==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 08-JUN-10 3NEE . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.B.B.TRIVELLA,I.POLIKARPOV . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 77.5 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 . 88 38.1 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 . 2 4 0 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 2 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 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 82 0, 0.0 50,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 137.1 -26.9 12.5 6.4 2 11 A P + 0 0 11 0, 0.0 94,-2.7 0, 0.0 2,-0.4 0.482 360.0 52.5 -78.2 -3.6 -29.4 12.5 3.6 3 12 A L E +a 96 0A 0 47,-0.2 46,-0.6 92,-0.2 2,-0.3 -0.947 61.7 165.9-139.3 117.8 -26.7 12.7 0.9 4 13 A M E -a 97 0A 31 92,-2.7 94,-2.9 -2,-0.4 2,-0.4 -0.965 18.3-154.6-128.5 146.1 -23.7 10.3 0.7 5 14 A V E -aB 98 46A 0 41,-1.9 41,-2.2 -2,-0.3 2,-0.4 -0.981 9.0-173.9-121.6 132.0 -21.3 9.7 -2.2 6 15 A K E -aB 99 45A 58 92,-2.7 94,-2.6 -2,-0.4 2,-0.4 -0.997 5.2-169.7-128.7 128.7 -19.4 6.5 -2.7 7 16 A V E -a 100 0A 0 37,-2.7 9,-2.7 -2,-0.4 2,-0.3 -0.972 1.7-170.3-127.7 128.5 -16.7 6.1 -5.3 8 17 A L E -aC 101 15A 75 92,-2.7 94,-2.9 -2,-0.4 2,-0.6 -0.878 20.1-133.1-116.6 152.1 -15.0 3.0 -6.5 9 18 A D E >> -aC 102 14A 3 5,-3.2 4,-1.6 -2,-0.3 5,-1.4 -0.913 11.7-165.9-105.9 115.8 -11.9 2.4 -8.8 10 19 A A T 45S+ 0 0 48 92,-2.9 93,-0.1 -2,-0.6 -1,-0.1 0.498 85.0 56.4 -80.9 -8.5 -12.6 -0.3 -11.5 11 20 A V T 45S+ 0 0 87 91,-0.4 -1,-0.2 3,-0.1 92,-0.1 0.875 120.5 25.2 -86.1 -46.5 -8.9 -0.6 -12.4 12 21 A R T 45S- 0 0 134 2,-0.1 -2,-0.2 3,-0.0 -1,-0.0 0.616 99.7-125.1 -94.5 -15.1 -7.6 -1.4 -9.0 13 22 A G T <5S+ 0 0 71 -4,-1.6 -3,-0.2 1,-0.3 -5,-0.0 0.954 73.0 109.4 67.1 51.5 -10.8 -2.9 -7.4 14 23 A S E - 0 0 0 -9,-2.7 3,-0.5 28,-0.2 2,-0.3 -0.873 39.6-154.2 -95.3 108.7 -11.3 5.7 -4.8 17 26 A I T 3 + 0 0 72 -2,-0.8 24,-0.2 1,-0.2 25,-0.2 -0.609 61.6 8.8 -92.5 142.7 -9.6 7.6 -2.0 18 27 A N T 3 S+ 0 0 92 22,-1.9 2,-0.5 -2,-0.3 -1,-0.2 0.802 78.3 160.5 61.9 34.9 -9.2 11.4 -1.7 19 28 A V < - 0 0 2 -3,-0.5 21,-2.1 22,-0.2 -1,-0.2 -0.779 38.6-127.6 -86.0 126.0 -11.5 12.2 -4.6 20 29 A A E -J 39 0B 29 -2,-0.5 45,-3.0 45,-0.4 2,-0.4 -0.497 25.9-169.1 -76.0 140.7 -12.8 15.8 -4.4 21 30 A V E -JK 38 64B 0 17,-2.9 17,-2.1 43,-0.2 2,-0.4 -0.999 5.5-168.6-134.2 127.8 -16.6 16.2 -4.7 22 31 A H E -JK 37 63B 75 41,-2.5 41,-3.3 -2,-0.4 2,-0.4 -0.976 5.8-159.6-120.6 130.1 -18.4 19.5 -5.2 23 32 A V E -JK 36 62B 2 13,-3.8 12,-3.1 -2,-0.4 13,-1.7 -0.923 10.2-177.8-112.9 137.4 -22.2 19.8 -4.7 24 33 A F E -JK 34 61B 40 37,-2.5 37,-2.6 -2,-0.4 2,-0.4 -0.891 13.4-150.5-127.5 155.9 -24.3 22.7 -6.2 25 34 A R E -JK 33 60B 67 8,-2.5 8,-2.5 -2,-0.3 2,-0.3 -0.999 26.3-114.9-129.5 134.8 -28.0 23.5 -6.1 26 35 A K E -J 32 0B 67 33,-3.0 33,-0.3 -2,-0.4 6,-0.2 -0.490 34.1-142.4 -72.1 125.5 -29.9 25.3 -8.8 27 36 A A > - 0 0 12 4,-3.2 3,-2.1 -2,-0.3 -1,-0.1 -0.294 28.7 -97.2 -80.6 171.4 -31.1 28.8 -7.6 28 37 A A T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.773 126.1 54.9 -59.5 -26.2 -34.4 30.5 -8.4 29 38 A D T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.232 121.2-108.0 -93.3 12.7 -32.5 32.4 -11.2 30 39 A D S < S+ 0 0 115 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.520 77.8 127.4 75.8 7.7 -31.3 29.2 -12.8 31 40 A T - 0 0 67 -6,-0.0 -4,-3.2 1,-0.0 2,-0.7 -0.613 66.1-108.9 -88.6 157.5 -27.6 29.5 -11.7 32 41 A W E -J 26 0B 84 -6,-0.2 -6,-0.2 -2,-0.2 28,-0.1 -0.791 34.1-162.6 -85.7 109.7 -25.6 26.8 -9.9 33 42 A E E -J 25 0B 102 -8,-2.5 -8,-2.5 -2,-0.7 2,-0.1 -0.766 28.5-106.0 -93.0 133.6 -25.0 27.9 -6.3 34 43 A P E +J 24 0B 115 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.415 43.4 170.9 -58.8 132.0 -22.2 26.1 -4.3 35 44 A F E - 0 0 36 -12,-3.1 2,-0.3 1,-0.4 -11,-0.2 0.768 54.1 -34.0-113.0 -48.9 -24.0 23.8 -1.8 36 45 A A E -J 23 0B 23 -13,-1.7 -13,-3.8 2,-0.0 -1,-0.4 -0.967 50.9-164.6-168.4 166.2 -21.3 21.7 -0.2 37 46 A S E +J 22 0B 75 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.977 17.0 140.2-156.1 163.3 -18.0 19.9 -0.8 38 47 A G E -J 21 0B 28 -17,-2.1 -17,-2.9 -2,-0.3 2,-0.3 -0.965 38.0-101.7-177.3-173.1 -15.6 17.3 0.5 39 48 A K E -J 20 0B 113 -2,-0.3 -19,-0.2 -19,-0.2 6,-0.1 -0.985 37.2 -98.3-134.0 151.2 -13.3 14.5 -0.4 40 49 A T - 0 0 5 -21,-2.1 -22,-1.9 -2,-0.3 6,-0.2 -0.347 36.5-132.1 -68.0 146.3 -13.7 10.8 -0.2 41 50 A S > - 0 0 51 4,-2.7 3,-2.0 -24,-0.2 -23,-0.2 -0.033 40.7 -78.6 -80.5-173.7 -12.3 8.8 2.7 42 51 A E T 3 S+ 0 0 166 1,-0.3 -25,-0.1 -25,-0.2 -2,-0.1 0.717 134.8 53.3 -62.3 -20.4 -10.1 5.7 2.8 43 52 A S T 3 S- 0 0 48 2,-0.2 -1,-0.3 -27,-0.1 -27,-0.1 0.335 120.1-111.5 -95.7 5.3 -13.4 3.7 2.2 44 53 A G S < S+ 0 0 0 -3,-2.0 -37,-2.7 1,-0.3 2,-0.3 0.662 78.3 127.3 74.3 17.8 -14.2 5.9 -0.9 45 54 A E E -B 6 0A 47 -39,-0.2 -4,-2.7 -6,-0.1 2,-0.4 -0.787 46.3-160.7-111.8 149.0 -17.1 7.5 1.0 46 55 A L E +B 5 0A 14 -41,-2.2 -41,-1.9 -2,-0.3 2,-0.2 -0.965 21.3 171.5-131.8 112.6 -18.1 11.1 1.7 47 56 A H + 0 0 110 -2,-0.4 -43,-0.1 -43,-0.2 -2,-0.0 -0.639 51.0 41.8-110.4 166.1 -20.5 11.6 4.5 48 57 A G + 0 0 61 -2,-0.2 -1,-0.1 2,-0.1 -44,-0.1 0.620 61.5 135.7 73.8 16.3 -21.7 14.8 6.3 49 58 A L S S- 0 0 15 -46,-0.6 2,-0.3 -3,-0.2 -12,-0.1 0.860 74.6 -11.5 -62.8 -34.8 -22.2 16.9 3.2 50 59 A T - 0 0 9 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.831 63.3-116.1-153.6-177.2 -25.6 18.2 4.4 51 60 A T > - 0 0 66 -2,-0.3 4,-2.1 -50,-0.1 3,-0.1 -0.874 33.2-107.4-129.5 162.7 -28.4 17.9 6.8 52 61 A E T 4 S+ 0 0 143 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.833 119.4 50.5 -54.0 -36.8 -32.1 17.2 6.7 53 62 A E T 4 S+ 0 0 147 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.876 115.6 39.7 -71.6 -40.7 -32.9 20.8 7.4 54 63 A E T 4 S+ 0 0 93 1,-0.2 2,-2.0 -3,-0.1 -2,-0.2 0.792 96.3 79.9 -81.6 -30.3 -30.7 22.2 4.7 55 64 A F < + 0 0 8 -4,-2.1 -1,-0.2 3,-0.0 3,-0.1 -0.513 65.8 162.4 -85.2 71.6 -31.3 19.6 2.0 56 65 A V - 0 0 73 -2,-2.0 32,-0.1 1,-0.2 34,-0.1 -0.228 49.6 -62.0 -82.1 178.0 -34.6 21.0 0.8 57 66 A E S S+ 0 0 120 32,-0.2 2,-0.3 30,-0.1 -1,-0.2 -0.279 83.0 106.2 -54.9 143.8 -36.3 20.3 -2.6 58 67 A G E S- L 0 88B 15 30,-1.4 30,-2.9 -3,-0.1 2,-0.6 -0.944 72.5 -73.9 166.4 179.0 -34.3 21.4 -5.6 59 68 A I E - L 0 87B 39 -33,-0.3 -33,-3.0 -2,-0.3 2,-0.3 -0.925 51.4-167.3-102.9 123.6 -32.1 20.4 -8.5 60 69 A Y E -KL 25 86B 0 26,-3.1 26,-2.5 -2,-0.6 2,-0.4 -0.858 13.9-156.1-115.1 147.4 -28.7 19.3 -7.3 61 70 A K E -KL 24 85B 26 -37,-2.6 -37,-2.5 -2,-0.3 2,-0.6 -0.992 2.3-165.8-122.5 126.7 -25.4 18.7 -9.1 62 71 A V E -KL 23 84B 0 22,-2.7 22,-3.0 -2,-0.4 2,-0.6 -0.950 9.1-167.9-109.8 113.9 -22.7 16.4 -7.7 63 72 A E E -KL 22 83B 44 -41,-3.3 -41,-2.5 -2,-0.6 2,-0.5 -0.913 2.7-162.1-109.3 116.4 -19.5 16.9 -9.5 64 73 A I E -KL 21 82B 0 18,-3.2 2,-2.2 -2,-0.6 18,-2.2 -0.886 19.0-133.5-103.4 124.4 -16.8 14.3 -8.8 65 74 A D > + 0 0 43 -45,-3.0 4,-1.2 -2,-0.5 -45,-0.4 -0.442 44.0 154.5 -81.2 75.2 -13.3 15.3 -9.7 66 75 A T H > + 0 0 5 -2,-2.2 4,-2.4 1,-0.2 5,-0.2 0.817 64.0 63.8 -71.8 -31.1 -12.3 12.1 -11.5 67 76 A K H > S+ 0 0 54 13,-1.0 4,-2.6 -3,-0.2 5,-0.2 0.938 103.7 46.5 -64.0 -44.3 -9.6 13.8 -13.7 68 77 A S H > S+ 0 0 55 12,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.865 110.2 56.0 -63.8 -35.4 -7.5 14.8 -10.7 69 78 A Y H X S+ 0 0 22 -4,-1.2 4,-0.7 2,-0.2 -2,-0.2 0.958 112.6 39.5 -58.2 -53.2 -7.9 11.3 -9.3 70 79 A W H ><>S+ 0 0 4 -4,-2.4 5,-2.5 1,-0.2 3,-1.1 0.911 111.9 56.6 -67.5 -39.4 -6.5 9.6 -12.4 71 80 A K H ><5S+ 0 0 108 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.870 102.5 56.0 -60.3 -37.8 -3.8 12.2 -13.0 72 81 A A H 3<5S+ 0 0 88 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.742 106.3 51.5 -67.9 -21.1 -2.4 11.5 -9.5 73 82 A L T <<5S- 0 0 80 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.256 126.5-102.5 -94.5 7.7 -2.1 7.9 -10.5 74 83 A G T < 5S+ 0 0 68 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.497 82.6 127.2 87.5 6.9 -0.2 8.9 -13.7 75 84 A I < - 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