==== 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 4IKL . 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) . 11197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 78.8 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 . 32 13.9 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 6.1 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 62 0, 0.0 3,-0.1 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 102.4 -15.7 11.7 -38.7 2 11 A P + 0 0 14 0, 0.0 94,-3.2 0, 0.0 2,-0.4 0.656 360.0 35.8 -82.1 -18.7 -13.5 12.5 -35.7 3 12 A L E +a 96 0A 1 47,-0.2 46,-0.6 92,-0.2 2,-0.4 -0.928 66.5 159.4-134.8 103.2 -16.2 12.8 -33.0 4 13 A M E -a 97 0A 30 92,-2.6 94,-2.0 -2,-0.4 2,-0.4 -0.996 23.7-147.8-127.9 145.0 -19.3 10.6 -33.0 5 14 A V E -aB 98 46A 2 41,-1.7 41,-2.5 -2,-0.4 2,-0.4 -0.847 8.0-167.3-105.6 136.3 -21.7 9.8 -30.0 6 15 A K E -aB 99 45A 85 92,-2.7 94,-2.9 -2,-0.4 2,-0.4 -0.998 7.1-172.0-129.0 127.8 -23.6 6.5 -29.4 7 16 A V E -a 100 0A 0 37,-2.6 9,-2.4 -2,-0.4 2,-0.3 -0.978 2.9-171.2-126.5 131.1 -26.3 6.1 -26.8 8 17 A L E -aC 101 15A 77 92,-2.4 94,-2.5 -2,-0.4 2,-0.6 -0.868 20.4-133.7-117.3 156.7 -28.2 3.0 -25.6 9 18 A D E >> -aC 102 14A 2 5,-3.2 5,-1.3 -2,-0.3 4,-1.3 -0.943 11.2-166.2-112.4 111.2 -31.3 2.7 -23.4 10 19 A A T 45S+ 0 0 50 92,-2.8 93,-0.2 -2,-0.6 -1,-0.1 0.530 86.6 54.5 -78.8 -9.1 -30.7 -0.0 -20.7 11 20 A V T 45S+ 0 0 82 91,-0.5 -1,-0.2 3,-0.1 92,-0.1 0.841 119.5 29.1 -85.6 -42.7 -34.5 -0.1 -19.8 12 21 A R T 45S- 0 0 137 2,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.509 98.9-128.0 -97.5 -9.9 -35.8 -0.8 -23.4 13 22 A G T <5S+ 0 0 76 -4,-1.3 -3,-0.2 1,-0.2 -5,-0.0 0.922 74.5 103.3 58.1 47.3 -32.7 -2.7 -24.8 14 23 A S E - 0 0 0 -9,-2.4 3,-0.5 28,-0.2 2,-0.2 -0.852 39.9-154.8 -92.6 107.4 -31.7 5.9 -27.3 17 26 A I T 3 + 0 0 57 -2,-0.8 24,-0.2 1,-0.2 25,-0.1 -0.577 62.9 9.6 -93.3 146.9 -33.3 7.9 -30.1 18 27 A N T 3 S+ 0 0 112 22,-1.5 2,-0.6 1,-0.2 -1,-0.2 0.800 77.8 163.0 56.7 35.6 -33.6 11.8 -30.4 19 28 A V < - 0 0 0 -3,-0.5 21,-1.9 22,-0.2 -1,-0.2 -0.754 36.5-130.3 -83.2 122.8 -31.2 12.4 -27.5 20 29 A A E -J 39 0B 21 -2,-0.6 45,-2.8 45,-0.4 2,-0.4 -0.531 25.6-169.8 -74.8 141.0 -30.0 16.0 -27.6 21 30 A V E -JK 38 64B 0 17,-2.9 17,-2.1 43,-0.2 2,-0.4 -0.999 7.1-168.1-135.7 129.5 -26.2 16.4 -27.3 22 31 A H E -JK 37 63B 73 41,-2.4 41,-3.4 -2,-0.4 2,-0.4 -0.981 6.4-159.3-121.2 128.3 -24.2 19.6 -26.8 23 32 A V E -JK 36 62B 1 13,-3.5 12,-3.2 -2,-0.4 13,-1.7 -0.911 10.5-176.7-109.3 135.1 -20.5 19.9 -27.3 24 33 A F E -JK 34 61B 37 37,-2.6 37,-2.7 -2,-0.4 2,-0.4 -0.904 12.6-150.7-126.5 154.9 -18.4 22.6 -25.7 25 34 A R E -JK 33 60B 70 8,-2.6 8,-2.7 -2,-0.3 2,-0.4 -0.989 27.3-112.0-126.8 136.1 -14.7 23.5 -25.9 26 35 A K E -J 32 0B 65 33,-3.0 33,-0.3 -2,-0.4 6,-0.2 -0.532 36.1-145.5 -69.5 119.9 -12.6 25.3 -23.2 27 36 A A > - 0 0 11 4,-3.2 3,-2.0 -2,-0.4 -1,-0.0 -0.318 28.5 -99.1 -79.6 168.9 -11.6 28.7 -24.5 28 37 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.784 125.7 56.4 -59.2 -29.7 -8.3 30.6 -23.6 29 38 A D T 3 S- 0 0 108 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.225 121.9-109.1 -85.2 12.8 -10.2 32.6 -21.0 30 39 A D S < S+ 0 0 110 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.597 77.7 127.7 66.3 17.0 -11.3 29.2 -19.3 31 40 A T - 0 0 70 -6,-0.0 -4,-3.2 1,-0.0 2,-0.9 -0.702 66.9-108.1 -96.4 154.3 -15.0 29.5 -20.3 32 41 A W E -J 26 0B 78 -2,-0.3 -6,-0.2 -6,-0.2 28,-0.1 -0.736 35.7-163.5 -81.2 106.4 -17.0 26.8 -22.1 33 42 A E E -J 25 0B 106 -8,-2.7 -8,-2.6 -2,-0.9 2,-0.0 -0.744 29.3-103.7 -88.7 136.6 -17.6 27.9 -25.7 34 43 A P E +J 24 0B 112 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.364 44.3 170.9 -54.7 132.7 -20.3 26.2 -27.7 35 44 A F E - 0 0 48 -12,-3.2 2,-0.3 1,-0.4 -11,-0.2 0.740 54.4 -31.3-116.2 -43.6 -18.6 23.8 -30.2 36 45 A A E -J 23 0B 22 -13,-1.7 -13,-3.5 14,-0.0 -1,-0.4 -0.960 53.0-167.9-170.8 158.4 -21.3 21.7 -31.9 37 46 A S E +J 22 0B 76 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.980 16.0 136.8-154.1 169.4 -24.6 20.1 -31.2 38 47 A G E -J 21 0B 29 -17,-2.1 -17,-2.9 -2,-0.3 2,-0.3 -0.975 39.7 -94.2 176.3-168.9 -27.1 17.6 -32.5 39 48 A K E -J 20 0B 129 -2,-0.3 -19,-0.2 -19,-0.2 6,-0.1 -0.988 36.7-105.7-137.9 142.0 -29.5 14.7 -31.8 40 49 A T - 0 0 2 -21,-1.9 -22,-1.5 -2,-0.3 6,-0.2 -0.370 37.6-131.9 -67.1 150.1 -29.1 10.9 -31.9 41 50 A S > - 0 0 51 4,-2.2 3,-2.4 -24,-0.2 -22,-0.2 -0.177 39.5 -76.0 -89.7-176.1 -30.7 9.1 -34.9 42 51 A E T 3 S+ 0 0 169 1,-0.3 -25,-0.1 -25,-0.1 -2,-0.1 0.774 134.7 54.2 -49.5 -31.0 -33.0 6.0 -35.0 43 52 A S T 3 S- 0 0 57 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.1 0.454 118.5-112.3 -87.1 -1.1 -29.7 4.0 -34.5 44 53 A G S < S+ 0 0 0 -3,-2.4 -37,-2.6 1,-0.3 2,-0.3 0.558 78.7 124.4 80.6 10.8 -28.8 6.0 -31.3 45 54 A E E -B 6 0A 49 -39,-0.2 -4,-2.2 -6,-0.1 2,-0.4 -0.735 47.2-159.5-108.8 150.5 -25.8 7.5 -33.1 46 55 A L E +B 5 0A 13 -41,-2.5 -41,-1.7 -2,-0.3 2,-0.2 -0.969 21.2 167.0-131.4 116.2 -24.8 11.1 -33.8 47 56 A H + 0 0 93 -2,-0.4 -43,-0.1 -43,-0.2 -2,-0.0 -0.675 50.0 43.8-119.3 169.5 -22.3 11.8 -36.6 48 57 A G + 0 0 63 -2,-0.2 -1,-0.1 2,-0.1 -44,-0.1 0.691 61.4 135.6 69.9 21.6 -21.2 14.9 -38.4 49 58 A L S S- 0 0 21 -46,-0.6 2,-0.2 -3,-0.2 -12,-0.2 0.895 75.0 -11.4 -64.1 -40.1 -20.7 17.1 -35.3 50 59 A T - 0 0 23 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.834 64.2-114.4-150.1 179.9 -17.3 18.4 -36.5 51 60 A T > - 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