==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 26-OCT-06 2NOY . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.PASQUATO,R.BERNI,C.FOLLI,B.ALFIERI,L.CENDRON,G.ZANOTTI . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11143.0 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 84 0, 0.0 50,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 83.4 16.1 30.8 26.4 2 11 A P + 0 0 8 0, 0.0 94,-2.6 0, 0.0 2,-0.4 0.583 360.0 44.3 -81.4 -8.0 13.7 30.2 29.3 3 12 A L E +a 96 0A 0 47,-0.2 46,-0.7 92,-0.2 2,-0.3 -0.950 63.5 163.6-141.0 120.6 16.4 30.0 32.0 4 13 A M E -a 97 0A 26 92,-2.3 94,-2.7 -2,-0.4 2,-0.4 -0.949 19.5-154.1-136.4 146.6 19.4 32.3 32.3 5 14 A V E -aB 98 46A 0 41,-1.9 41,-2.4 -2,-0.3 2,-0.4 -0.991 7.7-171.7-125.0 135.5 21.8 32.9 35.2 6 15 A K E -aB 99 45A 64 92,-2.6 94,-2.6 -2,-0.4 2,-0.4 -0.997 5.2-169.1-127.8 132.1 23.8 36.2 35.7 7 16 A V E -a 100 0A 0 37,-2.3 9,-2.7 -2,-0.4 2,-0.4 -0.985 1.0-169.1-129.9 129.6 26.5 36.5 38.3 8 17 A L E -aC 101 15A 69 92,-2.7 94,-2.9 -2,-0.4 2,-0.6 -0.911 19.7-134.7-118.0 145.7 28.2 39.6 39.5 9 18 A D E >> -aC 102 14A 2 5,-3.6 5,-1.4 -2,-0.4 4,-1.3 -0.887 13.1-167.7 -99.2 112.5 31.3 40.1 41.8 10 19 A A T 45S+ 0 0 48 92,-2.9 93,-0.1 -2,-0.6 -1,-0.1 0.532 84.7 55.9 -78.8 -12.0 30.6 42.9 44.4 11 20 A V T 45S+ 0 0 94 91,-0.5 -1,-0.2 3,-0.1 92,-0.1 0.833 121.1 27.0 -83.4 -41.9 34.3 43.2 45.4 12 21 A R T 45S- 0 0 146 2,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.582 98.7-128.8 -96.4 -14.0 35.6 43.9 41.9 13 22 A G T <5S+ 0 0 71 -4,-1.3 -3,-0.2 1,-0.2 3,-0.0 0.952 72.5 108.5 58.6 52.0 32.4 45.5 40.5 14 23 A S E - 0 0 0 -9,-2.7 3,-0.5 28,-0.1 2,-0.3 -0.886 39.8-155.6 -99.6 109.1 31.8 36.9 37.8 17 26 A I T 3 + 0 0 62 -2,-0.8 24,-0.2 1,-0.2 25,-0.1 -0.649 60.7 11.9 -97.6 149.1 33.4 34.9 35.0 18 27 A N T 3 S+ 0 0 118 22,-1.9 2,-0.5 -2,-0.3 -1,-0.2 0.818 77.6 159.6 60.5 33.7 33.8 31.2 34.7 19 28 A V < - 0 0 2 -3,-0.5 21,-2.0 22,-0.2 -1,-0.2 -0.787 39.7-126.0 -87.1 127.6 31.5 30.4 37.6 20 29 A A E -J 39 0B 17 -2,-0.5 45,-2.9 45,-0.4 2,-0.4 -0.513 27.0-170.4 -76.0 136.5 30.2 26.8 37.5 21 30 A V E -JK 38 64B 0 17,-3.4 17,-2.3 43,-0.2 2,-0.4 -0.996 5.5-170.7-131.4 128.2 26.4 26.4 37.6 22 31 A H E -JK 37 63B 81 41,-2.5 41,-3.5 -2,-0.4 2,-0.4 -0.969 6.0-160.7-119.4 133.4 24.5 23.1 38.0 23 32 A V E -JK 36 62B 1 13,-3.9 12,-3.3 -2,-0.4 13,-1.9 -0.938 9.2-176.0-118.0 134.3 20.8 22.8 37.6 24 33 A F E -JK 34 61B 37 37,-2.5 37,-2.3 -2,-0.4 2,-0.4 -0.895 13.6-147.1-124.7 154.6 18.7 19.9 39.0 25 34 A R E -JK 33 60B 68 8,-2.7 8,-3.8 -2,-0.3 2,-0.5 -0.962 25.7-115.6-119.7 140.9 15.0 19.0 38.7 26 35 A K E -J 32 0B 72 33,-2.5 33,-0.3 -2,-0.4 6,-0.2 -0.660 36.8-144.0 -75.2 120.4 13.0 17.3 41.5 27 36 A A > - 0 0 11 4,-3.2 3,-2.5 -2,-0.5 -1,-0.0 -0.374 28.6 -96.5 -81.2 168.2 11.9 13.8 40.1 28 37 A A T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.804 126.8 54.5 -48.7 -37.6 8.7 12.0 40.8 29 38 A D T 3 S- 0 0 105 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.268 120.2-109.7 -85.6 10.6 10.5 10.0 43.5 30 39 A D S < S+ 0 0 116 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.501 78.0 126.0 74.6 7.5 11.6 13.3 45.3 31 40 A T - 0 0 73 1,-0.0 -4,-3.2 -5,-0.0 2,-0.7 -0.622 67.6-106.8 -89.4 156.7 15.3 13.0 44.4 32 41 A W E -J 26 0B 79 -6,-0.2 -6,-0.2 -2,-0.2 28,-0.1 -0.740 35.0-160.4 -82.5 115.2 17.3 15.7 42.6 33 42 A E E -J 25 0B 90 -8,-3.8 -8,-2.7 -2,-0.7 2,-0.0 -0.823 26.7-106.1 -96.1 137.7 17.9 14.8 39.0 34 43 A P E +J 24 0B 115 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.343 44.8 166.8 -58.3 130.5 20.7 16.5 37.0 35 44 A F E - 0 0 38 -12,-3.3 2,-0.3 1,-0.4 -11,-0.2 0.760 55.2 -26.7-114.9 -47.2 19.0 18.9 34.5 36 45 A A E -J 23 0B 19 -13,-1.9 -13,-3.9 14,-0.0 -1,-0.4 -0.982 50.8-168.4-164.8 162.9 21.7 21.2 33.0 37 46 A S E +J 22 0B 75 -2,-0.3 2,-0.3 -15,-0.3 -15,-0.2 -0.982 16.0 141.4-155.8 160.8 25.1 22.7 33.8 38 47 A G E -J 21 0B 25 -17,-2.3 -17,-3.4 -2,-0.3 2,-0.3 -0.967 39.4-100.5-177.4-177.9 27.4 25.4 32.5 39 48 A K E -J 20 0B 139 -2,-0.3 -19,-0.2 -19,-0.2 6,-0.1 -0.975 38.5-105.9-124.0 144.2 29.8 28.1 33.3 40 49 A T - 0 0 1 -21,-2.0 -22,-1.9 -2,-0.3 6,-0.2 -0.377 38.0-130.1 -67.9 148.1 29.2 31.9 33.2 41 50 A S > - 0 0 48 4,-2.8 3,-2.5 -24,-0.2 -23,-0.2 -0.075 39.0 -76.6 -83.9-173.4 30.8 33.8 30.2 42 51 A E T 3 S+ 0 0 171 1,-0.3 -25,-0.1 -25,-0.1 -2,-0.1 0.748 135.3 53.8 -56.9 -24.1 33.0 36.9 30.1 43 52 A S T 3 S- 0 0 48 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.1 0.368 118.9-112.3 -90.8 3.4 29.8 38.9 30.7 44 53 A G S < S+ 0 0 0 -3,-2.5 -37,-2.3 1,-0.3 2,-0.3 0.520 79.2 125.6 76.1 8.8 28.9 36.8 33.9 45 54 A E E -B 6 0A 49 -39,-0.2 -4,-2.8 -6,-0.1 2,-0.5 -0.741 47.7-160.4-103.3 148.9 25.9 35.3 32.0 46 55 A L E +B 5 0A 14 -41,-2.4 -41,-1.9 -2,-0.3 2,-0.2 -0.962 22.0 170.9-130.5 111.5 25.1 31.7 31.4 47 56 A H + 0 0 102 -2,-0.5 -43,-0.1 -43,-0.2 -2,-0.0 -0.696 49.8 40.6-111.8 164.0 22.7 31.1 28.5 48 57 A G + 0 0 61 -2,-0.2 -1,-0.1 -45,-0.2 -44,-0.1 0.675 60.5 137.4 76.4 19.4 21.4 28.0 26.7 49 58 A L S S- 0 0 16 -46,-0.7 2,-0.3 -3,-0.2 -12,-0.2 0.843 75.1 -10.1 -65.8 -32.3 21.0 25.8 29.7 50 59 A T - 0 0 12 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.871 65.0-114.4-155.3-179.7 17.7 24.5 28.3 51 60 A T > - 0 0 62 -2,-0.3 4,-2.4 -50,-0.1 -2,-0.0 -0.846 33.7-108.5-124.9 162.3 14.9 24.8 25.8 52 61 A E T 4 S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.901 119.5 50.6 -54.5 -43.7 11.2 25.7 26.0 53 62 A E T 4 S+ 0 0 145 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.908 115.5 40.9 -63.1 -43.5 10.3 22.0 25.3 54 63 A E T 4 S+ 0 0 97 1,-0.2 2,-2.3 2,-0.1 -1,-0.2 0.814 96.7 80.5 -77.4 -31.6 12.6 20.5 27.9 55 64 A F < + 0 0 8 -4,-2.4 -1,-0.2 3,-0.0 3,-0.1 -0.409 66.8 162.6 -81.7 69.8 11.9 23.2 30.7 56 65 A V - 0 0 72 -2,-2.3 32,-0.1 1,-0.2 34,-0.1 -0.230 48.9 -64.4 -81.9 176.2 8.6 21.7 31.9 57 66 A E S S+ 0 0 117 32,-0.2 2,-0.3 30,-0.1 -1,-0.2 -0.237 81.9 107.4 -53.7 143.4 6.8 22.4 35.2 58 67 A G E S- L 0 88B 15 30,-1.5 30,-3.0 -3,-0.1 2,-0.5 -0.957 72.5 -75.6 167.7 176.2 8.8 21.3 38.2 59 68 A I E - L 0 87B 38 -33,-0.3 -33,-2.5 -2,-0.3 2,-0.3 -0.933 50.4-165.4 -97.2 126.4 10.8 22.3 41.2 60 69 A Y E -KL 25 86B 0 26,-3.2 26,-2.5 -2,-0.5 2,-0.4 -0.848 13.5-156.9-115.0 148.4 14.3 23.4 40.1 61 70 A K E -KL 24 85B 31 -37,-2.3 -37,-2.5 -2,-0.3 2,-0.6 -0.998 4.8-163.4-122.5 125.9 17.5 23.9 42.1 62 71 A V E -KL 23 84B 0 22,-3.0 22,-2.2 -2,-0.4 2,-0.6 -0.971 8.5-163.9-110.1 117.1 20.3 26.1 40.6 63 72 A E E -KL 22 83B 50 -41,-3.5 -41,-2.5 -2,-0.6 2,-0.6 -0.901 0.5-162.4-106.5 120.2 23.6 25.6 42.4 64 73 A I E -KL 21 82B 0 18,-3.2 2,-2.4 -2,-0.6 18,-1.9 -0.907 17.1-137.7-106.8 120.9 26.2 28.3 41.9 65 74 A D > + 0 0 44 -45,-2.9 4,-1.3 -2,-0.6 -45,-0.4 -0.453 42.4 153.7 -81.2 76.3 29.8 27.2 42.7 66 75 A T H > + 0 0 4 -2,-2.4 4,-2.5 2,-0.2 5,-0.3 0.820 63.6 64.0 -71.2 -30.0 30.7 30.4 44.5 67 76 A K H > S+ 0 0 56 13,-0.8 4,-2.9 -3,-0.3 5,-0.2 0.965 103.1 45.6 -63.3 -49.8 33.4 28.7 46.6 68 77 A S H > S+ 0 0 65 12,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.911 112.0 55.5 -59.6 -43.5 35.6 27.7 43.7 69 78 A Y H X S+ 0 0 22 -4,-1.3 4,-0.8 2,-0.2 -1,-0.2 0.938 113.3 37.7 -47.3 -60.0 35.2 31.2 42.3 70 79 A W H ><>S+ 0 0 5 -4,-2.5 5,-2.0 1,-0.2 3,-0.5 0.875 115.1 55.4 -65.4 -40.3 36.4 33.0 45.4 71 80 A K H ><5S+ 0 0 121 -4,-2.9 3,-1.6 -5,-0.3 -2,-0.2 0.917 104.9 51.6 -60.8 -43.9 39.1 30.4 46.1 72 81 A A H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.716 109.3 52.6 -66.3 -21.5 40.7 30.7 42.7 73 82 A L T <<5S- 0 0 68 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.349 123.3-104.5 -94.1 3.3 40.8 34.5 43.4 74 83 A G T < 5S+ 0 0 68 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.316 82.0 120.2 98.4 -8.7 42.6 34.1 46.7 75 84 A S < - 0 0 42 -5,-2.0 -1,-0.3 -6,-0.1 -2,-0.2 -0.515 60.6-134.9 -88.5 156.2 39.7 34.7 49.0 76 85 A S - 0 0 99 -2,-0.2 -9,-0.1 -3,-0.1 -5,-0.0 -0.909 31.3-153.0-112.6 97.3 38.4 32.2 51.6 77 86 A P - 0 0 20 0, 0.0 28,-0.2 0, 0.0 -10,-0.0 -0.249 15.3-138.4 -74.8 160.3 34.7 32.4 51.1 78 87 A F S S+ 0 0 11 26,-2.7 126,-0.8 125,-0.1 27,-0.2 0.920 79.6 67.3 -79.7 -50.1 32.1 31.6 53.8 79 88 A H E -N 203 0C 5 25,-0.5 124,-0.3 124,-0.2 3,-0.1 -0.400 66.7-145.2 -82.0 150.0 29.5 29.7 51.7 80 89 A E E S- 0 0 38 122,-2.7 -13,-0.8 1,-0.3 -12,-0.3 0.826 82.3 -39.9 -73.2 -32.3 29.9 26.3 50.0 81 90 A H E -N 202 0C 20 121,-0.5 121,-0.5 -15,-0.2 2,-0.5 -0.929 60.2-100.2-174.9 176.3 27.8 27.5 47.1 82 91 A A E -L 64 0B 0 -18,-1.9 -18,-3.2 -2,-0.3 2,-0.4 -0.999 37.4-163.2-119.5 121.5 24.6 29.6 46.5 83 92 A E E -L 63 0B 12 -2,-0.5 2,-0.4 117,-0.4 117,-0.4 -0.860 7.3-168.4-107.0 136.5 21.5 27.4 45.9 84 93 A V E -L 62 0B 0 -22,-2.2 -22,-3.0 -2,-0.4 2,-0.4 -0.980 8.3-175.1-126.5 119.8 18.4 28.8 44.4 85 94 A V E +L 61 0B 2 113,-0.5 112,-2.9 -2,-0.4 113,-0.5 -0.951 15.2 150.6-120.4 130.3 15.3 26.5 44.6 86 95 A F E -LM 60 196B 0 -26,-2.5 -26,-3.2 -2,-0.4 2,-0.4 -0.999 46.7-110.4-157.5 149.7 12.0 27.4 42.9 87 96 A T E -L 59 0B 36 108,-0.7 2,-0.4 -2,-0.3 -28,-0.2 -0.709 42.1-155.1 -80.1 136.5 8.9 26.1 41.3 88 97 A A E -L 58 0B 0 -30,-3.0 -30,-1.5 -2,-0.4 4,-0.0 -0.903 54.6 -5.5-120.3 144.5 8.9 26.8 37.6 89 98 A N S > S+ 0 0 9 -2,-0.4 3,-1.5 -32,-0.2 -32,-0.2 0.592 72.7 137.8 61.4 22.7 6.2 27.3 35.0 90 99 A D T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -32,-0.1 -2,-0.1 0.711 79.5 41.6 -81.9 -8.1 3.2 26.3 37.1 91 100 A S T 3 S- 0 0 97 1,-0.6 -1,-0.3 0, 0.0 -2,-0.1 0.165 137.6 -74.3-104.9 13.3 1.1 29.2 35.7 92 101 A G S < S- 0 0 24 -3,-1.5 -1,-0.6 -4,-0.0 -3,-0.2 -0.471 81.4 -25.8 115.6 174.9 2.5 28.3 32.3 93 102 A P + 0 0 76 0, 0.0 2,-0.3 0, 0.0 -37,-0.1 -0.268 63.9 172.1 -65.0 132.1 5.8 28.9 30.6 94 103 A R - 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