==== 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 4I87 . 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) . 11302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 75.3 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 . 91 39.4 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 . 26 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.1 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 . 1 4 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 55 0, 0.0 3,-0.1 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 113.0 15.4 30.8 26.3 2 11 A P + 0 0 7 0, 0.0 94,-2.8 0, 0.0 2,-0.3 0.573 360.0 40.4 -96.7 -3.1 13.2 30.1 29.3 3 12 A L E +a 96 0A 0 47,-0.2 46,-0.6 92,-0.2 2,-0.3 -0.898 66.3 163.9-146.6 110.4 15.8 29.8 32.1 4 13 A M E -a 97 0A 49 92,-2.5 94,-2.5 -2,-0.3 2,-0.4 -0.892 20.1-154.2-127.1 154.8 18.8 32.1 32.4 5 14 A V E -aB 98 46A 1 41,-1.7 41,-2.6 -2,-0.3 2,-0.4 -0.995 7.7-173.9-129.1 134.6 21.2 32.9 35.2 6 15 A K E -aB 99 45A 58 92,-2.4 94,-2.5 -2,-0.4 2,-0.4 -0.996 7.4-170.4-129.6 132.5 23.2 36.1 35.6 7 16 A V E -a 100 0A 0 37,-2.6 9,-2.7 -2,-0.4 2,-0.3 -0.970 4.7-168.2-130.6 130.6 25.9 36.5 38.3 8 17 A L E -aC 101 15A 78 92,-2.7 94,-2.4 -2,-0.4 2,-0.5 -0.828 18.1-133.2-113.1 156.8 27.8 39.6 39.5 9 18 A D E >> -aC 102 14A 3 5,-3.1 5,-1.3 -2,-0.3 4,-1.2 -0.941 10.0-166.6-116.3 118.6 30.9 39.8 41.8 10 19 A A T 45S+ 0 0 52 92,-2.9 93,-0.2 -2,-0.5 -1,-0.1 0.553 86.2 52.5 -82.1 -11.2 30.7 42.5 44.6 11 20 A V T 45S+ 0 0 93 91,-0.5 -1,-0.2 3,-0.1 92,-0.1 0.780 119.2 31.2 -94.7 -33.1 34.4 42.3 45.4 12 21 A R T 45S- 0 0 155 2,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.569 98.8-128.1 -99.7 -15.6 35.8 42.9 41.9 13 22 A G T <5S+ 0 0 72 -4,-1.2 -3,-0.2 1,-0.3 3,-0.0 0.960 74.6 97.3 62.8 52.5 33.0 45.0 40.6 14 23 A S E - 0 0 0 -9,-2.7 3,-0.5 28,-0.1 2,-0.3 -0.871 42.5-159.1 -92.2 106.2 31.2 36.6 37.9 17 26 A I T 3 + 0 0 48 -2,-0.9 24,-0.2 1,-0.2 25,-0.1 -0.653 60.8 12.4 -95.5 145.2 32.8 34.6 35.1 18 27 A N T 3 S+ 0 0 91 22,-1.6 2,-0.6 -2,-0.3 -1,-0.2 0.823 77.4 160.4 64.7 33.1 33.1 30.9 34.9 19 28 A V < - 0 0 0 -3,-0.5 21,-1.9 22,-0.2 -1,-0.2 -0.785 36.2-132.5 -85.0 125.2 30.6 30.2 37.7 20 29 A A E -J 39 0B 34 -2,-0.6 45,-3.0 45,-0.4 2,-0.4 -0.557 23.3-170.3 -78.6 141.1 29.3 26.6 37.5 21 30 A V E -JK 38 64B 0 17,-2.8 17,-2.1 43,-0.2 2,-0.4 -0.999 5.9-169.6-134.7 128.4 25.5 26.2 37.8 22 31 A H E -JK 37 63B 71 41,-2.4 41,-3.2 -2,-0.4 2,-0.4 -0.986 6.8-158.6-118.8 134.2 23.6 22.9 38.2 23 32 A V E -JK 36 62B 1 13,-3.4 12,-3.0 -2,-0.4 13,-1.8 -0.921 9.7-174.9-113.9 137.7 19.8 22.7 37.9 24 33 A F E -JK 34 61B 38 37,-2.4 37,-2.5 -2,-0.4 2,-0.4 -0.869 12.3-149.2-125.7 158.0 17.8 19.8 39.3 25 34 A R E -JK 33 60B 63 8,-2.5 8,-2.6 -2,-0.3 2,-0.3 -0.994 26.9-113.3-129.5 134.6 14.1 19.0 39.1 26 35 A K E -J 32 0B 65 33,-3.0 33,-0.3 -2,-0.4 6,-0.2 -0.503 37.8-139.9 -70.2 128.6 12.1 17.2 41.9 27 36 A A > - 0 0 9 4,-2.7 3,-3.4 -2,-0.3 -1,-0.1 -0.429 25.9-100.8 -90.9 164.8 11.1 13.8 40.6 28 37 A A T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.772 126.7 55.7 -53.1 -25.9 7.8 12.0 41.1 29 38 A D T 3 S- 0 0 109 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.377 119.7-112.2 -90.1 3.1 9.6 10.0 43.8 30 39 A D S < S+ 0 0 108 -3,-3.4 2,-0.3 1,-0.3 -2,-0.1 0.681 77.5 113.4 77.0 21.8 10.6 13.2 45.6 31 40 A T S S- 0 0 75 -6,-0.1 -4,-2.7 -4,-0.0 2,-0.7 -0.780 74.8 -93.5-113.2 167.5 14.4 13.3 45.0 32 41 A W E -J 26 0B 78 -2,-0.3 -6,-0.2 -6,-0.2 28,-0.1 -0.706 38.5-164.4 -84.7 116.1 16.5 15.8 43.0 33 42 A E E -J 25 0B 99 -8,-2.6 -8,-2.5 -2,-0.7 2,-0.0 -0.820 29.9-105.7 -96.1 136.6 17.1 14.6 39.4 34 43 A P E +J 24 0B 114 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.352 44.7 167.8 -58.5 135.8 19.8 16.3 37.3 35 44 A F E - 0 0 53 -12,-3.0 2,-0.3 1,-0.4 -11,-0.2 0.715 54.3 -26.6-120.4 -43.5 18.1 18.6 34.8 36 45 A A E -J 23 0B 19 -13,-1.8 -13,-3.4 14,-0.0 -1,-0.4 -0.975 51.7-169.5-166.3 159.8 20.7 20.9 33.2 37 46 A S E +J 22 0B 77 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.988 15.8 140.9-154.3 164.2 24.1 22.5 33.9 38 47 A G E -J 21 0B 28 -17,-2.1 -17,-2.8 -2,-0.3 2,-0.3 -0.959 36.8-106.6-176.4-173.3 26.4 25.1 32.5 39 48 A K E -J 20 0B 126 -2,-0.3 -19,-0.2 -19,-0.2 8,-0.2 -0.974 34.7 -99.0-136.9 152.4 28.8 27.9 33.4 40 49 A T - 0 0 1 -21,-1.9 -22,-1.6 -2,-0.3 6,-0.2 -0.378 36.1-132.8 -71.1 150.7 28.7 31.7 33.2 41 50 A S > - 0 0 48 4,-2.1 3,-2.1 -24,-0.2 -23,-0.2 -0.104 40.6 -78.0 -87.5-172.6 30.3 33.6 30.3 42 51 A E T 3 S+ 0 0 138 1,-0.3 -25,-0.1 -25,-0.1 -2,-0.1 0.703 134.3 53.2 -62.1 -20.0 32.6 36.6 30.3 43 52 A S T 3 S- 0 0 54 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.1 0.373 120.0-111.2 -94.5 3.8 29.5 38.7 30.8 44 53 A G S < S+ 0 0 0 -3,-2.1 -37,-2.6 1,-0.3 2,-0.3 0.623 76.9 129.2 79.5 15.1 28.4 36.7 33.8 45 54 A E E -B 6 0A 64 -39,-0.2 -4,-2.1 -6,-0.1 2,-0.5 -0.791 44.4-160.4-112.1 144.9 25.5 35.2 31.9 46 55 A L E +B 5 0A 13 -41,-2.6 -41,-1.7 -2,-0.3 2,-0.3 -0.967 21.3 164.8-124.6 114.9 24.4 31.6 31.4 47 56 A H + 0 0 92 -2,-0.5 -8,-0.1 -8,-0.2 -43,-0.1 -0.769 49.3 45.5-117.4 166.0 22.0 30.8 28.5 48 57 A G + 0 0 64 -2,-0.3 -1,-0.1 2,-0.2 -44,-0.1 0.710 60.3 136.1 78.2 21.1 20.9 27.6 26.8 49 58 A L S S- 0 0 20 -46,-0.6 2,-0.3 -3,-0.2 -12,-0.2 0.924 74.5 -16.1 -62.4 -45.8 20.3 25.5 29.8 50 59 A T - 0 0 16 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.848 65.5-107.8-150.1 179.8 17.0 24.1 28.5 51 60 A T > - 0 0 59 -2,-0.3 4,-2.0 -50,-0.1 -2,-0.0 -0.789 31.5-111.2-117.3 163.2 14.3 24.4 26.0 52 61 A E T 4 S+ 0 0 120 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.921 118.0 51.0 -56.9 -43.9 10.7 25.5 26.2 53 62 A E T 4 S+ 0 0 179 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.905 114.8 40.3 -62.8 -42.3 9.6 21.9 25.4 54 63 A E T 4 S+ 0 0 130 1,-0.2 2,-2.0 2,-0.1 -1,-0.2 0.748 95.4 82.9 -81.5 -20.3 11.7 20.2 28.1 55 64 A F < + 0 0 8 -4,-2.0 -1,-0.2 -3,-0.0 3,-0.1 -0.513 67.4 164.6 -87.1 73.1 11.2 22.9 30.8 56 65 A V - 0 0 73 -2,-2.0 32,-0.1 1,-0.2 34,-0.1 -0.205 46.3 -64.5 -83.2 174.8 7.9 21.5 32.0 57 66 A E S S+ 0 0 80 32,-0.2 2,-0.3 30,-0.1 32,-0.2 -0.295 81.4 101.9 -55.7 141.5 6.0 22.2 35.2 58 67 A G E S- L 0 88B 4 30,-1.5 30,-2.8 -3,-0.1 2,-0.6 -0.956 73.8 -68.9 168.2-177.3 7.8 21.2 38.4 59 68 A I E - L 0 87B 41 -33,-0.3 -33,-3.0 -2,-0.3 2,-0.3 -0.910 52.7-166.6-100.2 121.5 9.9 22.2 41.4 60 69 A Y E -KL 25 86B 0 26,-3.1 26,-2.6 -2,-0.6 2,-0.5 -0.824 15.7-155.7-113.1 148.3 13.4 23.2 40.3 61 70 A K E -KL 24 85B 35 -37,-2.5 -37,-2.4 -2,-0.3 2,-0.7 -0.991 4.8-164.6-119.9 119.8 16.6 23.8 42.2 62 71 A V E -KL 23 84B 0 22,-2.9 22,-1.7 -2,-0.5 2,-0.6 -0.924 10.6-165.1-102.6 113.1 19.2 26.1 40.6 63 72 A E E -KL 22 83B 30 -41,-3.2 -41,-2.4 -2,-0.7 2,-0.6 -0.888 5.2-159.7-106.1 119.2 22.5 25.6 42.5 64 73 A I E -KL 21 82B 1 18,-3.3 18,-2.3 -2,-0.6 2,-2.2 -0.856 18.8-134.9 -99.4 121.2 25.1 28.3 41.9 65 74 A D > + 0 0 19 -45,-3.0 4,-1.9 -2,-0.6 -45,-0.4 -0.404 41.6 158.0 -84.5 73.3 28.6 26.8 42.7 66 75 A T H > + 0 0 5 -2,-2.2 4,-2.6 1,-0.2 5,-0.3 0.846 67.6 55.5 -66.7 -39.0 29.9 29.7 44.8 67 76 A K H > S+ 0 0 60 13,-1.0 4,-2.7 -3,-0.2 -1,-0.2 0.937 108.9 46.8 -62.3 -45.3 32.5 27.8 46.7 68 77 A S H > S+ 0 0 78 12,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.897 112.0 53.6 -63.9 -38.1 34.2 26.5 43.5 69 78 A Y H X S+ 0 0 16 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.956 113.3 40.4 -57.1 -53.0 34.1 30.0 42.1 70 79 A W H ><>S+ 0 0 11 -4,-2.6 5,-2.6 1,-0.2 3,-0.6 0.902 114.0 53.1 -66.4 -41.8 35.9 31.6 45.1 71 80 A K H ><5S+ 0 0 126 -4,-2.7 3,-1.7 -5,-0.3 -1,-0.2 0.873 103.8 55.8 -62.7 -36.5 38.3 28.8 45.5 72 81 A A H 3<5S+ 0 0 91 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.785 106.8 52.0 -66.1 -22.8 39.4 29.0 41.8 73 82 A L T <<5S- 0 0 75 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.376 123.3-110.9 -90.1 2.2 40.1 32.7 42.6 74 83 A G T < 5S+ 0 0 71 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.655 77.8 127.3 80.4 18.1 42.3 31.5 45.6 75 84 A S < - 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