==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 21-FEB-06 2G3X . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.PASQUATO,C.FOLLI,R.BERNI,G.ZANOTTI . 230 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 39.6 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 . 28 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 0 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 2 1 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 69 0, 0.0 50,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 105.0 15.2 30.9 23.6 2 11 A P + 0 0 7 0, 0.0 94,-3.1 0, 0.0 2,-0.4 0.589 360.0 41.1 -83.4 -14.2 12.9 30.3 26.6 3 12 A L E +a 96 0A 2 47,-0.2 46,-0.7 92,-0.2 2,-0.3 -0.936 65.6 162.6-141.7 116.9 15.6 30.1 29.4 4 13 A M E -a 97 0A 47 92,-2.6 94,-2.6 -2,-0.4 2,-0.4 -0.934 20.0-152.5-131.4 153.5 18.7 32.3 29.6 5 14 A V E -aB 98 46A 2 41,-1.6 41,-2.4 -2,-0.3 2,-0.4 -0.988 7.8-173.0-129.6 136.9 21.2 33.1 32.3 6 15 A K E -aB 99 45A 72 92,-2.4 94,-2.7 -2,-0.4 2,-0.4 -0.996 7.0-167.7-129.1 133.5 23.2 36.3 32.8 7 16 A V E -a 100 0A 0 37,-2.3 9,-2.8 -2,-0.4 2,-0.3 -0.986 2.3-168.5-130.6 133.6 25.9 36.7 35.5 8 17 A L E -aC 101 15A 75 92,-2.6 94,-2.6 -2,-0.4 2,-0.6 -0.892 17.5-136.3-119.9 149.4 27.7 39.8 36.7 9 18 A D E >> -aC 102 14A 2 5,-3.2 4,-1.4 -2,-0.3 5,-1.3 -0.915 10.8-168.6-107.4 113.5 30.8 40.2 38.9 10 19 A A T 45S+ 0 0 52 92,-2.6 93,-0.2 -2,-0.6 -1,-0.1 0.572 84.8 55.1 -78.7 -11.4 30.4 43.0 41.6 11 20 A V T 45S+ 0 0 94 91,-0.5 -1,-0.2 3,-0.1 92,-0.1 0.850 120.8 27.1 -88.1 -38.8 34.1 43.0 42.5 12 21 A R T 45S- 0 0 127 2,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.566 100.1-126.7-100.1 -11.2 35.5 43.6 39.1 13 22 A G T <5S+ 0 0 71 -4,-1.4 -3,-0.2 1,-0.2 -5,-0.0 0.952 72.4 100.9 64.1 51.6 32.5 45.4 37.6 14 23 A S E - 0 0 0 -9,-2.8 3,-0.5 28,-0.2 2,-0.3 -0.835 39.5-154.5 -92.7 108.1 31.2 36.8 34.9 17 26 A I T 3 + 0 0 41 -2,-0.9 24,-0.2 1,-0.2 25,-0.2 -0.611 61.4 5.8 -91.6 143.2 32.8 34.8 32.1 18 27 A N T 3 S+ 0 0 103 22,-1.4 2,-0.4 23,-0.3 -1,-0.2 0.826 79.4 161.2 59.5 36.9 33.0 31.0 31.7 19 28 A V < - 0 0 2 -3,-0.5 21,-1.9 22,-0.2 2,-0.3 -0.754 38.3-126.3 -89.3 131.3 30.8 30.3 34.7 20 29 A A E -J 39 0B 18 -2,-0.4 45,-2.6 45,-0.4 2,-0.4 -0.592 26.8-168.9 -78.6 137.5 29.4 26.8 34.8 21 30 A V E -JK 38 64B 0 17,-2.8 17,-2.0 -2,-0.3 2,-0.4 -0.996 5.5-168.0-131.1 131.3 25.6 26.6 35.2 22 31 A H E -JK 37 63B 72 41,-2.7 41,-3.2 -2,-0.4 2,-0.4 -0.965 2.9-163.5-120.7 136.8 23.5 23.5 35.9 23 32 A V E -JK 36 62B 2 13,-3.0 12,-2.6 -2,-0.4 13,-1.7 -0.972 9.1-177.0-121.2 134.0 19.7 23.3 35.6 24 33 A F E -JK 34 61B 38 37,-2.4 37,-2.3 -2,-0.4 2,-0.4 -0.881 14.5-148.3-125.9 158.8 17.6 20.5 37.2 25 34 A R E -JK 33 60B 82 8,-2.6 8,-2.7 -2,-0.3 2,-0.2 -0.996 27.2-114.1-128.9 132.6 13.9 19.7 37.2 26 35 A K E -J 32 0B 63 33,-2.8 33,-0.3 -2,-0.4 6,-0.2 -0.471 33.7-145.5 -70.0 130.5 12.1 18.0 40.1 27 36 A A > - 0 0 25 4,-3.3 3,-1.8 -2,-0.2 -1,-0.1 -0.356 27.6 -98.3 -90.5 172.6 10.8 14.5 39.2 28 37 A A T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.864 123.2 55.4 -58.0 -39.6 7.7 12.7 40.4 29 38 A D T 3 S- 0 0 112 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.339 121.8-106.8 -78.7 8.9 9.6 10.8 43.1 30 39 A D S < S+ 0 0 109 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.534 80.5 126.3 79.7 8.5 10.8 14.1 44.5 31 40 A T - 0 0 69 -6,-0.0 -4,-3.3 1,-0.0 2,-0.7 -0.583 66.1-107.7 -94.6 160.8 14.4 13.7 43.2 32 41 A W E -J 26 0B 76 -6,-0.2 -6,-0.2 -2,-0.2 28,-0.1 -0.803 31.8-159.8 -94.2 117.1 16.2 16.3 41.0 33 42 A E E -J 25 0B 112 -8,-2.7 -8,-2.6 -2,-0.7 0, 0.0 -0.775 26.6-107.3 -96.5 133.7 16.6 15.2 37.4 34 43 A P E +J 24 0B 91 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.311 42.4 168.2 -57.5 139.4 19.3 16.8 35.2 35 44 A F E - 0 0 49 -12,-2.6 2,-0.3 1,-0.4 -11,-0.2 0.698 54.6 -30.6-119.8 -50.4 17.7 19.2 32.6 36 45 A A E -J 23 0B 18 -13,-1.7 -13,-3.0 14,-0.0 -1,-0.4 -0.981 51.3-173.7-166.4 161.9 20.4 21.3 30.9 37 46 A S E +J 22 0B 79 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.987 14.0 139.3-159.4 162.9 23.8 22.8 31.5 38 47 A G E -J 21 0B 25 -17,-2.0 -17,-2.8 -2,-0.3 2,-0.3 -0.955 40.2 -92.1-178.5-168.6 26.4 25.1 30.0 39 48 A K E -J 20 0B 123 -2,-0.3 -19,-0.2 -19,-0.2 6,-0.1 -0.986 37.5-105.5-133.4 144.3 28.9 28.0 30.5 40 49 A T - 0 0 2 -21,-1.9 -22,-1.4 -2,-0.3 6,-0.2 -0.312 34.4-129.1 -67.5 150.1 28.6 31.8 30.2 41 50 A S > - 0 0 49 4,-2.4 3,-1.7 -24,-0.2 -23,-0.3 -0.054 39.8 -80.1 -84.6-171.0 30.1 33.6 27.3 42 51 A E T 3 S+ 0 0 136 1,-0.3 -25,-0.1 -25,-0.2 -2,-0.1 0.674 133.6 54.8 -67.6 -16.8 32.4 36.6 27.2 43 52 A S T 3 S- 0 0 49 2,-0.2 -1,-0.3 -27,-0.1 -27,-0.1 0.383 120.6-111.1 -95.7 2.2 29.3 38.8 27.7 44 53 A G S < S+ 0 0 0 -3,-1.7 -37,-2.3 1,-0.3 2,-0.3 0.600 78.3 126.2 78.8 13.3 28.4 36.8 30.8 45 54 A E E -B 6 0A 63 -39,-0.2 -4,-2.4 -6,-0.1 2,-0.5 -0.768 46.4-159.2-110.1 150.4 25.4 35.2 29.0 46 55 A L E +B 5 0A 14 -41,-2.4 -41,-1.6 -2,-0.3 2,-0.2 -0.958 21.3 168.7-128.9 110.9 24.3 31.6 28.5 47 56 A H + 0 0 95 -2,-0.5 -43,-0.1 -43,-0.2 -2,-0.0 -0.684 50.8 43.2-114.0 170.3 21.8 30.9 25.6 48 57 A G + 0 0 65 -2,-0.2 -1,-0.1 2,-0.1 -44,-0.1 0.737 61.5 136.9 67.9 26.7 20.6 27.8 24.0 49 58 A L S S- 0 0 21 -46,-0.7 2,-0.3 -3,-0.2 -12,-0.2 0.866 74.1 -14.9 -70.5 -36.5 20.1 25.7 27.2 50 59 A T - 0 0 20 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.870 64.6-112.3-153.6-176.7 16.7 24.3 26.0 51 60 A T > - 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