==== 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 3DK2 . 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) . 10976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 79.7 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 . 94 40.5 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 . 3 1.3 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 . 34 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.2 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 . 0 4 0 0 3 0 5 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 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 10 A C 0 0 90 0, 0.0 50,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 78.4 26.1 12.7 -6.6 2 11 A P + 0 0 7 0, 0.0 94,-2.5 0, 0.0 2,-0.4 0.488 360.0 47.6 -86.7 -5.4 28.5 13.1 -3.7 3 12 A L E +a 96 0A 0 92,-0.2 46,-0.7 47,-0.2 47,-0.3 -0.968 64.3 163.6-139.5 124.2 25.7 13.2 -1.1 4 13 A M E -a 97 0A 23 92,-3.7 94,-2.7 -2,-0.4 2,-0.4 -0.965 19.5-151.0-137.3 156.1 22.8 10.7 -0.8 5 14 A V E -aB 98 46A 0 41,-1.5 41,-2.4 -2,-0.3 2,-0.4 -0.989 8.5-171.8-130.5 136.0 20.3 9.9 2.0 6 15 A K E -aB 99 45A 64 92,-3.6 94,-3.2 -2,-0.4 2,-0.4 -0.980 2.6-169.2-136.2 125.0 18.5 6.6 2.6 7 16 A V E -a 100 0A 0 37,-2.6 9,-2.3 -2,-0.4 2,-0.3 -0.933 2.8-174.5-117.1 130.1 15.7 5.9 5.1 8 17 A L E -aC 101 15A 67 92,-2.5 94,-3.2 -2,-0.4 2,-0.7 -0.933 24.5-129.1-122.7 144.5 14.3 2.6 6.3 9 18 A D E >> -aC 102 14A 1 5,-3.4 4,-1.8 -2,-0.3 5,-1.1 -0.848 13.9-165.3 -95.6 113.0 11.3 1.8 8.5 10 19 A A T 45S+ 0 0 48 92,-2.7 93,-0.2 -2,-0.7 -1,-0.1 0.570 87.8 51.0 -74.5 -10.5 12.5 -0.7 11.2 11 20 A V T 45S+ 0 0 87 91,-0.5 -1,-0.2 3,-0.1 92,-0.1 0.862 120.4 27.9 -94.0 -48.6 8.9 -1.4 12.0 12 21 A R T 45S- 0 0 133 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.651 99.0-129.4 -89.3 -12.7 7.4 -2.2 8.6 13 22 A G T <5S+ 0 0 69 -4,-1.8 -3,-0.2 1,-0.2 -5,-0.0 0.965 70.6 109.7 61.3 50.7 10.7 -3.4 7.2 14 23 A S E - 0 0 1 4,-4.2 3,-1.6 -2,-0.8 4,-0.2 -0.252 16.3-116.2 -59.3 146.8 28.2 28.9 8.5 28 37 A A T 3 S+ 0 0 101 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.718 120.3 56.9 -55.3 -24.6 31.5 30.7 9.0 29 38 A D T 3 S- 0 0 105 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.219 127.8-102.2-100.2 37.1 29.7 32.7 11.7 30 39 A D S < S+ 0 0 127 -3,-1.6 2,-0.3 1,-0.2 -2,-0.2 0.780 85.2 120.6 42.2 47.2 28.8 29.4 13.4 31 40 A T S S- 0 0 63 -4,-0.2 -4,-4.2 -6,-0.1 2,-0.9 -0.803 70.7 -95.2-124.7 170.7 25.2 29.4 12.2 32 41 A W E -J 26 0B 75 -2,-0.3 -6,-0.2 -6,-0.2 28,-0.0 -0.766 33.6-160.8-100.5 108.1 23.4 26.8 10.1 33 42 A E E -J 25 0B 79 -8,-3.5 -8,-3.6 -2,-0.9 -1,-0.0 -0.647 22.9-121.4 -83.4 120.2 23.3 27.5 6.4 34 43 A P E +J 24 0B 106 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.381 38.0 169.3 -54.2 139.6 20.6 25.7 4.4 35 44 A F E - 0 0 40 -12,-3.4 2,-0.3 1,-0.5 -11,-0.2 0.653 52.5 -25.6-127.4 -38.6 22.2 23.7 1.7 36 45 A A E -J 23 0B 23 -13,-1.5 -13,-2.9 14,-0.0 -1,-0.5 -0.974 52.9-178.1-169.7 174.8 19.8 21.3 0.1 37 46 A S E +J 22 0B 76 -2,-0.3 2,-0.3 12,-0.2 -15,-0.2 -0.972 12.1 141.1-179.8 163.3 16.5 19.4 0.7 38 47 A G E -J 21 0B 26 -17,-1.8 -17,-3.1 -2,-0.3 2,-0.3 -0.924 43.3 -91.5 164.5 173.9 14.0 17.0 -0.8 39 48 A K E -J 20 0B 139 -2,-0.3 -19,-0.3 -19,-0.2 6,-0.1 -0.862 43.5-101.7-114.4 147.5 11.8 14.1 0.1 40 49 A T - 0 0 1 -21,-2.6 -22,-1.6 -2,-0.3 6,-0.2 -0.290 37.0-127.3 -67.7 156.4 12.7 10.4 -0.2 41 50 A S > - 0 0 50 4,-2.0 3,-3.7 -24,-0.2 -22,-0.2 -0.284 39.7 -75.7 -92.1 179.5 11.4 8.3 -3.1 42 51 A E T 3 S+ 0 0 155 1,-0.3 -25,-0.1 -25,-0.2 -2,-0.1 0.738 134.6 50.2 -42.9 -36.1 9.5 5.0 -3.4 43 52 A S T 3 S- 0 0 52 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.2 0.251 119.7-110.2 -92.3 8.3 12.8 3.3 -2.5 44 53 A G S < S+ 0 0 0 -3,-3.7 -37,-2.6 -29,-0.2 2,-0.4 0.695 80.4 121.6 71.8 18.7 13.4 5.5 0.5 45 54 A E E -B 6 0A 39 -39,-0.2 -4,-2.0 -30,-0.1 2,-0.5 -0.894 50.1-154.9-120.4 147.2 16.3 7.2 -1.2 46 55 A L E +B 5 0A 19 -41,-2.4 -41,-1.5 -2,-0.4 3,-0.2 -0.972 22.5 175.0-120.6 113.2 17.0 10.9 -2.0 47 56 A H + 0 0 102 -2,-0.5 -43,-0.1 -43,-0.2 -2,-0.0 -0.676 53.7 40.0-113.6 168.6 19.4 11.5 -4.9 48 57 A G + 0 0 64 -2,-0.2 -1,-0.2 -45,-0.1 -44,-0.1 0.773 65.7 142.7 66.2 27.8 20.5 14.6 -6.7 49 58 A L S S- 0 0 19 -46,-0.7 -12,-0.2 -3,-0.2 2,-0.2 0.954 70.8 -17.2 -62.2 -55.5 20.8 16.6 -3.4 50 59 A T - 0 0 10 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.613 67.7-111.4-135.0-165.8 23.9 18.6 -4.5 51 60 A T > - 0 0 72 -2,-0.2 4,-1.7 -50,-0.1 3,-0.4 -0.887 30.6-108.9-129.2 164.8 26.8 18.5 -7.0 52 61 A E T 4 S+ 0 0 136 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.917 118.8 55.7 -58.6 -38.1 30.5 17.9 -6.6 53 62 A E T 4 S+ 0 0 182 1,-0.2 -1,-0.2 -3,-0.0 3,-0.1 0.823 115.5 35.1 -65.8 -29.7 31.1 21.6 -7.3 54 63 A E T 4 S+ 0 0 95 -3,-0.4 2,-1.6 1,-0.2 -1,-0.2 0.617 96.7 84.2-104.4 -9.1 28.9 22.8 -4.5 55 64 A F < + 0 0 7 -4,-1.7 -1,-0.2 -3,-0.1 2,-0.1 -0.518 66.5 165.9 -91.1 72.7 29.6 20.1 -1.9 56 65 A V - 0 0 73 -2,-1.6 32,-0.2 1,-0.2 34,-0.1 -0.476 44.4 -71.0 -88.3 163.3 32.7 21.7 -0.5 57 66 A E S S+ 0 0 113 32,-0.3 2,-0.3 -2,-0.1 32,-0.2 0.000 82.6 88.8 -39.1 148.0 34.6 20.9 2.7 58 67 A G E S- L 0 88B 18 30,-1.1 30,-3.3 -3,-0.1 2,-0.5 -0.895 77.2 -52.2 145.3-173.5 32.9 21.9 5.9 59 68 A I E - L 0 87B 46 -33,-0.3 -33,-3.4 -2,-0.3 2,-0.3 -0.855 51.7-167.2-104.3 125.4 30.5 20.8 8.6 60 69 A Y E -KL 25 86B 0 26,-4.7 26,-3.1 -2,-0.5 2,-0.4 -0.851 14.4-156.7-120.6 154.3 27.1 19.5 7.6 61 70 A K E -KL 24 85B 17 -37,-2.3 -37,-3.0 -2,-0.3 2,-0.5 -0.996 5.9-164.5-128.4 117.5 23.8 18.7 9.2 62 71 A V E -KL 23 84B 0 22,-3.2 22,-2.5 -2,-0.4 2,-0.5 -0.931 7.9-168.5-105.7 119.8 21.3 16.3 7.8 63 72 A E E -KL 22 83B 32 -41,-3.1 -41,-3.1 -2,-0.5 2,-0.6 -0.954 5.9-165.9-115.7 119.3 17.8 16.5 9.3 64 73 A I E -KL 21 82B 1 18,-1.3 2,-1.9 -2,-0.5 18,-1.7 -0.924 21.4-135.8-103.9 114.2 15.2 13.8 8.6 65 74 A D > + 0 0 25 -45,-2.8 4,-0.8 -2,-0.6 -45,-0.4 -0.515 39.7 159.9 -75.8 86.8 11.7 14.9 9.5 66 75 A T H > + 0 0 7 -2,-1.9 4,-1.7 1,-0.2 5,-0.3 0.673 62.5 67.7 -84.8 -17.5 10.6 11.6 11.2 67 76 A K H > S+ 0 0 62 13,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.898 102.4 46.1 -69.7 -37.3 7.8 13.2 13.2 68 77 A S H > S+ 0 0 72 12,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.840 109.9 57.7 -69.6 -32.7 5.8 13.8 10.0 69 78 A Y H X S+ 0 0 19 -4,-0.8 4,-0.8 2,-0.2 -2,-0.2 0.966 108.8 39.7 -63.4 -61.5 6.5 10.3 8.8 70 79 A W H ><>S+ 0 0 3 -4,-1.7 5,-2.9 2,-0.2 3,-0.8 0.881 113.4 55.5 -55.9 -44.0 5.1 8.2 11.6 71 80 A K H ><5S+ 0 0 115 -4,-1.4 3,-2.9 1,-0.3 -1,-0.2 0.956 104.6 52.4 -58.7 -50.1 2.1 10.5 12.1 72 81 A A H 3<5S+ 0 0 88 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.724 106.0 56.8 -53.8 -25.9 1.1 10.1 8.4 73 82 A L T <<5S- 0 0 74 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.396 131.8 -96.1 -85.6 -1.7 1.3 6.3 9.1 74 83 A G T < 5S+ 0 0 69 -3,-2.9 -3,-0.2 1,-0.3 2,-0.2 0.638 91.5 113.1 91.3 19.0 -1.2 6.8 11.9 75 84 A I < - 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