==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 23-OCT-11 3UB4 . COMPND 2 MOLECULE: TOLL/INTERLEUKIN-1 RECEPTOR DOMAIN-CONTAINING ADA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.SHEN,Z.LIN . 125 2 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 11 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 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 79 A S 0 0 108 0, 0.0 125,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -9.5 -17.9 2.2 -4.4 2 80 A S > - 0 0 50 124,-0.3 3,-3.0 123,-0.2 4,-0.4 -0.599 360.0-133.5 -77.6 128.4 -18.6 4.3 -7.5 3 81 A R T 3 S+ 0 0 70 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.716 109.5 47.5 -51.5 -22.7 -22.1 3.7 -9.0 4 82 A W T 3 S+ 0 0 224 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.321 80.0 97.3-103.1 6.6 -20.3 3.5 -12.4 5 83 A S S < S+ 0 0 70 -3,-3.0 2,-0.3 2,-0.0 -1,-0.2 0.751 89.7 45.1 -65.7 -22.4 -17.5 1.1 -11.3 6 84 A K S S- 0 0 75 -4,-0.4 39,-0.1 -3,-0.3 40,-0.1 -0.930 79.5-137.1-120.8 147.3 -19.7 -1.6 -12.8 7 85 A D S S+ 0 0 145 37,-0.5 2,-0.3 -2,-0.3 38,-0.2 0.734 89.2 41.8 -75.5 -23.5 -21.5 -1.6 -16.1 8 86 A Y E -a 45 0A 85 36,-0.9 38,-1.2 1,-0.1 28,-0.2 -0.936 64.1-149.8-125.1 151.0 -24.7 -3.1 -14.8 9 87 A D E S- 0 0 5 26,-1.5 38,-2.3 -2,-0.3 2,-0.3 0.848 83.1 -1.8 -83.2 -37.4 -26.6 -2.5 -11.6 10 88 A V E -ab 47 36A 0 25,-1.6 27,-1.5 36,-0.2 2,-0.3 -0.973 57.7-168.4-157.6 138.5 -28.0 -6.0 -11.2 11 89 A a E -ab 48 37A 0 36,-1.7 38,-2.1 -2,-0.3 2,-0.6 -0.952 24.1-124.9-127.2 148.9 -28.0 -9.2 -13.1 12 90 A V E -ab 49 38A 0 25,-1.9 27,-1.8 -2,-0.3 2,-1.0 -0.854 10.4-153.1-100.8 119.1 -30.2 -12.3 -12.5 13 91 A C E +a 50 0A 15 36,-3.1 38,-2.5 -2,-0.6 2,-0.3 -0.783 34.1 164.7 -89.3 100.6 -28.4 -15.7 -12.0 14 92 A H E -a 51 0A 45 -2,-1.0 38,-0.1 25,-0.2 5,-0.1 -0.919 37.0-114.7-124.1 148.0 -31.1 -18.1 -13.2 15 93 A S > - 0 0 5 36,-0.5 3,-1.1 -2,-0.3 7,-0.2 -0.253 38.2-102.9 -71.9 165.7 -31.1 -21.8 -14.2 16 94 A E G > S+ 0 0 181 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.882 120.3 49.0 -57.1 -44.7 -31.8 -22.9 -17.8 17 95 A E G 3 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.577 105.4 59.4 -75.1 -9.3 -35.4 -24.0 -17.1 18 96 A D G <> + 0 0 22 -3,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.210 67.4 121.8-102.5 15.7 -36.2 -20.7 -15.3 19 97 A L H <> S+ 0 0 73 -3,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.854 71.2 50.4 -45.0 -50.2 -35.4 -18.5 -18.3 20 98 A V H > S+ 0 0 99 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.952 110.3 46.9 -58.1 -54.0 -38.9 -16.9 -18.5 21 99 A A H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 109.2 56.5 -55.1 -45.1 -39.2 -15.9 -14.8 22 100 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.926 108.1 47.0 -51.8 -50.0 -35.6 -14.5 -14.9 23 101 A Q H X S+ 0 0 91 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.870 107.5 57.0 -61.3 -38.3 -36.6 -12.2 -17.8 24 102 A D H X S+ 0 0 87 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.884 108.8 47.1 -60.0 -39.3 -39.8 -11.2 -15.9 25 103 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.923 109.6 52.6 -68.4 -45.4 -37.6 -10.0 -13.0 26 104 A V H X S+ 0 0 16 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.935 111.6 46.7 -56.0 -47.3 -35.2 -8.2 -15.3 27 105 A S H X S+ 0 0 64 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.940 112.2 50.8 -59.5 -47.6 -38.2 -6.3 -16.9 28 106 A Y H < S+ 0 0 68 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.944 110.7 48.6 -55.1 -50.9 -39.6 -5.6 -13.4 29 107 A L H < S+ 0 0 0 -4,-3.3 5,-0.4 1,-0.2 -1,-0.2 0.843 111.5 50.5 -60.0 -36.2 -36.2 -4.2 -12.2 30 108 A E H < 0 0 108 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.991 360.0 360.0 -66.7 -60.2 -35.9 -2.0 -15.3 31 109 A G < 0 0 93 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.1 -0.904 360.0 360.0 156.9 360.0 -39.3 -0.4 -15.1 32 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 33 128 A A 0 0 122 0, 0.0 2,-0.7 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 143.8 -32.7 4.0 -13.4 34 129 A I - 0 0 12 -4,-0.4 2,-0.5 -5,-0.4 85,-0.0 -0.581 360.0-155.0 -75.8 110.1 -31.9 0.4 -12.6 35 130 A V + 0 0 70 -2,-0.7 -25,-1.6 -24,-0.0 -26,-1.5 -0.729 25.9 168.8 -84.4 126.0 -29.8 -1.2 -15.4 36 131 A S E +b 10 0A 9 -2,-0.5 2,-0.3 -27,-0.2 -25,-0.2 -0.980 15.7 164.9-143.3 155.8 -30.2 -5.0 -15.4 37 132 A E E -b 11 0A 28 -27,-1.5 -25,-1.9 -2,-0.3 2,-0.5 -0.875 46.9 -82.4-151.3 178.3 -29.5 -8.1 -17.5 38 133 A L E -b 12 0A 36 -27,-0.3 -25,-0.2 -2,-0.3 -27,-0.0 -0.807 60.4-101.3 -89.8 132.3 -29.4 -11.9 -17.1 39 134 A a - 0 0 25 -27,-1.8 -25,-0.2 -2,-0.5 2,-0.2 -0.284 43.9-177.0 -60.3 131.2 -26.1 -12.9 -15.6 40 135 A Q - 0 0 114 1,-0.1 3,-0.3 -27,-0.1 -3,-0.0 -0.539 41.8-101.7-111.6-177.6 -23.6 -14.2 -18.1 41 136 A A S S+ 0 0 106 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.958 127.0 42.4 -71.9 -49.9 -20.1 -15.6 -17.3 42 137 A L S S+ 0 0 170 -3,-0.0 -1,-0.2 2,-0.0 2,-0.2 0.331 94.8 126.1 -77.2 9.1 -18.4 -12.4 -18.3 43 138 A S + 0 0 13 -3,-0.3 2,-0.3 1,-0.0 -4,-0.1 -0.486 34.3 175.6 -75.7 135.5 -21.2 -10.6 -16.5 44 139 A S + 0 0 63 -2,-0.2 -36,-0.9 -34,-0.0 -37,-0.5 -0.907 11.5 147.3-146.1 113.6 -20.3 -8.1 -13.8 45 140 A S E -a 8 0A 15 -2,-0.3 -36,-0.2 -38,-0.2 -35,-0.1 -0.721 54.5-105.9-133.4-179.0 -22.8 -5.9 -11.9 46 141 A H E S+ 0 0 14 -38,-1.2 33,-0.5 -2,-0.2 2,-0.3 0.907 103.2 27.5 -79.2 -45.2 -23.3 -4.4 -8.5 47 142 A b E -ac 10 79A 1 -38,-2.3 -36,-1.7 31,-0.1 2,-0.5 -0.887 66.0-157.6-117.9 150.7 -26.0 -6.8 -7.3 48 143 A R E -ac 11 80A 47 31,-1.8 33,-1.9 -2,-0.3 2,-0.6 -0.952 7.5-154.9-131.1 112.3 -26.6 -10.4 -8.3 49 144 A V E -ac 12 81A 0 -38,-2.1 -36,-3.1 -2,-0.5 2,-0.8 -0.775 8.8-148.6 -88.8 123.9 -30.1 -11.9 -7.8 50 145 A L E -ac 13 82A 0 31,-1.9 33,-2.9 -2,-0.6 2,-2.1 -0.819 3.8-150.5 -93.3 109.3 -30.1 -15.7 -7.4 51 146 A L E -ac 14 83A 0 -38,-2.5 2,-1.0 -2,-0.8 -36,-0.5 -0.557 20.8-168.7 -80.5 81.2 -33.3 -17.1 -8.8 52 147 A I E + c 0 84A 0 -2,-2.1 33,-2.0 31,-1.5 35,-0.1 -0.648 21.8 148.3 -79.9 103.2 -33.3 -20.1 -6.5 53 148 A T > - 0 0 8 -2,-1.0 4,-1.9 31,-0.2 5,-0.2 -0.619 65.3 -87.9-121.7 179.3 -36.0 -22.5 -7.7 54 149 A P H > S+ 0 0 52 0, 0.0 4,-1.2 0, 0.0 3,-0.1 0.943 129.7 49.8 -57.4 -44.4 -36.2 -26.3 -7.5 55 150 A G H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.903 106.9 53.9 -59.5 -43.7 -34.3 -26.5 -10.8 56 151 A F H 4 S+ 0 0 0 1,-0.2 7,-0.4 2,-0.2 -1,-0.2 0.881 105.8 53.9 -59.6 -39.1 -31.5 -24.2 -9.6 57 152 A L H < S+ 0 0 41 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.790 110.6 46.1 -68.9 -28.1 -30.9 -26.3 -6.5 58 153 A Q H < S+ 0 0 148 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.959 88.8 87.8 -76.5 -57.4 -30.4 -29.5 -8.5 59 154 A D >X - 0 0 62 -4,-2.2 4,-1.9 1,-0.2 3,-0.5 -0.240 69.5-152.8 -47.7 108.5 -28.1 -28.1 -11.2 60 155 A P H 3> S+ 0 0 107 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.777 94.3 56.4 -57.8 -29.0 -24.6 -28.6 -9.5 61 156 A W H 3> S+ 0 0 157 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.879 104.4 52.3 -72.2 -37.6 -23.3 -25.7 -11.5 62 157 A C H <> S+ 0 0 10 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.961 109.5 48.7 -61.1 -51.6 -26.0 -23.4 -10.2 63 158 A K H X S+ 0 0 73 -4,-1.9 4,-2.9 -7,-0.4 5,-0.2 0.929 111.0 49.7 -54.5 -48.9 -25.1 -24.3 -6.6 64 159 A Y H X S+ 0 0 112 -4,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.901 110.5 51.8 -57.1 -40.3 -21.4 -23.8 -7.2 65 160 A Q H X S+ 0 0 41 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.907 109.4 49.3 -61.6 -43.2 -22.4 -20.4 -8.7 66 161 A M H X S+ 0 0 4 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.955 110.9 50.3 -59.0 -51.6 -24.4 -19.6 -5.6 67 162 A L H X S+ 0 0 108 -4,-2.9 4,-0.7 1,-0.2 3,-0.5 0.881 115.2 42.1 -54.3 -44.0 -21.5 -20.5 -3.4 68 163 A Q H X S+ 0 0 79 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.740 107.1 61.4 -77.2 -23.7 -19.1 -18.3 -5.4 69 164 A A H < S+ 0 0 12 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.654 115.0 35.5 -74.6 -15.5 -21.7 -15.6 -5.6 70 165 A L H >< S+ 0 0 47 -4,-0.9 3,-0.7 -3,-0.5 -2,-0.2 0.492 94.5 90.1-110.5 -13.6 -21.4 -15.6 -1.8 71 166 A T H 3< S+ 0 0 74 -4,-0.7 2,-0.7 1,-0.3 -2,-0.2 0.971 112.7 10.0 -44.6 -72.1 -17.7 -16.3 -1.7 72 167 A E T 3< S+ 0 0 146 -4,-0.8 -1,-0.3 5,-0.0 3,-0.0 -0.907 118.3 86.3-113.0 100.1 -17.0 -12.6 -1.8 73 168 A A < + 0 0 10 -2,-0.7 4,-0.4 -3,-0.7 5,-0.2 -0.883 68.9 22.3-167.7-166.2 -20.4 -11.1 -1.2 74 169 A P S S+ 0 0 67 0, 0.0 5,-0.1 0, 0.0 26,-0.1 0.250 70.3 111.5 -19.7 93.8 -22.9 -9.9 1.5 75 170 A G S S- 0 0 57 3,-0.2 4,-0.1 -3,-0.0 -5,-0.0 -0.041 116.1 -74.5-151.9 11.2 -20.8 -9.4 4.7 76 171 A A S S+ 0 0 101 2,-0.4 3,-0.0 0, 0.0 0, 0.0 -0.008 132.5 80.1 107.0 -17.1 -21.6 -5.7 4.2 77 172 A E S S+ 0 0 140 -4,-0.4 2,-0.1 0, 0.0 -5,-0.0 0.911 93.3 29.8 -83.4 -47.6 -19.1 -5.7 1.3 78 173 A G - 0 0 22 -5,-0.2 2,-0.4 -8,-0.1 -2,-0.4 -0.449 70.0-123.0-109.9-177.8 -21.1 -7.2 -1.6 79 174 A b E +c 47 0A 14 -33,-0.5 -31,-1.8 -2,-0.1 2,-0.4 -0.876 36.0 154.9-132.4 101.1 -24.7 -7.4 -2.8 80 175 A T E -c 48 0A 14 -2,-0.4 -31,-0.2 -33,-0.2 20,-0.1 -0.991 18.7-167.6-127.3 123.0 -26.3 -10.9 -3.4 81 176 A I E -c 49 0A 5 -33,-1.9 -31,-1.9 -2,-0.4 2,-0.5 -0.901 6.5-156.6-117.7 106.5 -30.1 -11.3 -3.2 82 177 A P E -c 50 0A 2 0, 0.0 20,-2.8 0, 0.0 2,-0.6 -0.685 7.2-163.6 -82.7 122.2 -31.5 -14.9 -3.1 83 178 A L E -cd 51 102A 0 -33,-2.9 -31,-1.5 -2,-0.5 2,-0.7 -0.930 7.5-150.2-108.0 121.8 -35.1 -15.1 -4.3 84 179 A L E +cd 52 103A 1 18,-2.5 20,-2.2 -2,-0.6 2,-0.4 -0.820 22.4 174.1 -97.2 111.4 -36.9 -18.3 -3.4 85 180 A L - 0 0 33 -33,-2.0 3,-0.1 -2,-0.7 -2,-0.0 -0.936 57.5 -2.8-122.0 141.3 -39.5 -19.4 -5.9 86 181 A G S S+ 0 0 72 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.832 96.4 118.2 52.9 42.3 -41.7 -22.5 -6.1 87 182 A L - 0 0 15 -3,-0.2 -1,-0.2 -34,-0.1 17,-0.1 -0.997 68.3-120.2-139.3 131.3 -40.2 -24.2 -3.1 88 183 A S >> - 0 0 84 -2,-0.4 3,-1.5 1,-0.2 4,-0.6 -0.469 36.3-115.3 -64.0 141.5 -41.8 -25.2 0.2 89 184 A R T 34 S+ 0 0 163 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.688 115.6 66.3 -55.4 -13.6 -39.9 -23.4 2.9 90 185 A A T 34 S+ 0 0 90 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.908 95.7 53.0 -73.0 -40.8 -38.8 -26.8 4.1 91 186 A A T <4 S+ 0 0 57 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.584 85.2 121.9 -69.4 -10.2 -36.7 -27.4 0.9 92 187 A Y S < S- 0 0 18 -4,-0.6 5,-0.1 -3,-0.3 -3,-0.0 -0.258 80.6 -96.2 -58.9 138.6 -35.0 -24.0 1.6 93 188 A P > - 0 0 12 0, 0.0 3,-3.3 0, 0.0 4,-0.3 -0.419 32.3-133.8 -58.1 111.8 -31.2 -24.2 1.9 94 189 A P G > S+ 0 0 101 0, 0.0 3,-1.5 0, 0.0 4,-0.1 0.716 100.7 69.5 -38.1 -35.1 -30.6 -24.4 5.7 95 190 A E G > S+ 0 0 92 1,-0.3 3,-1.2 2,-0.1 -3,-0.0 0.676 84.2 73.0 -64.0 -16.8 -27.9 -21.7 5.5 96 191 A L G X S+ 0 0 4 -3,-3.3 3,-2.0 1,-0.2 -1,-0.3 0.700 74.1 77.6 -72.1 -21.1 -30.6 -19.1 4.7 97 192 A R G < S+ 0 0 197 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.619 103.4 41.0 -63.6 -9.7 -31.9 -19.0 8.3 98 193 A F G < S+ 0 0 180 -3,-1.2 2,-0.3 -4,-0.1 -1,-0.3 0.031 113.4 61.5-124.2 25.1 -28.9 -16.8 8.9 99 194 A M S < S- 0 0 70 -3,-2.0 2,-0.2 2,-0.0 -3,-0.0 -0.972 85.4 -91.2-148.7 162.7 -28.9 -14.7 5.8 100 195 A Y + 0 0 110 -2,-0.3 2,-0.3 -20,-0.1 -2,-0.1 -0.485 52.6 148.9 -76.1 143.0 -31.0 -12.2 3.8 101 196 A Y - 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