==== 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 4I85 . 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) . 11064.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 77.9 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 . 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 74 0, 0.0 50,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 87.1 15.4 30.5 25.5 2 11 A P + 0 0 7 0, 0.0 94,-2.6 0, 0.0 2,-0.4 0.520 360.0 46.5 -86.3 -0.3 13.0 30.1 28.3 3 12 A L E +a 96 0A 1 47,-0.2 46,-0.6 92,-0.2 47,-0.3 -0.945 66.7 165.5-141.3 113.5 15.6 29.8 31.1 4 13 A M E -a 97 0A 29 92,-2.7 94,-2.7 -2,-0.4 2,-0.4 -0.937 19.1-155.8-128.4 155.6 18.6 32.2 31.3 5 14 A V E -aB 98 46A 0 41,-1.6 41,-2.3 -2,-0.3 2,-0.4 -0.995 7.4-174.2-135.9 126.3 21.1 32.9 34.1 6 15 A K E -aB 99 45A 71 92,-2.4 94,-2.2 -2,-0.4 2,-0.4 -1.000 6.9-171.0-123.4 130.4 23.0 36.1 34.5 7 16 A V E -a 100 0A 0 37,-2.4 9,-2.4 -2,-0.4 2,-0.3 -0.978 3.5-168.9-129.7 131.6 25.7 36.5 37.2 8 17 A L E -aC 101 15A 80 92,-2.5 94,-2.5 -2,-0.4 2,-0.5 -0.878 19.4-132.5-114.5 151.7 27.6 39.6 38.3 9 18 A D E >> -aC 102 14A 2 5,-3.4 5,-1.3 -2,-0.3 4,-1.2 -0.934 10.8-165.3-105.3 121.0 30.7 39.9 40.6 10 19 A A T 45S+ 0 0 50 92,-2.9 93,-0.1 -2,-0.5 -1,-0.1 0.431 86.4 52.7 -84.0 -6.6 30.4 42.6 43.3 11 20 A V T 45S+ 0 0 86 91,-0.4 -1,-0.2 3,-0.1 92,-0.1 0.834 120.4 28.9 -93.6 -45.0 34.1 42.6 44.2 12 21 A R T 45S- 0 0 110 2,-0.1 -2,-0.2 3,-0.0 -1,-0.0 0.619 98.8-127.7 -86.1 -21.5 35.5 43.1 40.7 13 22 A G T <5S+ 0 0 68 -4,-1.2 -3,-0.2 1,-0.3 3,-0.0 0.960 72.3 109.6 62.2 57.1 32.5 45.1 39.2 14 23 A S E - 0 0 17 4,-2.8 3,-2.2 -2,-0.3 -1,-0.1 -0.305 29.7 -89.5 -90.9 176.5 11.1 13.9 39.8 28 37 A A T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.783 128.1 49.5 -51.4 -34.9 8.0 11.7 40.5 29 38 A D T 3 S- 0 0 116 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.390 120.6-106.9 -91.4 1.1 9.8 10.1 43.4 30 39 A D S < S+ 0 0 112 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.623 77.9 125.4 79.7 15.8 10.8 13.5 45.0 31 40 A T S S- 0 0 76 -6,-0.1 -4,-2.8 1,-0.0 2,-0.9 -0.616 70.4-102.3 -92.3 164.3 14.5 13.3 44.1 32 41 A W E -J 26 0B 72 -6,-0.2 -6,-0.2 -2,-0.2 28,-0.1 -0.768 38.0-160.8 -87.7 102.9 16.4 16.0 42.2 33 42 A E E -J 25 0B 98 -8,-2.5 -8,-2.9 -2,-0.9 -3,-0.0 -0.684 27.5-107.2 -85.2 128.4 16.9 14.8 38.6 34 43 A P E +J 24 0B 102 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.329 44.1 170.3 -53.3 135.1 19.6 16.5 36.6 35 44 A F E - 0 0 49 -12,-2.9 2,-0.3 1,-0.4 -11,-0.2 0.735 53.3 -28.1-118.3 -47.6 17.9 18.8 34.0 36 45 A A E -J 23 0B 17 -13,-1.6 -13,-3.3 14,-0.0 -1,-0.4 -0.974 52.2-170.9-165.7 160.1 20.5 21.0 32.3 37 46 A S E +J 22 0B 77 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.984 15.8 139.5-153.1 165.9 23.9 22.6 32.9 38 47 A G E -J 21 0B 29 -17,-2.3 -17,-2.5 -2,-0.3 2,-0.3 -0.949 37.5-100.7-179.8-170.4 26.3 25.1 31.4 39 48 A K E -J 20 0B 115 -2,-0.3 8,-0.2 -19,-0.2 -19,-0.2 -0.978 34.2 -99.1-139.9 149.2 28.6 28.0 32.2 40 49 A T - 0 0 2 -21,-1.8 -22,-1.6 -2,-0.3 6,-0.2 -0.422 36.1-136.0 -67.9 149.9 28.5 31.7 32.0 41 50 A S > - 0 0 44 4,-2.4 3,-2.1 -24,-0.2 -23,-0.2 -0.097 41.4 -75.8 -86.7-170.3 30.1 33.5 29.1 42 51 A E T 3 S+ 0 0 143 1,-0.3 -25,-0.1 -25,-0.1 -2,-0.1 0.761 133.9 53.3 -61.9 -25.1 32.3 36.6 29.0 43 52 A S T 3 S- 0 0 55 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.1 0.341 119.4-111.1 -90.7 1.9 29.1 38.7 29.5 44 53 A G S < S+ 0 0 0 -3,-2.1 -37,-2.4 1,-0.3 2,-0.3 0.554 78.8 127.0 79.4 12.3 28.2 36.7 32.6 45 54 A E E -B 6 0A 43 -39,-0.2 -4,-2.4 -6,-0.1 2,-0.5 -0.755 46.8-158.3-112.9 149.2 25.2 35.2 30.8 46 55 A L E +B 5 0A 12 -41,-2.3 -41,-1.6 -2,-0.3 2,-0.3 -0.966 22.1 168.1-127.6 109.8 24.2 31.5 30.3 47 56 A H + 0 0 101 -2,-0.5 -8,-0.1 -8,-0.2 -43,-0.1 -0.760 51.5 43.5-116.3 162.1 21.9 30.9 27.4 48 57 A G + 0 0 64 -2,-0.3 -1,-0.1 -45,-0.2 -44,-0.1 0.719 62.1 134.8 79.7 18.0 20.8 27.7 25.7 49 58 A L S S- 0 0 19 -46,-0.6 2,-0.2 -3,-0.2 -12,-0.2 0.914 75.3 -15.3 -62.5 -43.8 20.2 25.6 28.9 50 59 A T - 0 0 17 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.806 63.4-111.7-150.9-177.7 16.9 24.3 27.6 51 60 A T > - 0 0 67 -2,-0.2 4,-2.4 -50,-0.1 0, 0.0 -0.889 33.6-108.6-125.1 163.9 14.0 24.5 25.1 52 61 A E T 4 S+ 0 0 149 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.885 119.7 50.5 -56.6 -41.1 10.3 25.4 25.3 53 62 A E T 4 S+ 0 0 179 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.929 115.7 38.5 -65.0 -44.0 9.5 21.7 24.7 54 63 A E T 4 S+ 0 0 131 1,-0.2 2,-1.9 2,-0.1 -2,-0.2 0.779 97.0 80.1 -83.8 -24.0 11.7 20.3 27.4 55 64 A F < + 0 0 8 -4,-2.4 -1,-0.2 3,-0.0 3,-0.1 -0.498 68.7 162.6 -85.2 81.2 11.2 23.0 30.0 56 65 A V - 0 0 71 -2,-1.9 32,-0.1 1,-0.2 34,-0.1 -0.292 47.9 -62.1 -88.8 175.9 7.8 21.6 31.3 57 66 A E S S+ 0 0 82 32,-0.2 2,-0.3 30,-0.1 -1,-0.2 -0.204 81.8 105.6 -50.9 143.8 6.0 22.3 34.5 58 67 A G E S- L 0 88B 4 30,-1.6 30,-3.1 -3,-0.1 2,-0.6 -0.955 72.2 -74.7 166.9-179.7 7.8 21.3 37.6 59 68 A I E - L 0 87B 36 -33,-0.3 -33,-3.1 -2,-0.3 2,-0.3 -0.917 52.6-167.8-102.3 122.0 9.9 22.4 40.6 60 69 A Y E -KL 25 86B 0 26,-2.9 26,-2.4 -2,-0.6 2,-0.5 -0.841 17.6-155.7-114.2 149.7 13.4 23.4 39.5 61 70 A K E -KL 24 85B 18 -37,-2.4 -37,-2.7 -2,-0.3 2,-0.7 -0.992 4.9-163.0-122.4 121.1 16.6 24.1 41.4 62 71 A V E -KL 23 84B 0 22,-2.7 22,-1.5 -2,-0.5 2,-0.6 -0.936 10.6-165.4-104.1 111.5 19.2 26.3 39.8 63 72 A E E -KL 22 83B 30 -41,-3.4 -41,-2.8 -2,-0.7 2,-0.6 -0.910 3.1-160.7-103.4 118.8 22.5 25.7 41.5 64 73 A I E -KL 21 82B 0 18,-3.0 18,-2.5 -2,-0.6 2,-2.1 -0.930 18.4-134.4-102.0 122.4 25.1 28.3 40.8 65 74 A D > + 0 0 17 -45,-3.3 4,-2.0 -2,-0.6 -45,-0.4 -0.419 42.7 155.9 -85.9 71.5 28.6 27.1 41.6 66 75 A T H > + 0 0 5 -2,-2.1 4,-2.7 2,-0.2 5,-0.2 0.846 69.4 56.9 -65.9 -37.5 29.9 30.1 43.5 67 76 A K H > S+ 0 0 55 13,-1.4 4,-3.1 -3,-0.2 5,-0.2 0.958 109.6 45.9 -62.5 -49.8 32.5 28.1 45.6 68 77 A S H > S+ 0 0 81 12,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.904 112.9 50.7 -54.0 -44.7 34.1 26.8 42.3 69 78 A Y H X S+ 0 0 17 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.943 114.9 42.0 -59.4 -51.9 34.0 30.4 40.8 70 79 A W H ><>S+ 0 0 3 -4,-2.7 5,-2.4 1,-0.2 3,-0.8 0.907 112.4 52.7 -67.8 -44.5 35.7 32.0 43.8 71 80 A K H ><5S+ 0 0 128 -4,-3.1 3,-1.5 1,-0.2 -1,-0.2 0.873 104.8 57.1 -56.7 -39.3 38.3 29.2 44.3 72 81 A A H 3<5S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.777 106.6 49.8 -61.6 -26.6 39.3 29.6 40.6 73 82 A L T <<5S- 0 0 68 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.258 125.3-105.7 -94.3 2.5 40.0 33.3 41.4 74 83 A G T < 5S+ 0 0 70 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.726 80.5 123.9 86.4 23.3 42.1 32.3 44.4 75 84 A I < - 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