==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 09-JUN-10 3NEX . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.B.B.TRIVELLA,I.POLIKARPOV . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 76.3 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 . 88 37.9 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 . 2 0.9 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 . 30 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.6 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 2 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 . 2 4 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 10 A C 0 0 83 0, 0.0 50,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 99.7 -5.6 -11.8 -6.7 2 11 A P + 0 0 7 0, 0.0 94,-3.1 0, 0.0 2,-0.4 0.558 360.0 43.3 -80.9 -15.3 -7.7 -12.5 -3.5 3 12 A L E +a 96 0A 1 47,-0.2 46,-0.7 92,-0.2 2,-0.3 -0.951 61.8 162.2-140.2 117.6 -4.9 -12.6 -0.9 4 13 A M E -a 97 0A 33 92,-2.5 94,-3.0 -2,-0.4 2,-0.4 -0.969 19.1-155.7-132.4 148.3 -2.0 -10.2 -0.6 5 14 A V E -aB 98 46A 0 41,-2.0 41,-2.3 -2,-0.3 2,-0.4 -0.993 5.9-170.2-127.2 132.1 0.4 -9.5 2.3 6 15 A K E -aB 99 45A 56 92,-2.8 94,-2.8 -2,-0.4 2,-0.4 -0.993 6.7-169.0-124.5 130.4 2.3 -6.3 2.7 7 16 A V E -a 100 0A 0 37,-2.4 9,-2.9 -2,-0.4 2,-0.3 -0.981 1.9-170.8-129.6 127.8 5.1 -6.0 5.4 8 17 A L E -aC 101 15A 73 92,-2.7 94,-2.9 -2,-0.4 2,-0.6 -0.860 20.6-132.5-116.6 151.9 6.8 -2.9 6.6 9 18 A D E >> -aC 102 14A 3 5,-3.4 4,-1.5 -2,-0.3 5,-1.3 -0.915 11.2-165.0-105.1 116.0 9.9 -2.4 8.9 10 19 A A T 45S+ 0 0 48 92,-2.9 93,-0.1 -2,-0.6 -1,-0.1 0.513 86.0 54.3 -78.5 -9.2 9.2 0.3 11.6 11 20 A V T 45S+ 0 0 86 91,-0.4 -1,-0.2 3,-0.1 92,-0.1 0.869 120.1 27.0 -89.7 -44.5 12.9 0.6 12.5 12 21 A R T 45S- 0 0 138 2,-0.1 -2,-0.2 3,-0.0 -1,-0.0 0.623 99.5-126.5 -95.0 -14.2 14.3 1.3 9.0 13 22 A G T <5S+ 0 0 72 -4,-1.5 -3,-0.2 1,-0.3 3,-0.0 0.957 72.8 107.4 66.6 50.6 11.2 2.9 7.6 14 23 A S E - 0 0 15 4,-2.9 3,-2.3 -2,-0.3 -1,-0.1 -0.362 27.0 -97.5 -89.3 173.2 -9.4 -28.7 7.6 28 37 A A T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.862 126.5 51.9 -57.5 -35.7 -12.7 -30.5 8.3 29 38 A D T 3 S- 0 0 111 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.363 120.9-109.3 -82.3 5.4 -10.9 -32.6 10.9 30 39 A D S < S+ 0 0 112 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.630 76.3 123.6 81.3 13.4 -9.5 -29.4 12.5 31 40 A T - 0 0 75 -6,-0.1 -4,-2.9 1,-0.0 2,-0.8 -0.705 67.9-104.4 -98.3 162.1 -5.9 -29.6 11.7 32 41 A W E -J 26 0B 77 -2,-0.2 -6,-0.2 -6,-0.2 28,-0.0 -0.755 35.4-162.3 -85.9 105.5 -3.9 -26.9 9.8 33 42 A E E -J 25 0B 86 -8,-2.3 -8,-2.6 -2,-0.8 2,-0.1 -0.693 28.6-105.1 -88.9 136.2 -3.2 -28.0 6.2 34 43 A P E +J 24 0B 116 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.405 44.4 169.0 -57.9 130.6 -0.5 -26.2 4.2 35 44 A F E - 0 0 24 -12,-3.2 2,-0.3 1,-0.4 -11,-0.2 0.765 54.0 -29.7-115.9 -47.1 -2.2 -23.9 1.7 36 45 A A E -J 23 0B 23 -13,-1.6 -13,-3.7 2,-0.0 -1,-0.4 -0.961 51.5-167.2-165.3 166.9 0.5 -21.6 0.2 37 46 A S E +J 22 0B 73 -2,-0.3 2,-0.3 -15,-0.3 -15,-0.2 -0.979 17.2 135.8-157.7 164.2 3.9 -19.9 0.9 38 47 A G E -J 21 0B 28 -17,-2.0 -17,-2.3 -2,-0.3 2,-0.3 -0.972 39.9-101.8 176.1-176.6 6.3 -17.3 -0.4 39 48 A K E -J 20 0B 125 -2,-0.3 -19,-0.2 -19,-0.2 6,-0.1 -0.966 39.7 -97.7-128.3 152.3 8.5 -14.4 0.6 40 49 A T - 0 0 2 -21,-1.9 -22,-1.5 -2,-0.3 6,-0.2 -0.328 36.7-128.9 -68.4 149.4 8.0 -10.7 0.3 41 50 A S > - 0 0 50 4,-2.5 3,-2.1 -24,-0.2 -23,-0.3 -0.077 41.7 -79.1 -79.3-175.5 9.5 -8.8 -2.7 42 51 A E T 3 S+ 0 0 165 1,-0.3 -25,-0.1 -25,-0.2 -2,-0.1 0.684 134.9 54.9 -59.4 -19.5 11.7 -5.7 -2.7 43 52 A S T 3 S- 0 0 48 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.1 0.331 120.0-111.3 -97.1 8.4 8.4 -3.7 -2.1 44 53 A G S < S+ 0 0 0 -3,-2.1 -37,-2.4 1,-0.3 2,-0.3 0.679 78.0 127.5 73.1 19.2 7.6 -5.9 1.0 45 54 A E E -B 6 0A 51 -39,-0.2 -4,-2.5 -6,-0.1 2,-0.4 -0.809 44.5-165.3-113.9 148.2 4.7 -7.5 -0.9 46 55 A L E +B 5 0A 18 -41,-2.3 -41,-2.0 -2,-0.3 2,-0.2 -0.969 20.9 164.9-132.3 119.1 3.6 -11.1 -1.6 47 56 A H + 0 0 93 -2,-0.4 -43,-0.1 -43,-0.2 -2,-0.0 -0.694 48.3 50.0-118.1 169.0 1.0 -11.7 -4.3 48 57 A G + 0 0 61 -2,-0.2 -1,-0.1 -45,-0.2 -44,-0.1 0.742 59.9 133.4 75.7 22.9 -0.1 -14.8 -6.2 49 58 A L S S- 0 0 17 -46,-0.7 2,-0.3 -3,-0.2 -12,-0.1 0.855 74.8 -8.8 -72.5 -34.1 -0.7 -17.0 -3.1 50 59 A T - 0 0 12 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.867 62.7-117.8-152.9-179.4 -4.0 -18.3 -4.4 51 60 A T > - 0 0 63 -2,-0.3 4,-2.2 -50,-0.1 3,-0.0 -0.853 34.3-109.2-123.8 160.7 -6.9 -17.9 -6.9 52 61 A E T 4 S+ 0 0 137 -2,-0.3 -1,-0.1 1,-0.2 42,-0.1 0.867 118.9 51.0 -56.0 -37.9 -10.5 -17.0 -6.4 53 62 A E T 4 S+ 0 0 149 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.892 115.6 40.1 -70.1 -39.5 -11.5 -20.6 -7.3 54 63 A E T 4 S+ 0 0 93 1,-0.2 2,-2.1 2,-0.1 -1,-0.2 0.772 97.5 80.3 -78.9 -28.6 -9.1 -22.2 -4.8 55 64 A F < + 0 0 8 -4,-2.2 -1,-0.2 3,-0.0 3,-0.1 -0.469 68.3 164.8 -84.3 68.8 -9.7 -19.6 -2.0 56 65 A V - 0 0 77 -2,-2.1 32,-0.1 1,-0.2 34,-0.1 -0.192 47.3 -62.9 -78.0 175.6 -12.9 -21.1 -0.7 57 66 A E S S+ 0 0 122 32,-0.2 2,-0.3 30,-0.1 32,-0.2 -0.270 83.4 101.3 -52.2 139.5 -14.7 -20.4 2.6 58 67 A G E S- L 0 88B 21 30,-1.5 30,-3.0 -3,-0.1 2,-0.5 -0.952 73.2 -70.0 165.3 179.5 -12.6 -21.4 5.6 59 68 A I E - L 0 87B 38 -33,-0.3 -33,-2.9 -2,-0.3 2,-0.3 -0.901 50.3-169.2-100.7 124.7 -10.3 -20.4 8.5 60 69 A Y E -KL 25 86B 0 26,-3.0 26,-2.6 -2,-0.5 2,-0.4 -0.879 11.7-159.5-119.0 147.5 -6.9 -19.4 7.3 61 70 A K E -KL 24 85B 17 -37,-2.6 -37,-2.6 -2,-0.3 2,-0.6 -0.995 2.0-164.9-127.0 128.0 -3.6 -18.7 9.1 62 71 A V E -KL 23 84B 0 22,-2.8 22,-2.0 -2,-0.4 2,-0.6 -0.966 8.3-165.2-108.0 117.7 -0.7 -16.7 7.8 63 72 A E E -KL 22 83B 49 -41,-3.2 -41,-2.1 -2,-0.6 2,-0.5 -0.935 6.9-159.3-103.1 115.2 2.4 -17.3 9.8 64 73 A I E -KL 21 82B 0 18,-3.7 2,-2.3 -2,-0.6 18,-2.2 -0.869 16.1-135.0-100.6 123.0 5.0 -14.6 9.0 65 74 A D > + 0 0 53 -45,-2.7 4,-1.1 -2,-0.5 -45,-0.4 -0.435 44.8 152.4 -79.3 74.0 8.6 -15.5 9.8 66 75 A T H > + 0 0 6 -2,-2.3 4,-2.3 1,-0.2 5,-0.2 0.812 63.3 64.5 -74.6 -29.7 9.5 -12.2 11.5 67 76 A K H > S+ 0 0 56 13,-0.9 4,-3.0 -3,-0.3 5,-0.2 0.941 102.8 46.8 -61.1 -47.3 12.2 -13.8 13.7 68 77 A S H > S+ 0 0 67 12,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.869 109.5 56.5 -61.1 -36.7 14.4 -14.8 10.8 69 78 A Y H X S+ 0 0 17 -4,-1.1 4,-0.7 2,-0.2 -1,-0.2 0.954 113.0 39.0 -58.0 -53.1 14.0 -11.3 9.4 70 79 A W H ><>S+ 0 0 4 -4,-2.3 5,-2.5 1,-0.2 3,-1.2 0.920 112.5 56.3 -64.9 -43.2 15.3 -9.7 12.5 71 80 A K H ><5S+ 0 0 103 -4,-3.0 3,-2.0 1,-0.3 -1,-0.2 0.887 102.2 56.1 -59.6 -38.3 18.0 -12.2 13.1 72 81 A A H 3<5S+ 0 0 92 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.769 106.4 51.9 -65.1 -22.2 19.4 -11.6 9.6 73 82 A L T <<5S- 0 0 65 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.266 126.8-102.6 -92.1 6.7 19.7 -7.9 10.7 74 83 A G T < 5S+ 0 0 69 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.458 82.5 127.3 89.1 1.3 21.6 -8.9 13.9 75 84 A I < - 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