==== 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 09-JUN-10 3NES . 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) . 11001.0 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 . 90 39.0 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 . 2 0.9 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 . 34 14.7 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 . 1 5 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 87 0, 0.0 50,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-155.8 -5.8 11.8 6.9 2 11 A P + 0 0 4 0, 0.0 94,-3.2 0, 0.0 2,-0.4 0.506 360.0 43.0 -81.3 -13.5 -7.6 12.5 3.5 3 12 A L E +a 96 0A 5 47,-0.2 46,-0.7 92,-0.2 2,-0.3 -0.950 59.1 163.6-140.2 116.7 -4.8 12.6 0.9 4 13 A M E -a 97 0A 31 92,-2.5 94,-2.9 -2,-0.4 2,-0.4 -0.967 17.6-157.8-130.7 148.2 -1.9 10.1 0.6 5 14 A V E -aB 98 46A 0 41,-1.9 41,-2.2 -2,-0.3 2,-0.4 -0.991 4.9-170.9-130.6 132.9 0.5 9.4 -2.3 6 15 A K E -aB 99 45A 61 92,-2.9 94,-2.9 -2,-0.4 2,-0.5 -0.999 7.0-167.4-124.2 128.7 2.5 6.3 -2.7 7 16 A V E -a 100 0A 0 37,-2.6 9,-2.6 -2,-0.4 2,-0.3 -0.965 2.3-168.5-127.8 127.3 5.1 6.1 -5.4 8 17 A L E -aC 101 15A 73 92,-2.7 94,-3.0 -2,-0.5 2,-0.6 -0.874 19.7-132.2-115.2 152.3 6.8 2.9 -6.6 9 18 A D E >> -aC 102 14A 3 5,-3.4 4,-1.3 -2,-0.3 5,-1.3 -0.901 12.8-167.4-105.0 115.4 9.8 2.3 -8.8 10 19 A A T 45S+ 0 0 48 92,-2.9 93,-0.1 -2,-0.6 -1,-0.1 0.525 84.8 54.0 -82.3 -9.1 9.2 -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 0.881 121.1 26.9 -88.7 -48.1 12.8 -0.7 -12.5 12 21 A R T 45S- 0 0 129 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.553 100.0-126.7 -92.6 -9.1 14.2 -1.4 -9.1 13 22 A G T <5S+ 0 0 70 -4,-1.3 -3,-0.2 1,-0.2 3,-0.0 0.952 72.3 107.4 62.5 56.0 11.1 -3.0 -7.6 14 23 A S E - 0 0 10 4,-3.5 3,-2.5 -2,-0.4 -1,-0.1 -0.400 24.5-102.5 -82.7 162.1 -9.2 28.8 -7.6 28 37 A A T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.857 126.1 54.9 -45.4 -40.2 -12.6 30.5 -8.3 29 38 A D T 3 S- 0 0 108 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.193 122.5-108.3 -80.7 13.4 -10.8 32.6 -10.9 30 39 A D S < S+ 0 0 114 -3,-2.5 2,-0.2 1,-0.2 -2,-0.1 0.457 77.6 127.0 71.5 7.7 -9.5 29.4 -12.7 31 40 A T - 0 0 70 1,-0.0 -4,-3.5 -5,-0.0 2,-0.8 -0.565 66.3-109.4 -88.9 159.1 -5.8 29.7 -11.6 32 41 A W E -J 26 0B 82 -6,-0.2 -6,-0.2 -2,-0.2 28,-0.0 -0.789 34.5-161.3 -88.4 106.1 -3.8 27.0 -9.8 33 42 A E E -J 25 0B 98 -8,-2.8 -8,-2.8 -2,-0.8 2,-0.1 -0.719 27.4-106.4 -90.8 131.4 -3.2 28.0 -6.2 34 43 A P E +J 24 0B 117 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.344 44.3 169.5 -53.7 126.8 -0.4 26.3 -4.2 35 44 A F E - 0 0 35 -12,-3.3 2,-0.3 1,-0.4 -11,-0.2 0.786 53.4 -34.0-112.2 -46.1 -2.1 23.9 -1.8 36 45 A A E -J 23 0B 24 -13,-1.6 -13,-3.8 2,-0.0 -1,-0.4 -0.964 50.4-165.6-166.9 170.1 0.7 21.7 -0.2 37 46 A S E +J 22 0B 71 -2,-0.3 2,-0.3 -15,-0.3 -15,-0.2 -0.976 16.4 141.6-161.0 165.2 4.0 19.9 -0.9 38 47 A G E -J 21 0B 23 -17,-2.0 -17,-2.4 -2,-0.3 2,-0.4 -0.968 38.5-104.1 178.2-179.7 6.3 17.3 0.4 39 48 A K E -J 20 0B 114 -2,-0.3 -19,-0.2 -19,-0.2 6,-0.1 -0.994 40.0 -97.8-129.0 146.8 8.7 14.5 -0.6 40 49 A T - 0 0 5 -21,-2.1 -22,-1.9 -2,-0.4 6,-0.2 -0.221 36.6-130.0 -63.4 147.8 8.1 10.7 -0.3 41 50 A S > - 0 0 51 4,-2.6 3,-2.0 -24,-0.2 -23,-0.2 -0.043 40.8 -79.5 -79.7-175.3 9.6 8.8 2.7 42 51 A E T 3 S+ 0 0 163 1,-0.3 -25,-0.1 -25,-0.2 -2,-0.1 0.699 134.2 54.9 -61.8 -17.2 11.7 5.6 2.7 43 52 A S T 3 S- 0 0 49 2,-0.2 -1,-0.3 -27,-0.1 -27,-0.1 0.320 120.5-110.4 -98.5 7.1 8.4 3.7 2.1 44 53 A G S < S+ 0 0 0 -3,-2.0 -37,-2.6 1,-0.3 2,-0.3 0.676 78.5 127.9 76.8 18.2 7.6 5.8 -1.0 45 54 A E E -B 6 0A 50 -39,-0.2 -4,-2.6 -6,-0.1 2,-0.4 -0.778 44.5-165.7-115.9 146.5 4.7 7.5 0.9 46 55 A L E +B 5 0A 19 -41,-2.2 -41,-1.9 -2,-0.3 2,-0.2 -0.956 21.2 166.1-130.6 121.4 3.7 11.1 1.6 47 56 A H + 0 0 102 -2,-0.4 -43,-0.1 -43,-0.2 -2,-0.0 -0.655 48.4 48.3-123.4 169.3 1.1 11.7 4.3 48 57 A G + 0 0 69 -2,-0.2 -1,-0.1 -45,-0.2 -44,-0.1 0.719 59.7 135.4 69.6 23.2 -0.1 14.8 6.1 49 58 A L S S- 0 0 16 -46,-0.7 2,-0.3 -3,-0.2 -12,-0.1 0.834 74.5 -9.8 -69.3 -32.3 -0.6 17.0 3.1 50 59 A T - 0 0 9 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.906 64.5-114.5-156.9 178.2 -3.9 18.3 4.4 51 60 A T > - 0 0 56 -2,-0.3 4,-2.1 -50,-0.1 3,-0.1 -0.827 35.0-105.8-120.3 160.1 -6.7 18.0 6.9 52 61 A E T 4 S+ 0 0 112 -2,-0.3 -1,-0.1 1,-0.2 42,-0.1 0.882 119.5 44.3 -47.8 -46.1 -10.4 17.0 6.6 53 62 A E T 4 S+ 0 0 153 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.831 115.5 45.9 -80.8 -25.5 -11.6 20.6 7.1 54 63 A E T 4 S+ 0 0 95 1,-0.2 2,-2.1 -3,-0.1 -1,-0.2 0.799 96.8 77.0 -77.2 -32.4 -9.0 22.2 4.7 55 64 A F S < S+ 0 0 7 -4,-2.1 -1,-0.2 3,-0.0 3,-0.1 -0.453 70.1 162.7 -81.3 68.9 -9.6 19.7 2.0 56 65 A V - 0 0 72 -2,-2.1 32,-0.1 1,-0.2 34,-0.1 -0.235 48.1 -61.7 -83.2 176.9 -12.8 21.1 0.7 57 66 A E S S+ 0 0 118 32,-0.2 2,-0.3 30,-0.1 32,-0.2 -0.197 83.2 101.3 -48.8 137.9 -14.5 20.4 -2.6 58 67 A G E S- L 0 88B 15 30,-1.5 30,-3.1 -3,-0.1 2,-0.6 -0.943 73.7 -70.0 166.0-179.3 -12.5 21.4 -5.6 59 68 A I E - L 0 87B 36 -33,-0.3 -33,-2.8 -2,-0.3 2,-0.3 -0.892 50.8-167.9 -99.8 121.8 -10.3 20.4 -8.5 60 69 A Y E -KL 25 86B 0 26,-3.2 26,-2.5 -2,-0.6 2,-0.4 -0.837 11.7-159.0-114.2 149.4 -6.8 19.4 -7.3 61 70 A K E -KL 24 85B 25 -37,-2.7 -37,-2.7 -2,-0.3 2,-0.6 -0.996 1.7-165.3-127.6 128.4 -3.5 18.8 -9.1 62 71 A V E -KL 23 84B 0 22,-2.6 22,-1.1 -2,-0.4 2,-0.7 -0.967 8.3-164.7-110.0 118.3 -0.7 16.7 -7.7 63 72 A E E -KL 22 83B 51 -41,-3.2 -41,-1.9 -2,-0.6 2,-0.5 -0.915 6.3-160.3-106.5 109.3 2.5 17.3 -9.7 64 73 A I E -KL 21 82B 0 18,-3.6 2,-2.2 -2,-0.7 18,-2.0 -0.792 16.2-135.5 -97.7 125.2 5.1 14.6 -9.0 65 74 A D > + 0 0 51 -45,-3.2 4,-1.1 -2,-0.5 -45,-0.4 -0.463 44.4 152.7 -82.9 76.9 8.7 15.5 -9.8 66 75 A T H > + 0 0 5 -2,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.803 62.7 64.7 -76.7 -29.0 9.6 12.2 -11.5 67 76 A K H > S+ 0 0 62 13,-1.0 4,-3.1 -3,-0.3 5,-0.2 0.942 102.9 47.7 -60.7 -47.1 12.3 13.8 -13.8 68 77 A S H > S+ 0 0 67 12,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.871 109.0 55.2 -60.3 -39.4 14.5 14.7 -10.8 69 78 A Y H X S+ 0 0 21 -4,-1.1 4,-0.8 2,-0.2 -1,-0.2 0.951 113.7 39.7 -55.9 -53.1 14.0 11.2 -9.3 70 79 A W H ><>S+ 0 0 6 -4,-2.2 5,-2.5 1,-0.2 3,-1.1 0.931 112.7 55.6 -66.4 -41.4 15.3 9.6 -12.6 71 80 A K H ><5S+ 0 0 106 -4,-3.1 3,-2.1 1,-0.3 -1,-0.2 0.893 103.1 55.1 -59.1 -42.2 18.0 12.2 -13.1 72 81 A A H 3<5S+ 0 0 92 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.770 106.8 52.7 -63.6 -21.1 19.5 11.5 -9.6 73 82 A L T <<5S- 0 0 70 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.248 127.4-102.1 -94.2 9.0 19.7 7.8 -10.7 74 83 A G T < 5S+ 0 0 68 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.433 82.7 126.8 89.2 -0.7 21.6 8.8 -13.8 75 84 A I < - 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