1 -13.5 0.8 12.5 12 21 A R T 45S- 0 0 142 2,-0.2 -2,-0.2 3,-0.0 -1,-0.0 0.582 101.0-122.9 -98.7 -12.4 -15.0 0.2 9.1 13 22 A G T <5S+ 0 0 71 -4,-1.2 -3,-0.2 1,-0.3 -5,-0.0 0.950 74.3 100.9 67.1 51.7 -12.2 -1.9 7.6 14 23 A S E - 0 0 28 4,-3.2 3,-2.1 -2,-0.3 -1,-0.0 -0.415 29.0-101.2 -91.0 168.9 11.4 28.3 8.5 28 37 A A T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.596 122.9 57.9 -67.4 -13.2 14.5 30.1 9.8 29 38 A D T 3 S- 0 0 114 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.314 121.0-109.4 -93.6 6.7 12.4 31.9 12.4 30 39 A D S < S+ 0 0 115 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.640 79.2 126.9 70.7 19.1 11.3 28.5 13.8 31 40 A T - 0 0 71 -6,-0.0 -4,-3.2 1,-0.0 2,-0.6 -0.630 66.0-108.5 -96.4 162.9 7.7 28.9 12.5 32 41 A W E -H 26 0B 84 -6,-0.2 -6,-0.2 -2,-0.2 28,-0.0 -0.850 32.3-160.8 -94.4 116.2 5.9 26.4 10.3 33 42 A E E -H 25 0B 113 -8,-3.0 -8,-2.9 -2,-0.6 0, 0.0 -0.809 27.5-105.2 -96.6 133.5 5.4 27.5 6.7 34 43 A P E +H 24 0B 88 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.306 45.1 164.5 -52.8 136.2 2.7 26.0 4.4 35 44 A F E - 0 0 55 -12,-2.8 2,-0.3 1,-0.4 -11,-0.2 0.672 56.1 -22.9-124.0 -42.9 4.3 23.6 1.9 36 45 A A E -H 23 0B 23 -13,-1.8 -13,-3.4 14,-0.0 -1,-0.4 -0.973 50.6-172.1-168.6 157.1 1.6 21.4 0.3 37 46 A S E +H 22 0B 81 -2,-0.3 2,-0.3 12,-0.3 -15,-0.2 -0.989 10.9 154.0-156.1 158.7 -1.9 20.0 0.9 38 47 A G E -H 21 0B 30 -17,-2.0 -17,-2.8 -2,-0.3 2,-0.4 -0.944 33.6-107.9-166.9-178.7 -4.5 17.5 -0.6 39 48 A K E -H 20 0B 126 -2,-0.3 8,-0.3 -19,-0.2 -19,-0.2 -0.974 37.0-103.8-129.8 144.0 -7.4 15.1 0.1 40 49 A T - 0 0 2 -21,-2.2 -22,-1.9 -2,-0.4 -34,-0.1 -0.417 31.7-144.9 -71.2 137.8 -7.5 11.3 0.1 41 50 A S > - 0 0 37 4,-2.0 3,-1.8 -24,-0.2 -23,-0.2 -0.033 45.1 -75.0 -80.9-169.1 -9.0 9.4 -2.8 42 51 A E T 3 S+ 0 0 167 1,-0.3 -25,-0.1 -25,-0.1 -2,-0.1 0.669 134.8 56.9 -65.2 -16.9 -11.0 6.2 -2.7 43 52 A S T 3 S- 0 0 39 2,-0.3 -1,-0.3 -29,-0.1 -27,-0.1 0.433 118.9-110.7 -91.5 -2.3 -7.7 4.4 -2.1 44 53 A G S < S+ 0 0 0 -3,-1.8 -37,-2.2 1,-0.2 -28,-0.1 0.639 83.1 111.4 80.6 16.7 -6.8 6.5 1.0 45 54 A E - 0 0 60 -39,-0.2 -4,-2.0 -6,-0.1 2,-0.7 -0.965 63.4-138.5-124.3 137.4 -4.0 8.4 -0.8 46 55 A P - 0 0 10 0, 0.0 3,-0.5 0, 0.0 -41,-0.3 -0.857 31.2-139.2 -90.5 118.6 -3.7 12.0 -1.9 47 56 A H S S+ 0 0 137 -2,-0.7 -8,-0.1 -8,-0.3 -43,-0.1 -0.590 70.9 6.9 -85.2 136.2 -2.0 12.0 -5.3 48 57 A G + 0 0 54 -2,-0.3 -1,-0.2 -45,-0.1 -44,-0.1 0.908 64.1 162.3 68.2 48.5 0.7 14.5 -6.4 49 58 A L - 0 0 18 -3,-0.5 -12,-0.3 -46,-0.4 2,-0.2 0.907 67.1 -20.4 -60.8 -43.7 1.3 16.3 -3.1 50 59 A T - 0 0 14 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.1 -0.805 63.5-113.7-150.5-172.2 4.7 17.6 -4.4 51 60 A T > - 0 0 51 -2,-0.2 4,-2.1 -50,-0.1 3,-0.0 -0.883 29.7-109.0-132.2 166.4 7.6 17.3 -6.9 52 61 A E T 4 S+ 0 0 125 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.828 117.9 52.7 -60.6 -37.2 11.3 16.5 -6.9 53 62 A E T 4 S+ 0 0 157 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.882 115.1 40.1 -67.1 -39.6 12.2 20.1 -7.8 54 63 A E T 4 S+ 0 0 114 1,-0.1 2,-1.6 2,-0.1 -2,-0.2 0.793 94.9 83.7 -81.6 -30.3 10.2 21.5 -4.8 55 64 A F < + 0 0 12 -4,-2.1 -1,-0.1 3,-0.0 3,-0.1 -0.554 62.1 160.5 -84.6 80.8 11.1 18.9 -2.1 56 65 A V - 0 0 76 -2,-1.6 32,-0.1 1,-0.2 -2,-0.1 -0.193 47.9 -61.0 -88.7-179.4 14.4 20.2 -0.8 57 66 A E S S+ 0 0 108 32,-0.2 2,-0.3 33,-0.1 -1,-0.2 -0.300 81.6 97.9 -57.7 148.5 16.3 19.5 2.5 58 67 A G E S- J 0 88B 17 30,-1.4 30,-3.0 -3,-0.1 2,-0.5 -0.915 74.1 -70.0 157.8 179.1 14.5 20.6 5.7 59 68 A I E - J 0 87B 45 -33,-0.3 -33,-2.5 -2,-0.3 2,-0.3 -0.932 52.2-165.5-102.9 125.1 12.3 19.6 8.7 60 69 A Y E -IJ 25 86B 0 26,-3.1 26,-2.0 -2,-0.5 2,-0.4 -0.796 15.0-155.8-116.4 151.4 8.8 18.7 7.6 61 70 A K E -IJ 24 85B 28 -37,-2.6 -37,-2.4 -2,-0.3 2,-0.5 -0.989 5.0-162.9-128.1 124.3 5.4 18.2 9.4 62 71 A V E -IJ 23 84B 1 22,-2.7 22,-1.2 -2,-0.4 2,-0.5 -0.925 10.2-168.3-107.2 126.2 2.5 16.1 8.0 63 72 A E E -IJ 22 83B 42 -41,-3.1 -41,-2.9 -2,-0.5 2,-0.5 -0.960 6.8-161.7-123.7 123.3 -0.9 16.7 9.5 64 73 A I E -IJ 21 82B 3 18,-2.6 2,-2.2 -2,-0.5 18,-1.9 -0.914 20.3-133.8-109.6 121.8 -4.0 14.5 9.0 65 74 A D > + 0 0 46 -45,-2.3 4,-0.8 -2,-0.5 -45,-0.3 -0.425 41.7 156.6 -76.3 74.1 -7.5 16.0 9.8 66 75 A T H > + 0 0 7 -2,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.767 63.3 65.5 -70.3 -27.1 -8.8 13.0 11.8 67 76 A K H > S+ 0 0 56 13,-1.0 4,-1.3 1,-0.2 -1,-0.2 0.894 101.8 45.4 -66.8 -43.8 -11.4 15.1 13.7 68 77 A S H > S+ 0 0 55 12,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.776 110.7 57.7 -69.0 -27.6 -13.5 16.1 10.6 69 78 A Y H X S+ 0 0 17 -4,-0.8 4,-1.0 2,-0.2 -2,-0.2 0.949 107.4 42.8 -68.1 -52.2 -13.4 12.4 9.5 70 79 A W H <>S+ 0 0 4 -4,-1.9 5,-3.0 1,-0.2 -1,-0.2 0.805 113.2 55.3 -66.0 -29.1 -14.9 10.8 12.6 71 80 A K H ><5S+ 0 0 121 -4,-1.3 3,-1.2 3,-0.2 -1,-0.2 0.873 102.2 52.9 -72.8 -40.2 -17.6 13.6 12.8 72 81 A A H 3<5S+ 0 0 94 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.810 110.8 51.2 -62.0 -29.0 -18.9 13.1 9.3 73 82 A L T 3<5S- 0 0 69 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.466 118.6-113.5 -85.4 -5.8 -19.3 9.5 10.2 74 83 A G T < 5S+ 0 0 70 -3,-1.2 2,-0.4 1,-0.3 -3,-0.2 0.824 74.7 127.0 74.1 33.4 -21.2 10.3 13.4 75 84 A I < - 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