==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN/INHIBITOR 03-DEC-12 4I89 . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.ZANOTTI,L.CENDRON,C.FOLLI,P.FLORIO,B.P.IMBIMBO,R.BERNI . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 77.1 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 . 31 13.4 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 86 0, 0.0 3,-0.1 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 108.6 15.7 31.3 25.5 2 11 A P + 0 0 14 0, 0.0 94,-2.8 0, 0.0 2,-0.3 0.574 360.0 37.5 -87.5 -12.7 13.4 30.5 28.5 3 12 A L E +a 96 0A 0 47,-0.2 46,-0.6 92,-0.2 2,-0.3 -0.895 65.4 166.4-146.1 112.2 16.1 30.3 31.3 4 13 A M E -a 97 0A 29 92,-2.6 94,-2.9 -2,-0.3 2,-0.4 -0.925 18.1-154.2-127.0 149.7 19.1 32.6 31.5 5 14 A V E -aB 98 46A 0 41,-1.7 41,-2.4 -2,-0.3 2,-0.4 -0.975 8.1-172.4-125.7 137.2 21.5 33.2 34.3 6 15 A K E -aB 99 45A 59 92,-2.4 94,-2.3 -2,-0.4 2,-0.4 -0.999 3.9-168.5-130.8 133.2 23.6 36.4 34.8 7 16 A V E -a 100 0A 0 37,-2.4 9,-2.6 -2,-0.4 2,-0.3 -0.987 1.8-171.2-130.3 131.4 26.3 36.8 37.4 8 17 A L E -aC 101 15A 68 92,-2.7 94,-2.7 -2,-0.4 2,-0.6 -0.898 19.8-133.3-118.7 150.4 28.1 40.0 38.6 9 18 A D E >> -aC 102 14A 3 5,-3.3 4,-1.6 -2,-0.3 5,-1.2 -0.901 11.3-167.8-105.4 115.8 31.1 40.5 40.8 10 19 A A T 45S+ 0 0 51 92,-2.8 93,-0.1 -2,-0.6 -1,-0.1 0.514 85.9 56.4 -81.8 -9.8 30.6 43.2 43.5 11 20 A V T 45S+ 0 0 91 91,-0.4 -1,-0.2 3,-0.1 92,-0.1 0.869 120.6 26.1 -83.3 -44.6 34.3 43.3 44.4 12 21 A R T 45S- 0 0 147 2,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.621 98.0-126.8 -92.0 -19.5 35.6 44.1 40.9 13 22 A G T <5S+ 0 0 71 -4,-1.6 -3,-0.2 1,-0.3 -5,-0.0 0.947 74.0 103.3 63.5 50.8 32.6 45.8 39.4 14 23 A S E - 0 0 0 -9,-2.6 3,-0.5 28,-0.2 -9,-0.2 -0.848 40.3-158.1 -94.1 105.5 31.6 37.2 36.9 17 26 A I T 3 + 0 0 91 -2,-0.9 24,-0.2 1,-0.2 25,-0.2 -0.555 60.3 13.0 -94.0 149.7 33.2 35.2 34.1 18 27 A N T 3 S+ 0 0 96 22,-1.6 2,-0.5 1,-0.2 -1,-0.2 0.806 78.0 159.6 62.9 32.1 33.6 31.4 33.9 19 28 A V < - 0 0 1 -3,-0.5 21,-1.9 22,-0.2 -1,-0.2 -0.772 38.4-128.6 -87.8 124.9 31.2 30.6 36.7 20 29 A A E -J 39 0B 38 -2,-0.5 45,-2.9 45,-0.4 2,-0.4 -0.517 25.8-170.6 -73.9 142.0 29.9 27.1 36.7 21 30 A V E -JK 38 64B 0 17,-2.7 17,-2.2 43,-0.2 2,-0.4 -0.999 6.0-170.9-136.7 128.5 26.1 26.7 36.9 22 31 A H E -JK 37 63B 68 41,-2.4 41,-3.2 -2,-0.4 2,-0.4 -0.982 6.6-159.7-121.6 134.1 24.1 23.5 37.4 23 32 A V E -JK 36 62B 1 13,-3.5 12,-2.9 -2,-0.4 13,-1.6 -0.921 9.1-174.8-115.7 142.1 20.3 23.2 37.1 24 33 A F E -JK 34 61B 39 37,-2.3 37,-2.5 -2,-0.4 2,-0.4 -0.904 12.6-150.5-131.1 156.4 18.2 20.4 38.6 25 34 A R E -JK 33 60B 64 8,-2.5 8,-2.4 -2,-0.3 2,-0.4 -0.996 27.1-115.0-128.9 133.6 14.5 19.6 38.5 26 35 A K E -J 32 0B 69 33,-2.7 33,-0.3 -2,-0.4 6,-0.2 -0.530 36.9-146.2 -70.1 123.3 12.6 17.8 41.3 27 36 A A > - 0 0 14 4,-2.7 3,-2.0 -2,-0.4 -1,-0.0 -0.278 28.9 -94.7 -86.1 176.9 11.5 14.4 39.9 28 37 A A T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.862 126.3 55.9 -58.9 -37.5 8.3 12.4 40.8 29 38 A D T 3 S- 0 0 112 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.424 119.7-111.8 -78.4 -0.3 10.2 10.5 43.4 30 39 A D S < S+ 0 0 107 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.573 76.4 119.5 83.9 13.3 11.2 13.8 45.1 31 40 A T S S- 0 0 76 -6,-0.1 -4,-2.7 1,-0.0 2,-0.9 -0.588 71.6 -97.6 -99.4 170.2 14.9 13.8 44.4 32 41 A W E -J 26 0B 73 -6,-0.2 -6,-0.2 -2,-0.2 28,-0.0 -0.776 38.9-164.0 -92.6 104.4 16.9 16.4 42.4 33 42 A E E -J 25 0B 96 -8,-2.4 -8,-2.5 -2,-0.9 0, 0.0 -0.678 28.8-104.5 -88.3 136.5 17.5 15.2 38.8 34 43 A P E +J 24 0B 116 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.309 44.3 168.1 -57.1 135.8 20.2 16.9 36.7 35 44 A F E - 0 0 36 -12,-2.9 2,-0.3 1,-0.4 -11,-0.2 0.723 54.3 -26.6-120.3 -44.1 18.5 19.2 34.1 36 45 A A E -J 23 0B 20 -13,-1.6 -13,-3.5 14,-0.0 -1,-0.4 -0.967 52.1-169.8-166.3 158.8 21.1 21.4 32.5 37 46 A S E +J 22 0B 78 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.985 15.2 139.9-153.7 163.6 24.5 23.0 33.1 38 47 A G E -J 21 0B 30 -17,-2.2 -17,-2.7 -2,-0.3 2,-0.3 -0.956 38.4-101.2-175.2-170.1 26.9 25.5 31.7 39 48 A K E -J 20 0B 127 -2,-0.3 -19,-0.2 -19,-0.2 6,-0.1 -0.985 37.0-101.7-135.5 146.9 29.4 28.3 32.5 40 49 A T - 0 0 4 -21,-1.9 -22,-1.6 -2,-0.3 6,-0.2 -0.360 35.3-131.8 -69.2 149.5 29.1 32.1 32.3 41 50 A S > - 0 0 39 4,-2.4 3,-2.3 -24,-0.2 -23,-0.2 -0.129 39.7 -80.5 -85.1-176.0 30.6 33.9 29.4 42 51 A E T 3 S+ 0 0 148 1,-0.3 -25,-0.1 -25,-0.2 -2,-0.1 0.717 133.8 55.6 -63.7 -18.0 32.8 37.0 29.4 43 52 A S T 3 S- 0 0 43 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.1 0.419 119.2-114.1 -89.2 0.7 29.6 39.1 29.8 44 53 A G S < S+ 0 0 0 -3,-2.3 -37,-2.4 1,-0.3 2,-0.3 0.551 77.4 126.2 77.6 11.4 28.8 37.0 32.9 45 54 A E E -B 6 0A 49 -39,-0.2 -4,-2.4 -6,-0.1 2,-0.5 -0.738 47.1-158.5-105.7 148.6 25.8 35.6 31.0 46 55 A L E +B 5 0A 14 -41,-2.4 -41,-1.7 -2,-0.3 2,-0.2 -0.963 20.9 170.6-126.6 111.9 24.8 31.9 30.5 47 56 A H + 0 0 101 -2,-0.5 -43,-0.1 -43,-0.2 -2,-0.0 -0.715 51.2 41.3-111.4 166.1 22.4 31.3 27.6 48 57 A G + 0 0 63 -2,-0.2 -1,-0.1 2,-0.1 -44,-0.1 0.684 60.7 136.9 74.8 19.7 21.2 28.1 25.9 49 58 A L S S- 0 0 16 -46,-0.6 2,-0.3 -3,-0.2 -12,-0.2 0.901 75.3 -11.6 -60.3 -42.2 20.7 26.0 29.1 50 59 A T - 0 0 13 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.864 65.1-113.0-150.5 177.9 17.4 24.6 27.8 51 60 A T > - 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