==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 26-DEC-12 4IKI . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.T.R.LIMA,I.POLIKARPOV . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 76.6 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 . 93 40.3 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 . 30 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.1 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 . 0 5 1 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 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 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 72 0, 0.0 50,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 102.4 -15.8 11.9 -38.6 2 11 A P + 0 0 17 0, 0.0 94,-2.9 0, 0.0 2,-0.4 0.638 360.0 38.5 -81.3 -14.4 -13.6 12.6 -35.6 3 12 A L E +a 96 0A 0 47,-0.2 46,-0.7 92,-0.2 47,-0.3 -0.951 67.0 162.8-139.3 116.1 -16.2 12.9 -32.8 4 13 A M E -a 97 0A 45 92,-2.5 94,-2.9 -2,-0.4 2,-0.4 -0.935 22.9-146.2-133.9 156.1 -19.3 10.7 -32.6 5 14 A V E -aB 98 46A 1 41,-1.9 41,-2.2 -2,-0.3 2,-0.4 -0.964 9.0-170.2-126.8 134.1 -21.7 9.9 -29.8 6 15 A K E -aB 99 45A 62 92,-2.6 94,-2.0 -2,-0.4 2,-0.4 -0.994 6.0-171.8-128.9 124.9 -23.5 6.6 -29.2 7 16 A V E -a 100 0A 0 37,-2.8 9,-2.9 -2,-0.4 2,-0.3 -0.976 1.6-171.1-124.3 126.7 -26.4 6.3 -26.6 8 17 A L E -aC 101 15A 73 92,-2.8 94,-2.9 -2,-0.4 2,-0.6 -0.890 20.7-134.2-110.4 144.0 -28.1 3.1 -25.5 9 18 A D E >> -aC 102 14A 2 5,-3.3 4,-1.7 -2,-0.3 5,-1.5 -0.911 12.7-166.4 -95.1 115.6 -31.3 2.7 -23.3 10 19 A A T 45S+ 0 0 49 92,-2.7 93,-0.1 -2,-0.6 -1,-0.1 0.491 85.6 54.5 -81.1 -6.7 -30.6 0.0 -20.6 11 20 A V T 45S+ 0 0 82 91,-0.4 -1,-0.2 3,-0.1 92,-0.1 0.799 119.7 29.2 -91.2 -41.9 -34.4 -0.2 -19.6 12 21 A R T 45S- 0 0 159 2,-0.2 -2,-0.2 3,-0.0 -1,-0.0 0.644 97.7-127.2 -97.6 -13.0 -35.6 -0.9 -23.2 13 22 A G T <5S+ 0 0 73 -4,-1.7 -3,-0.2 1,-0.3 -5,-0.0 0.941 74.5 105.5 69.4 48.6 -32.6 -2.7 -24.7 14 23 A S E - 0 0 0 -9,-2.9 3,-0.6 28,-0.2 2,-0.2 -0.852 41.0-153.2 -91.5 107.8 -31.6 6.0 -27.1 17 26 A I T 3 + 0 0 67 -2,-0.8 24,-0.2 1,-0.2 25,-0.2 -0.582 61.8 6.6 -95.7 141.8 -33.3 8.0 -30.0 18 27 A N T 3 S+ 0 0 111 22,-1.6 2,-0.4 23,-0.2 -1,-0.2 0.775 77.5 163.4 63.1 34.7 -33.5 11.8 -30.3 19 28 A V < - 0 0 1 -3,-0.6 21,-2.0 22,-0.2 -1,-0.2 -0.734 37.0-127.3 -81.0 131.1 -31.2 12.5 -27.3 20 29 A A E -J 39 0B 20 -2,-0.4 45,-2.8 45,-0.4 2,-0.4 -0.508 26.9-169.7 -81.4 142.3 -30.0 16.1 -27.4 21 30 A V E -JK 38 64B 0 17,-3.0 17,-2.0 43,-0.2 2,-0.5 -0.993 7.6-170.1-134.1 130.8 -26.2 16.5 -27.1 22 31 A H E -JK 37 63B 70 41,-2.5 41,-3.7 -2,-0.4 2,-0.4 -0.974 7.1-161.4-121.8 129.6 -24.2 19.8 -26.6 23 32 A V E -JK 36 62B 1 13,-3.5 12,-3.4 -2,-0.5 13,-1.9 -0.916 8.7-174.2-110.0 138.9 -20.5 19.9 -26.9 24 33 A F E -JK 34 61B 37 37,-2.5 37,-2.4 -2,-0.4 2,-0.4 -0.896 13.5-148.2-125.4 161.0 -18.4 22.7 -25.4 25 34 A R E -JK 33 60B 67 8,-2.9 8,-3.2 -2,-0.3 2,-0.4 -0.971 26.2-116.6-132.1 134.8 -14.7 23.5 -25.7 26 35 A K E -J 32 0B 68 33,-2.9 33,-0.3 -2,-0.4 6,-0.2 -0.606 35.2-147.6 -75.3 125.4 -12.8 25.2 -22.8 27 36 A A > - 0 0 15 4,-3.6 3,-1.9 -2,-0.4 -1,-0.0 -0.400 28.0 -97.5 -89.7 175.9 -11.6 28.7 -24.1 28 37 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.908 124.1 58.8 -62.9 -40.9 -8.3 30.5 -23.1 29 38 A D T 3 S- 0 0 116 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.285 122.1-109.5 -68.9 12.5 -10.2 32.7 -20.6 30 39 A D S < S+ 0 0 113 -3,-1.9 2,-0.2 1,-0.2 -2,-0.1 0.618 78.3 122.1 68.8 14.1 -11.3 29.3 -18.9 31 40 A T - 0 0 72 -6,-0.0 -4,-3.6 1,-0.0 2,-0.8 -0.622 68.6-102.2-102.0 168.1 -15.0 29.3 -19.9 32 41 A W E -J 26 0B 70 -6,-0.2 -6,-0.2 -2,-0.2 28,-0.0 -0.804 34.9-160.9 -90.7 110.3 -17.0 26.8 -21.9 33 42 A E E -J 25 0B 99 -8,-3.2 -8,-2.9 -2,-0.8 0, 0.0 -0.772 28.1-105.6 -93.1 138.0 -17.6 27.9 -25.3 34 43 A P E +J 24 0B 106 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.298 44.8 169.6 -59.0 127.4 -20.4 26.2 -27.4 35 44 A F E - 0 0 31 -12,-3.4 2,-0.3 1,-0.5 -11,-0.2 0.713 53.4 -29.9-113.9 -43.4 -18.7 23.9 -29.9 36 45 A A E -J 23 0B 22 -13,-1.9 -13,-3.5 14,-0.0 -1,-0.5 -0.959 52.4-166.6-169.8 162.8 -21.3 21.8 -31.6 37 46 A S E +J 22 0B 78 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.969 16.0 142.6-157.9 159.2 -24.7 20.2 -30.9 38 47 A G E -J 21 0B 25 -17,-2.0 -17,-3.0 -2,-0.3 2,-0.4 -0.977 38.6-100.3-176.2-177.7 -27.0 17.6 -32.3 39 48 A K E -J 20 0B 133 -2,-0.3 -19,-0.2 -19,-0.2 6,-0.1 -0.988 36.1-108.2-126.1 141.8 -29.5 14.9 -31.7 40 49 A T - 0 0 1 -21,-2.0 -22,-1.6 -2,-0.4 6,-0.2 -0.319 37.6-133.7 -66.0 151.2 -29.1 11.0 -31.8 41 50 A S > - 0 0 49 4,-2.4 3,-2.2 -24,-0.2 -23,-0.2 -0.091 39.0 -72.0 -90.5-166.4 -30.7 9.3 -34.7 42 51 A E T 3 S+ 0 0 171 1,-0.3 -25,-0.1 -25,-0.2 -2,-0.1 0.689 135.2 52.4 -57.8 -25.5 -32.9 6.1 -35.0 43 52 A S T 3 S- 0 0 49 2,-0.2 -1,-0.3 -27,-0.1 -27,-0.1 0.357 119.5-111.0 -96.9 5.6 -29.7 4.1 -34.3 44 53 A G S < S+ 0 0 0 -3,-2.2 -37,-2.8 1,-0.3 2,-0.3 0.592 79.9 124.1 73.6 14.6 -28.9 6.1 -31.1 45 54 A E E -B 6 0A 56 -39,-0.2 -4,-2.4 -6,-0.1 2,-0.4 -0.749 47.5-159.1-112.0 153.7 -25.9 7.7 -32.9 46 55 A L E +B 5 0A 16 -41,-2.2 -41,-1.9 -2,-0.3 2,-0.2 -0.972 21.8 168.1-132.8 117.5 -24.8 11.3 -33.6 47 56 A H + 0 0 90 -2,-0.4 -43,-0.1 -43,-0.2 -2,-0.0 -0.660 50.0 43.5-119.3 172.4 -22.4 12.0 -36.4 48 57 A G + 0 0 63 -2,-0.2 -1,-0.1 2,-0.1 -44,-0.1 0.774 62.7 138.6 64.1 25.9 -21.1 15.1 -38.3 49 58 A L S S- 0 0 21 -46,-0.7 2,-0.2 -3,-0.2 -12,-0.2 0.911 73.9 -13.7 -63.8 -43.6 -20.7 17.2 -35.1 50 59 A T - 0 0 17 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.842 65.9-112.8-148.8-178.7 -17.4 18.6 -36.3 51 60 A T > - 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