==== 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 22-FEB-06 2G4G . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.PASQUATO,C.FOLLI,R.BERNI,G.ZANOTTI . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 80.5 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 . 94 40.7 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 . 35 15.2 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 . 0 4 0 0 3 0 5 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 1 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 3,-0.1 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 101.9 15.6 31.1 25.3 2 11 A P + 0 0 13 0, 0.0 94,-2.9 0, 0.0 2,-0.4 0.618 360.0 40.9 -82.3 -15.6 13.2 30.4 28.1 3 12 A L E +a 96 0A 0 47,-0.2 46,-0.6 92,-0.2 2,-0.3 -0.918 66.9 165.9-138.6 113.1 15.9 30.1 30.9 4 13 A M E -a 97 0A 29 92,-2.8 94,-3.0 -2,-0.4 2,-0.4 -0.910 18.0-155.6-123.7 151.8 18.9 32.5 31.1 5 14 A V E -aB 98 46A 0 41,-1.6 41,-2.5 -2,-0.3 2,-0.4 -0.995 7.3-173.2-128.6 134.3 21.4 33.2 33.9 6 15 A K E -aB 99 45A 61 92,-2.3 94,-2.5 -2,-0.4 2,-0.4 -0.996 5.6-170.4-127.4 130.3 23.4 36.4 34.4 7 16 A V E -a 100 0A 0 37,-2.4 9,-2.5 -2,-0.4 2,-0.3 -0.981 1.5-169.0-127.1 132.4 26.1 36.7 37.0 8 17 A L E -aC 101 15A 71 92,-2.4 94,-2.5 -2,-0.4 2,-0.6 -0.868 20.5-131.7-116.7 154.6 28.0 39.8 38.2 9 18 A D E >> -aC 102 14A 2 5,-3.5 4,-1.6 -2,-0.3 5,-1.4 -0.927 13.2-167.2-107.1 112.5 31.1 40.3 40.4 10 19 A A T 45S+ 0 0 47 92,-2.7 93,-0.2 -2,-0.6 -1,-0.1 0.547 85.2 55.5 -76.7 -12.3 30.5 42.9 43.1 11 20 A V T 45S+ 0 0 89 91,-0.5 -1,-0.2 3,-0.1 92,-0.1 0.853 120.7 26.5 -85.7 -41.7 34.2 43.1 44.0 12 21 A R T 45S- 0 0 166 2,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.617 99.5-126.9 -97.5 -15.8 35.5 43.9 40.6 13 22 A G T <5S+ 0 0 70 -4,-1.6 -3,-0.2 1,-0.3 -5,-0.0 0.980 72.9 105.6 62.9 57.4 32.4 45.6 39.1 14 23 A S E - 0 0 0 -9,-2.5 3,-0.5 27,-0.2 -9,-0.2 -0.860 38.3-158.4 -91.8 109.3 31.4 37.0 36.5 17 26 A I T 3 + 0 0 63 -2,-0.8 24,-0.2 1,-0.2 25,-0.1 -0.568 61.7 14.9 -95.3 148.3 33.0 35.0 33.7 18 27 A N T 3 S+ 0 0 117 22,-1.7 2,-0.6 1,-0.2 -1,-0.2 0.794 77.5 162.6 62.5 29.6 33.4 31.2 33.5 19 28 A V < - 0 0 0 -3,-0.5 21,-1.9 22,-0.2 2,-0.2 -0.731 35.7-132.0 -80.4 120.4 30.9 30.6 36.3 20 29 A A E -J 39 0B 18 -2,-0.6 45,-2.8 45,-0.4 2,-0.4 -0.544 24.9-170.2 -73.9 137.3 29.6 27.0 36.3 21 30 A V E -JK 38 64B 0 17,-2.8 17,-2.1 -2,-0.2 2,-0.5 -0.997 7.6-168.8-132.8 129.0 25.9 26.6 36.5 22 31 A H E -JK 37 63B 76 41,-2.6 41,-3.2 -2,-0.4 2,-0.4 -0.976 6.3-160.0-121.0 128.6 23.9 23.3 37.1 23 32 A V E -JK 36 62B 2 13,-3.6 12,-2.9 -2,-0.5 13,-1.6 -0.881 10.3-177.7-110.4 136.6 20.2 23.1 36.7 24 33 A F E -JK 34 61B 41 37,-2.5 37,-2.5 -2,-0.4 2,-0.4 -0.899 13.5-150.2-127.9 157.0 18.0 20.3 38.2 25 34 A R E -JK 33 60B 69 8,-2.6 8,-2.7 -2,-0.3 2,-0.3 -0.996 28.1-111.9-129.4 135.8 14.3 19.5 38.1 26 35 A K E -J 32 0B 73 33,-2.8 33,-0.3 -2,-0.4 6,-0.2 -0.507 38.3-143.7 -69.9 124.6 12.4 17.7 40.9 27 36 A A > - 0 0 8 4,-3.1 3,-2.5 -2,-0.3 -1,-0.1 -0.367 27.5 -97.4 -85.7 167.7 11.3 14.2 39.7 28 37 A A T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.834 126.7 53.9 -49.9 -36.9 8.1 12.3 40.4 29 38 A D T 3 S- 0 0 111 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.241 121.5-109.1 -86.2 11.8 10.0 10.4 43.1 30 39 A D S < S+ 0 0 114 -3,-2.5 2,-0.2 1,-0.2 -2,-0.1 0.575 77.9 124.3 71.8 15.0 11.0 13.8 44.8 31 40 A T - 0 0 75 -6,-0.1 -4,-3.1 1,-0.0 2,-0.9 -0.670 69.6-103.5 -98.0 160.3 14.7 13.6 43.9 32 41 A W E -J 26 0B 71 -2,-0.2 -6,-0.2 -6,-0.2 28,-0.1 -0.730 37.6-162.3 -85.3 105.3 16.7 16.3 41.9 33 42 A E E -J 25 0B 94 -8,-2.7 -8,-2.6 -2,-0.9 2,-0.0 -0.678 28.1-104.3 -87.0 139.7 17.2 15.1 38.4 34 43 A P E +J 24 0B 114 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.381 44.6 168.5 -59.9 139.1 19.9 16.7 36.2 35 44 A F E - 0 0 36 -12,-2.9 2,-0.3 1,-0.4 -11,-0.2 0.711 54.4 -29.9-122.0 -46.5 18.3 19.1 33.7 36 45 A A E -J 23 0B 20 -13,-1.6 -13,-3.6 14,-0.1 -1,-0.4 -0.962 52.1-171.0-169.3 161.8 20.9 21.3 32.1 37 46 A S E +J 22 0B 76 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.981 14.8 141.3-158.5 162.4 24.3 22.9 32.8 38 47 A G E -J 21 0B 28 -17,-2.1 -17,-2.8 -2,-0.3 2,-0.3 -0.956 38.9 -99.0-177.3-167.9 26.7 25.4 31.3 39 48 A K E -J 20 0B 135 -2,-0.3 -19,-0.2 -19,-0.2 8,-0.2 -0.991 36.3-104.0-138.7 144.8 29.2 28.2 32.1 40 49 A T - 0 0 3 -21,-1.9 -22,-1.7 -2,-0.3 6,-0.2 -0.314 36.2-133.1 -69.5 151.2 28.8 32.0 31.9 41 50 A S > - 0 0 52 4,-2.3 3,-1.9 -24,-0.2 -22,-0.2 -0.120 40.2 -76.4 -90.0-169.7 30.5 33.8 29.0 42 51 A E T 3 S+ 0 0 172 1,-0.3 -25,-0.1 -25,-0.1 -2,-0.1 0.719 134.8 54.3 -64.3 -20.2 32.7 36.9 28.9 43 52 A S T 3 S- 0 0 52 2,-0.2 -1,-0.3 -27,-0.1 -27,-0.2 0.454 118.4-114.5 -87.8 -4.3 29.4 38.9 29.4 44 53 A G S < S+ 0 0 0 -3,-1.9 -37,-2.4 1,-0.3 2,-0.3 0.575 77.3 126.4 80.7 9.8 28.6 36.9 32.5 45 54 A E E -B 6 0A 51 -39,-0.2 -4,-2.3 -6,-0.1 2,-0.5 -0.753 48.0-157.1-105.1 148.2 25.6 35.4 30.7 46 55 A L E +B 5 0A 14 -41,-2.5 -41,-1.6 -2,-0.3 2,-0.2 -0.965 21.7 173.3-125.6 111.7 24.6 31.8 30.1 47 56 A H + 0 0 100 -2,-0.5 -8,-0.1 -8,-0.2 -43,-0.1 -0.699 51.1 36.2-112.3 164.7 22.3 31.2 27.2 48 57 A G + 0 0 60 -2,-0.2 -1,-0.2 2,-0.1 -44,-0.1 0.740 61.2 140.2 68.4 26.3 21.0 28.0 25.6 49 58 A L S S- 0 0 17 -46,-0.6 2,-0.2 -3,-0.2 -12,-0.2 0.903 74.2 -14.1 -62.4 -41.5 20.5 25.9 28.7 50 59 A T - 0 0 13 -47,-0.3 2,-0.3 -14,-0.1 -47,-0.2 -0.821 67.5-108.0-150.5-176.5 17.3 24.4 27.4 51 60 A T > - 0 0 72 -2,-0.2 4,-2.4 -50,-0.1 3,-0.1 -0.849 31.4-110.0-123.3 160.6 14.5 24.7 24.9 52 61 A E T 4 S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.899 119.1 50.0 -51.4 -45.0 10.8 25.7 25.1 53 62 A E T 4 S+ 0 0 182 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.887 115.7 40.0 -64.3 -40.5 9.8 22.1 24.5 54 63 A E T 4 S+ 0 0 91 1,-0.2 2,-2.0 -3,-0.1 -1,-0.2 0.766 95.6 81.6 -84.6 -25.2 12.0 20.6 27.1 55 64 A F < + 0 0 7 -4,-2.4 -1,-0.2 3,-0.0 3,-0.1 -0.511 68.6 164.2 -83.3 71.6 11.4 23.3 29.8 56 65 A V - 0 0 73 -2,-2.0 32,-0.1 1,-0.2 34,-0.1 -0.156 47.2 -61.2 -81.0 179.1 8.1 21.9 31.1 57 66 A E S S+ 0 0 120 32,-0.2 2,-0.3 30,-0.1 32,-0.2 -0.341 83.2 104.3 -55.7 139.1 6.2 22.6 34.3 58 67 A G E S- L 0 88B 15 30,-1.7 30,-2.7 -3,-0.1 2,-0.6 -0.982 72.4 -73.9 171.0-177.3 8.2 21.7 37.4 59 68 A I E - L 0 87B 46 -33,-0.3 -33,-2.8 -2,-0.3 2,-0.3 -0.939 51.0-166.9-104.6 121.0 10.2 22.7 40.4 60 69 A Y E -KL 25 86B 0 26,-3.0 26,-2.3 -2,-0.6 2,-0.5 -0.823 15.7-157.6-112.7 146.6 13.7 23.7 39.2 61 70 A K E -KL 24 85B 12 -37,-2.5 -37,-2.5 -2,-0.3 2,-0.7 -0.989 5.0-162.9-122.2 121.2 16.9 24.3 41.1 62 71 A V E -KL 23 84B 0 22,-2.7 22,-2.2 -2,-0.5 2,-0.6 -0.923 9.5-164.1-103.6 111.9 19.6 26.6 39.6 63 72 A E E -KL 22 83B 35 -41,-3.2 -41,-2.6 -2,-0.7 2,-0.6 -0.880 3.3-164.4-100.8 120.3 22.9 26.0 41.3 64 73 A I E -KL 21 82B 0 18,-3.1 18,-2.5 -2,-0.6 2,-2.2 -0.921 18.6-137.9-106.2 113.3 25.5 28.6 40.7 65 74 A D > + 0 0 32 -45,-2.8 4,-1.5 -2,-0.6 -45,-0.4 -0.465 38.5 160.1 -79.6 79.2 29.0 27.3 41.7 66 75 A T H > + 0 0 5 -2,-2.2 4,-2.4 2,-0.2 5,-0.2 0.806 68.7 57.6 -67.0 -34.7 30.2 30.4 43.4 67 76 A K H > S+ 0 0 62 13,-1.5 4,-2.6 -3,-0.2 5,-0.3 0.944 106.5 49.0 -63.6 -47.2 32.9 28.6 45.5 68 77 A S H > S+ 0 0 65 12,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.894 112.2 50.9 -56.4 -41.3 34.5 27.2 42.3 69 78 A Y H X S+ 0 0 18 -4,-1.5 4,-0.5 2,-0.2 -2,-0.2 0.937 113.1 42.3 -61.5 -51.9 34.5 30.8 40.8 70 79 A W H ><>S+ 0 0 4 -4,-2.4 5,-2.4 1,-0.2 3,-0.9 0.895 114.5 50.3 -65.6 -42.5 36.1 32.5 43.8 71 80 A K H ><5S+ 0 0 124 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.866 103.6 59.2 -64.8 -35.9 38.7 29.8 44.3 72 81 A A H 3<5S+ 0 0 88 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.705 106.9 49.8 -63.2 -18.4 39.6 30.0 40.6 73 82 A L T <<5S- 0 0 68 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.243 126.4-103.7-101.4 8.7 40.4 33.6 41.3 74 83 A G T < 5S+ 0 0 72 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.783 82.6 124.5 75.1 30.1 42.6 32.7 44.4 75 84 A I < - 0 0 60 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.2 -0.959 56.2-140.0-125.8 139.3 39.9 33.7 46.9 76 85 A S - 0 0 103 -2,-0.4 2,-0.1 -3,-0.1 -9,-0.1 -0.852 29.6-171.3-101.1 104.2 38.4 31.7 49.7 77 86 A P - 0 0 19 0, 0.0 28,-0.2 0, 0.0 -10,-0.0 -0.358 27.6-123.4 -93.8 175.5 34.6 32.5 49.9 78 87 A F S S+ 0 0 15 26,-2.4 126,-0.9 -2,-0.1 2,-0.2 0.908 83.0 66.1 -81.1 -48.0 31.9 31.5 52.5 79 88 A H E - M 0 203B 4 25,-0.5 124,-0.3 124,-0.2 3,-0.1 -0.465 63.4-146.4 -87.1 151.3 29.3 29.7 50.4 80 89 A E E S- 0 0 29 122,-2.9 -13,-1.5 1,-0.3 -12,-0.4 0.924 81.0 -35.9 -71.6 -48.1 29.5 26.4 48.6 81 90 A H E - M 0 202B 25 121,-0.6 121,-0.6 -15,-0.2 2,-0.5 -0.954 60.3-101.1-161.2 171.6 27.2 27.7 45.9 82 91 A A E -LM 64 201B 0 -18,-2.5 -18,-3.1 -2,-0.3 2,-0.4 -0.946 36.9-159.4-104.5 125.6 24.1 29.9 45.4 83 92 A E E -LM 63 200B 6 117,-0.6 117,-0.6 -2,-0.5 2,-0.5 -0.898 9.5-170.2-110.8 133.3 20.9 27.9 45.0 84 93 A V E -LM 62 199B 0 -22,-2.2 -22,-2.7 -2,-0.4 2,-0.5 -0.951 8.1-175.1-124.3 110.4 17.8 29.3 43.3 85 94 A V E +LM 61 198B 2 113,-0.6 112,-2.9 -2,-0.5 113,-0.6 -0.922 16.5 147.0-115.2 124.9 14.7 27.1 43.7 86 95 A F E -LM 60 196B 0 -26,-2.3 -26,-3.0 -2,-0.5 2,-0.3 -0.999 47.6-112.4-154.1 148.2 11.4 27.9 42.0 87 96 A T E -L 59 0B 31 108,-0.7 2,-0.4 -2,-0.3 -28,-0.2 -0.673 41.6-163.5 -76.7 135.4 8.3 26.6 40.3 88 97 A A E +L 58 0B 0 -30,-2.7 -30,-1.7 -2,-0.3 4,-0.1 -0.969 55.9 7.0-128.6 145.1 8.3 27.3 36.6 89 98 A N S > S+ 0 0 9 -2,-0.4 3,-1.4 -32,-0.2 -32,-0.2 0.660 72.6 140.0 66.5 21.9 5.7 27.3 33.8 90 99 A D T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -32,-0.1 -2,-0.1 0.719 79.4 36.1 -66.7 -22.7 2.9 26.7 36.3 91 100 A S T 3 S- 0 0 85 1,-0.7 -1,-0.3 0, 0.0 -2,-0.1 -0.178 135.3 -72.4-118.3 37.3 0.7 29.2 34.3 92 101 A G S < S- 0 0 31 -3,-1.4 -1,-0.7 -4,-0.1 -3,-0.2 -0.273 86.3 -23.2 92.0 173.2 2.0 28.3 30.9 93 102 A P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 -37,-0.1 -0.316 64.1 171.4 -62.8 128.6 5.4 29.0 29.3 94 103 A R - 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