==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RETINOL-BINDING 12-MAY-95 1TYR . COMPND 2 MOLECULE: TRANSTHYRETIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.ZANOTTI,M.R.D'ACUNTO,G.MALPELI,C.FOLLI,R.BERNI . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 35.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0.8 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 . 26 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 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 1 A G 0 0 55 0, 0.0 61,-0.2 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 100.4 10.9 27.8 20.4 2 2 A P - 0 0 80 0, 0.0 60,-1.0 0, 0.0 2,-0.4 0.673 360.0-120.7 -23.7 176.6 13.6 24.9 20.0 3 3 A T + 0 0 113 59,-0.1 2,-0.4 58,-0.1 4,-0.0 -0.864 59.5 9.3-146.9 121.7 13.6 21.7 22.1 4 4 A G S S- 0 0 18 -2,-0.4 56,-1.3 1,-0.1 59,-0.3 -0.965 109.8 -12.2 130.7-133.4 16.1 20.0 24.5 5 5 A T S S+ 0 0 101 -2,-0.4 -1,-0.1 54,-0.2 39,-0.0 0.355 108.0 74.6 -95.9 4.7 19.4 21.3 26.1 6 6 A G S S- 0 0 37 1,-0.0 2,-0.4 4,-0.0 53,-0.3 0.565 91.2 -64.7 -87.4-129.4 20.1 24.6 24.0 7 7 A E + 0 0 127 51,-0.1 53,-0.2 1,-0.1 -4,-0.1 -0.880 39.5 172.2-137.0 105.4 18.5 28.2 24.1 8 8 A S S S- 0 0 20 51,-0.9 -1,-0.1 -2,-0.4 52,-0.1 0.987 90.1 -37.3 -72.0 -58.6 14.9 28.9 23.0 9 9 A K S S- 0 0 49 -8,-0.1 -1,-0.1 -7,-0.0 51,-0.1 -0.343 103.3 -94.6-159.2 29.5 14.2 32.6 23.9 10 10 A C - 0 0 26 49,-0.2 95,-0.1 1,-0.1 50,-0.1 0.926 48.8-171.1 39.4 84.8 16.4 31.6 26.8 11 11 A P S S+ 0 0 6 0, 0.0 94,-3.3 0, 0.0 2,-0.4 0.673 73.8 37.7 -70.3 -21.7 14.0 30.7 29.6 12 12 A L E +a 105 0A 1 92,-0.2 46,-0.6 47,-0.2 45,-0.3 -0.993 66.4 165.5-132.6 123.5 16.8 30.4 32.3 13 13 A M E -a 106 0A 35 92,-1.7 94,-2.9 -2,-0.4 2,-0.4 -0.982 17.1-158.2-136.1 144.9 19.7 32.9 32.5 14 14 A V E -aB 107 55A 0 41,-1.8 41,-2.2 -2,-0.3 2,-0.4 -0.970 6.0-170.9-126.9 138.3 22.1 33.4 35.4 15 15 A K E -aB 108 54A 61 92,-2.1 94,-2.3 -2,-0.4 2,-0.5 -0.989 4.6-166.7-128.7 126.9 24.2 36.5 35.9 16 16 A V E -a 109 0A 0 37,-3.5 9,-2.6 -2,-0.4 2,-0.3 -0.961 2.8-169.3-124.9 136.0 26.8 36.8 38.5 17 17 A L E -aC 110 24A 70 92,-2.8 94,-3.1 -2,-0.5 2,-0.6 -0.843 18.5-134.5-120.7 156.1 28.6 39.9 39.8 18 18 A D E >> -aC 111 23A 3 5,-3.1 4,-1.2 -2,-0.3 5,-1.2 -0.894 11.2-170.9-108.4 113.5 31.6 40.5 42.0 19 19 A A T 45S+ 0 0 49 92,-2.4 93,-0.1 -2,-0.6 -1,-0.1 0.531 84.6 55.5 -80.1 -10.2 31.2 43.2 44.7 20 20 A V T 45S+ 0 0 82 91,-0.4 -1,-0.2 3,-0.1 92,-0.1 0.774 120.5 25.9 -91.6 -37.8 34.8 43.3 45.7 21 21 A R T 45S- 0 0 153 2,-0.2 -2,-0.2 3,-0.0 -1,-0.0 0.569 100.3-123.9-105.1 -5.6 36.3 44.1 42.2 22 22 A G T <5S+ 0 0 71 -4,-1.2 -3,-0.2 1,-0.2 -5,-0.0 0.964 74.3 101.4 63.6 49.4 33.3 45.8 40.7 23 23 A S E - 0 0 0 -9,-2.6 3,-0.5 28,-0.1 2,-0.3 -0.855 40.5-155.3 -97.7 107.2 32.3 37.2 38.1 26 26 A I T 3 + 0 0 57 -2,-0.9 24,-0.2 1,-0.2 25,-0.1 -0.633 61.2 10.4 -91.0 144.8 33.8 35.2 35.2 27 27 A N T 3 S+ 0 0 93 22,-2.1 2,-0.4 -2,-0.3 -1,-0.2 0.809 77.5 157.8 63.9 34.4 34.2 31.5 34.9 28 28 A V < - 0 0 2 -3,-0.5 21,-2.3 22,-0.1 2,-0.3 -0.789 41.2-124.1 -89.9 133.1 31.9 30.6 37.9 29 29 A A E -J 48 0B 22 -2,-0.4 45,-2.8 45,-0.3 2,-0.4 -0.570 27.6-169.0 -81.4 141.6 30.6 27.0 37.6 30 30 A V E -JK 47 73B 0 17,-3.2 17,-2.5 -2,-0.3 2,-0.4 -0.998 5.6-171.2-132.5 133.6 26.8 26.7 37.7 31 31 A H E -JK 46 72B 75 41,-2.1 41,-3.2 -2,-0.4 2,-0.4 -0.992 5.2-161.9-127.0 130.5 24.9 23.5 38.1 32 32 A V E -JK 45 71B 1 13,-3.4 12,-3.0 -2,-0.4 13,-1.7 -0.926 8.7-177.4-117.4 140.2 21.1 23.1 37.8 33 33 A F E -JK 43 70B 38 37,-2.5 37,-2.5 -2,-0.4 2,-0.4 -0.917 16.0-143.4-131.3 160.8 19.0 20.3 39.0 34 34 A R E -JK 42 69B 68 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.936 28.2-114.3-123.1 140.1 15.3 19.4 38.9 35 35 A K E -J 41 0B 61 33,-3.0 33,-0.3 -2,-0.4 6,-0.2 -0.621 40.5-140.0 -76.5 127.6 13.5 17.7 41.7 36 36 A A > - 0 0 9 4,-4.1 3,-1.5 -2,-0.5 4,-0.1 -0.275 24.3 -96.8 -84.1 173.2 12.4 14.2 40.5 37 37 A A T 3 S+ 0 0 112 1,-0.3 2,-0.6 2,-0.1 -1,-0.1 0.915 123.5 54.2 -47.2 -47.7 9.3 12.1 40.9 38 38 A D T 3 S- 0 0 103 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.083 122.0-102.0 -82.6 38.9 11.0 10.3 43.7 39 39 A D S < S+ 0 0 116 -3,-1.5 2,-0.3 -2,-0.6 -2,-0.1 0.761 85.2 112.3 49.1 32.1 11.9 13.4 45.7 40 40 A T S S- 0 0 69 -4,-0.1 -4,-4.1 -6,-0.1 2,-0.8 -0.915 70.6-101.1-131.6 159.2 15.5 13.6 44.7 41 41 A W E -J 35 0B 80 -2,-0.3 -6,-0.2 -6,-0.2 28,-0.0 -0.593 31.1-165.6 -84.1 113.7 17.6 16.0 42.7 42 42 A E E -J 34 0B 99 -8,-2.9 -8,-2.5 -2,-0.8 2,-0.0 -0.784 31.2-104.6 -98.2 142.4 18.4 15.0 39.3 43 43 A P E +J 33 0B 113 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.309 43.5 169.3 -57.8 130.3 21.1 16.8 37.2 44 44 A F E - 0 0 26 -12,-3.0 2,-0.3 1,-0.4 -11,-0.2 0.747 54.2 -25.5-114.9 -40.3 19.5 19.1 34.7 45 45 A A E -J 32 0B 18 -13,-1.7 -13,-3.4 14,-0.0 -1,-0.4 -0.986 53.7-166.8-167.7 165.1 22.1 21.4 33.1 46 46 A S E +J 31 0B 76 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.976 15.4 137.1-160.9 161.8 25.5 23.0 33.8 47 47 A G E -J 30 0B 25 -17,-2.5 -17,-3.2 -2,-0.3 2,-0.4 -0.975 39.4 -95.3-179.8-173.3 27.9 25.6 32.7 48 48 A K E -J 29 0B 128 -2,-0.3 -19,-0.2 -19,-0.2 2,-0.1 -0.985 38.5-110.0-130.1 138.1 30.3 28.4 33.4 49 49 A T - 0 0 2 -21,-2.3 -22,-2.1 -2,-0.4 6,-0.2 -0.353 36.3-128.1 -67.2 151.2 29.7 32.0 33.3 50 50 A S > - 0 0 52 4,-2.9 3,-2.5 -24,-0.2 -22,-0.1 -0.015 37.4 -76.5 -85.6-169.3 31.2 34.1 30.5 51 51 A E T 3 S+ 0 0 156 1,-0.3 -25,-0.1 -25,-0.1 -1,-0.1 0.808 133.0 50.4 -58.2 -29.6 33.4 37.2 30.4 52 52 A S T 3 S- 0 0 48 2,-0.2 -1,-0.3 -29,-0.1 -27,-0.1 0.335 121.0-107.8 -95.0 14.1 30.3 39.3 31.1 53 53 A G S < S+ 0 0 0 -3,-2.5 -37,-3.5 1,-0.2 2,-0.3 0.640 79.9 120.9 75.8 13.6 29.3 37.2 34.1 54 54 A E E -B 15 0A 47 -39,-0.3 -4,-2.9 -6,-0.1 2,-0.4 -0.798 45.7-162.1-114.5 156.1 26.3 35.5 32.3 55 55 A L E +B 14 0A 19 -41,-2.2 -41,-1.8 -2,-0.3 2,-0.2 -0.958 20.8 164.5-138.2 114.1 25.3 32.0 31.4 56 56 A H + 0 0 79 -2,-0.4 -43,-0.1 -43,-0.2 -49,-0.1 -0.764 51.1 52.8-118.1 165.8 22.6 31.5 28.7 57 57 A G + 0 0 22 -45,-0.3 -1,-0.1 -2,-0.2 -50,-0.1 0.850 58.6 133.1 80.2 23.0 21.6 28.3 26.8 58 58 A L S S- 0 0 6 -46,-0.6 2,-0.3 -3,-0.2 -51,-0.1 0.800 76.0 -13.3 -80.5 -30.4 21.1 26.1 29.8 59 59 A T - 0 0 2 -47,-0.3 -51,-0.9 -53,-0.3 2,-0.3 -0.923 63.9-111.6-157.6-177.9 17.8 24.7 28.4 60 60 A T > - 0 0 2 -56,-1.3 4,-1.7 -2,-0.3 -57,-0.1 -0.793 32.7-111.3-119.7 169.9 14.9 25.1 25.9 61 61 A E T 4 S+ 0 0 59 -2,-0.3 -58,-0.1 1,-0.2 -1,-0.1 0.878 118.6 54.7 -67.5 -33.0 11.4 26.1 26.4 62 62 A E T 4 S+ 0 0 93 -60,-1.0 -1,-0.2 1,-0.2 -59,-0.1 0.909 112.4 40.7 -68.2 -35.7 10.4 22.6 25.5 63 63 A E T 4 S+ 0 0 75 -59,-0.3 2,-1.7 1,-0.2 -1,-0.2 0.727 95.5 84.9 -82.3 -20.6 12.6 20.9 28.1 64 64 A F < + 0 0 10 -4,-1.7 -1,-0.2 -60,-0.1 3,-0.1 -0.528 64.0 167.6 -85.6 73.0 11.9 23.4 31.0 65 65 A V - 0 0 73 -2,-1.7 32,-0.1 1,-0.2 34,-0.1 -0.237 46.1 -69.3 -82.5 172.4 8.8 21.9 32.3 66 66 A E S S+ 0 0 127 32,-0.2 2,-0.3 30,-0.1 32,-0.2 -0.244 81.9 103.1 -59.0 143.5 7.0 22.7 35.5 67 67 A G E S- L 0 97B 15 30,-1.8 30,-2.7 -3,-0.1 2,-0.6 -0.991 73.4 -69.9 167.9-176.1 8.9 21.6 38.5 68 68 A I E - L 0 96B 44 -33,-0.3 -33,-3.0 -2,-0.3 2,-0.3 -0.903 51.0-169.1-106.0 123.3 11.1 22.5 41.4 69 69 A Y E -KL 34 95B 0 26,-3.0 26,-2.1 -2,-0.6 2,-0.4 -0.855 14.5-155.2-116.3 155.9 14.6 23.5 40.3 70 70 A K E -KL 33 94B 32 -37,-2.5 -37,-2.5 -2,-0.3 2,-0.6 -0.995 2.9-164.7-127.8 127.9 17.8 24.2 42.1 71 71 A V E -KL 32 93B 0 22,-2.7 22,-2.5 -2,-0.4 2,-0.5 -0.972 11.7-165.0-114.2 119.7 20.6 26.4 40.7 72 72 A E E -KL 31 92B 48 -41,-3.2 -41,-2.1 -2,-0.6 2,-0.5 -0.943 2.2-159.5-108.6 123.1 23.9 25.9 42.6 73 73 A I E -KL 30 91B 0 18,-3.1 2,-2.8 -2,-0.5 18,-1.8 -0.888 16.1-137.9-108.2 123.8 26.7 28.5 42.2 74 74 A D > + 0 0 47 -45,-2.8 4,-1.2 -2,-0.5 -45,-0.3 -0.394 40.6 156.0 -76.8 73.4 30.1 27.4 43.0 75 75 A T H > + 0 0 6 -2,-2.8 4,-2.2 1,-0.2 5,-0.3 0.866 61.7 64.3 -72.3 -27.2 31.2 30.5 44.8 76 76 A K H > S+ 0 0 49 13,-0.8 4,-2.4 -3,-0.3 5,-0.2 0.949 102.4 45.9 -62.5 -45.8 33.9 28.9 46.8 77 77 A S H > S+ 0 0 64 12,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 110.1 58.8 -64.0 -34.9 36.2 27.9 44.0 78 78 A Y H < S+ 0 0 22 -4,-1.2 4,-0.3 2,-0.2 -2,-0.2 0.973 112.2 36.4 -55.1 -56.5 35.6 31.4 42.5 79 79 A W H ><>S+ 0 0 5 -4,-2.2 5,-2.4 1,-0.2 3,-1.6 0.882 113.4 58.3 -66.9 -36.5 37.0 33.2 45.6 80 80 A K H ><5S+ 0 0 116 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.891 100.5 55.7 -62.1 -38.2 39.7 30.6 46.3 81 81 A A T 3<5S+ 0 0 84 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.604 107.6 50.0 -70.9 -11.1 41.2 31.1 42.9 82 82 A L T < 5S- 0 0 67 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.269 126.0-106.2-105.2 3.9 41.5 34.9 43.8 83 83 A G T < 5S+ 0 0 68 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.548 79.8 122.8 84.8 19.2 43.1 33.8 47.0 84 84 A I < - 0 0 61 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.2 -0.863 55.8-140.5-109.6 141.6 40.4 34.5 49.5 85 85 A S - 0 0 87 -2,-0.4 2,-0.1 -3,-0.1 -9,-0.1 -0.864 31.3-159.8 -99.0 107.8 38.9 31.9 51.7 86 86 A P - 0 0 11 0, 0.0 28,-0.2 0, 0.0 -10,-0.0 -0.348 20.5-120.8 -87.4 172.3 35.3 32.7 51.7 87 87 A F S S+ 0 0 12 26,-2.7 137,-0.8 136,-0.1 27,-0.1 0.954 83.5 66.1 -80.1 -47.4 32.5 31.8 54.2 88 88 A H E -N 223 0C 6 25,-0.6 135,-0.3 135,-0.2 3,-0.1 -0.422 65.3-143.4 -79.7 152.5 30.0 29.9 52.1 89 89 A E E S- 0 0 35 133,-3.7 -13,-0.8 1,-0.3 2,-0.3 0.890 81.5 -39.3 -73.9 -34.5 30.4 26.5 50.4 90 90 A H E -N 222 0C 41 132,-0.6 132,-0.5 -15,-0.2 2,-0.4 -0.930 60.0-106.5-170.5-180.0 28.2 27.7 47.5 91 91 A A E -L 73 0B 4 -18,-1.8 -18,-3.1 -2,-0.3 2,-0.3 -0.984 34.4-165.6-124.8 135.5 25.1 29.8 46.9 92 92 A E E -L 72 0B 3 -2,-0.4 2,-0.4 128,-0.3 128,-0.4 -0.959 12.0-164.2-125.3 141.6 21.9 27.9 46.0 93 93 A V E -L 71 0B 3 -22,-2.5 -22,-2.7 -2,-0.3 2,-0.5 -0.994 12.1-173.6-125.0 120.8 18.6 29.3 44.6 94 94 A V E +L 70 0B 6 124,-0.5 123,-2.6 -2,-0.4 124,-0.5 -0.963 18.5 147.7-117.9 126.2 15.6 26.8 44.9 95 95 A F E -LM 69 216B 0 -26,-2.1 -26,-3.0 -2,-0.5 2,-0.4 -0.992 47.4-108.6-156.5 162.1 12.3 27.7 43.2 96 96 A T E -L 68 0B 42 119,-0.7 2,-0.4 -2,-0.3 -28,-0.2 -0.753 40.8-158.7 -91.1 133.9 9.1 26.4 41.5 97 97 A A E -L 67 0B 0 -30,-2.7 -30,-1.8 -2,-0.4 4,-0.1 -0.923 54.1 -2.8-125.7 152.5 9.0 27.2 37.8 98 98 A N S > S+ 0 0 13 -2,-0.4 3,-1.1 -32,-0.2 -32,-0.2 0.617 71.7 142.0 48.1 35.9 6.4 27.5 35.1 99 99 A D T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.567 78.3 34.3 -77.6 -4.9 3.6 26.5 37.3 100 100 A S T 3 S- 0 0 88 1,-0.8 -1,-0.3 0, 0.0 -2,-0.1 -0.139 138.5 -57.6-134.1 28.0 1.2 29.0 35.7 101 101 A G S < S- 0 0 27 -3,-1.1 -1,-0.8 -4,-0.1 -3,-0.2 -0.343 83.3 -42.9 113.3 164.3 2.6 28.7 32.4 102 102 A P + 0 0 61 0, 0.0 2,-0.3 0, 0.0 -37,-0.1 -0.295 58.5 173.4 -64.4 143.6 6.0 29.2 30.9 103 103 A R - 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