==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 11-APR-09 3H16 . COMPND 2 MOLECULE: TIR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS PD1222; . AUTHOR S.L.CHAN,L.Y.LOW,E.SANTELLI,J.PASCUAL . 530 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 36 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 6 5 0 2 0 3 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 12 0 1 5 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 4 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 1 163 A A 0 0 147 0, 0.0 57,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.2 -2.0 8.4 -2.3 2 164 A P - 0 0 55 0, 0.0 56,-0.1 0, 0.0 55,-0.1 -0.366 360.0-129.6 -70.1 144.7 -3.7 6.3 0.4 3 165 A P S S+ 0 0 88 0, 0.0 2,-0.4 0, 0.0 54,-0.2 0.589 89.0 57.7 -71.2 -10.5 -4.2 7.7 3.9 4 166 A H E -a 57 0A 34 52,-1.3 54,-2.0 1,-0.1 55,-0.2 -0.975 57.3-162.7-127.4 137.5 -2.7 4.6 5.6 5 167 A D E S+ 0 0 40 27,-0.9 54,-1.8 -2,-0.4 2,-0.3 0.907 80.1 2.9 -79.3 -41.3 0.8 3.1 5.3 6 168 A I E -ab 59 33A 1 26,-1.5 28,-1.8 52,-0.2 2,-0.4 -0.999 53.4-162.0-148.9 145.0 -0.1 -0.3 6.9 7 169 A F E -ab 60 34A 0 52,-0.9 54,-2.4 -2,-0.3 2,-0.7 -0.956 21.1-138.4-122.9 142.7 -3.1 -2.2 8.3 8 170 A I E -a 61 0A 0 26,-1.3 2,-0.4 -2,-0.4 54,-0.2 -0.855 11.3-159.4-110.2 104.5 -2.6 -5.2 10.5 9 171 A S E +a 62 0A 0 52,-2.7 54,-2.7 -2,-0.7 2,-0.3 -0.652 30.9 147.3 -80.1 127.7 -5.0 -8.1 9.9 10 172 A H E -e 39 0B 0 28,-1.9 30,-3.5 -2,-0.4 2,-0.1 -0.996 51.8 -96.9-158.8 157.6 -5.2 -10.4 12.9 11 173 A A E > -e 40 0B 0 52,-0.4 3,-1.3 -2,-0.3 4,-0.4 -0.435 45.4-113.2 -70.9 154.3 -7.4 -12.8 14.9 12 174 A W G >> S+ 0 0 110 28,-2.6 3,-1.7 1,-0.3 4,-0.5 0.857 113.4 65.4 -60.8 -33.2 -8.9 -11.0 17.9 13 175 A E G 34 S+ 0 0 46 27,-0.3 4,-0.5 1,-0.3 -1,-0.3 0.748 99.2 52.3 -62.5 -23.1 -6.9 -13.1 20.3 14 176 A D G <>>S+ 0 0 5 -3,-1.3 5,-2.1 1,-0.2 4,-0.6 0.491 87.0 85.2 -91.1 -2.8 -3.6 -11.7 19.0 15 177 A K T <4>S+ 0 0 55 -3,-1.7 5,-2.1 -4,-0.4 3,-0.5 0.931 90.7 43.7 -64.4 -47.0 -4.7 -8.0 19.5 16 178 A A T <5S+ 0 0 76 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.907 121.2 33.1 -67.1 -46.8 -3.7 -7.7 23.2 17 179 A D T 45S+ 0 0 111 -4,-0.5 -1,-0.2 3,-0.1 -2,-0.2 0.184 134.6 1.7-103.2 19.2 -0.3 -9.4 23.3 18 180 A F T X5S+ 0 0 10 -4,-0.6 4,-3.2 -3,-0.5 5,-0.2 0.251 118.3 55.1-158.7 -60.9 1.3 -8.7 20.0 19 181 A V H > S+ 0 0 49 -6,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.913 112.0 49.0 -67.9 -45.6 2.8 -3.9 20.5 22 184 A L H X S+ 0 0 2 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.915 112.4 49.8 -61.3 -42.3 3.8 -4.2 16.8 23 185 A A H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 -1,-0.2 0.895 110.1 49.0 -63.1 -43.9 1.6 -1.2 15.9 24 186 A H H X S+ 0 0 98 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.902 111.4 49.4 -65.2 -40.3 3.0 1.0 18.6 25 187 A T H X S+ 0 0 42 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.884 113.6 48.0 -65.2 -37.7 6.6 0.1 17.6 26 188 A L H >X>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 3,-0.7 0.930 109.5 50.7 -67.7 -48.5 5.7 1.0 14.0 27 189 A R H ><5S+ 0 0 108 -4,-3.0 3,-0.8 1,-0.3 -1,-0.2 0.849 109.3 51.6 -58.8 -35.1 4.0 4.3 14.8 28 190 A A H 3<5S+ 0 0 92 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.735 105.3 56.9 -74.5 -21.3 7.0 5.4 16.8 29 191 A A H <<5S- 0 0 37 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.524 130.2 -94.1 -84.3 -9.1 9.2 4.5 13.8 30 192 A G T <<5S+ 0 0 58 -3,-0.8 2,-0.2 -4,-0.5 -3,-0.2 0.352 80.6 132.8 114.8 -5.4 7.2 6.9 11.6 31 193 A A < - 0 0 6 -5,-2.1 2,-0.5 -8,-0.1 -1,-0.3 -0.556 53.8-131.5 -83.9 145.3 4.6 4.6 10.0 32 194 A E - 0 0 91 -2,-0.2 -26,-1.5 2,-0.0 -27,-0.9 -0.837 39.6-179.6 -91.0 125.7 0.9 5.6 9.9 33 195 A V E -b 6 0A 2 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.990 21.7-177.9-137.6 139.6 -1.0 2.4 11.1 34 196 A W E +b 7 0A 46 -28,-1.8 -26,-1.3 -2,-0.4 -2,-0.0 -0.977 23.0 138.7-132.7 146.6 -4.5 1.3 11.7 35 197 A Y > + 0 0 24 -2,-0.3 3,-2.5 -28,-0.2 -25,-0.1 0.384 41.5 103.0-160.9 -11.8 -5.8 -2.0 13.0 36 198 A D G > S+ 0 0 110 1,-0.3 3,-0.7 2,-0.2 -21,-0.0 0.890 92.9 42.5 -51.4 -43.3 -8.7 -1.5 15.4 37 199 A D G 3 S+ 0 0 106 1,-0.2 -1,-0.3 12,-0.0 -28,-0.0 0.255 102.1 73.7 -88.4 15.4 -11.2 -2.6 12.8 38 200 A F G < + 0 0 2 -3,-2.5 -28,-1.9 -30,-0.1 2,-0.6 0.199 58.0 121.6-114.7 19.9 -9.1 -5.5 11.6 39 201 A S E < -e 10 0B 16 -3,-0.7 2,-0.5 -30,-0.2 -28,-0.2 -0.723 55.5-143.4 -82.1 120.3 -9.5 -7.9 14.5 40 202 A L E +e 11 0B 3 -30,-3.5 -28,-2.6 -2,-0.6 -27,-0.3 -0.745 22.6 177.3 -90.6 128.7 -11.0 -11.1 13.0 41 203 A R > - 0 0 132 -2,-0.5 3,-2.0 -30,-0.2 2,-0.0 -0.804 47.9 -70.8-121.3 164.0 -13.5 -13.0 15.0 42 204 A P T 3 S+ 0 0 70 0, 0.0 3,-0.1 0, 0.0 472,-0.1 -0.356 122.8 31.1 -57.1 130.8 -15.4 -16.2 14.1 43 205 A G T 3 S+ 0 0 76 1,-0.4 -3,-0.0 28,-0.2 28,-0.0 -0.071 89.0 122.5 112.6 -33.0 -17.9 -15.2 11.4 44 206 A D < - 0 0 70 -3,-2.0 2,-0.6 1,-0.1 -1,-0.4 -0.162 65.6-116.0 -62.9 156.0 -16.0 -12.4 9.8 45 207 A S > - 0 0 35 1,-0.2 4,-1.2 -3,-0.1 5,-0.1 -0.847 19.5-161.7 -95.6 122.3 -15.1 -12.4 6.1 46 208 A L H > S+ 0 0 1 -2,-0.6 4,-2.2 2,-0.2 5,-0.2 0.945 89.7 45.6 -69.6 -48.1 -11.4 -12.5 5.6 47 209 A R H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 110.7 53.5 -63.0 -40.4 -11.4 -11.3 2.0 48 210 A R H > S+ 0 0 185 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.845 111.3 47.1 -62.3 -35.6 -13.8 -8.5 2.7 49 211 A S H X S+ 0 0 18 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.899 110.8 49.9 -72.6 -44.2 -11.5 -7.3 5.5 50 212 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.891 110.1 52.9 -62.2 -39.6 -8.4 -7.5 3.4 51 213 A D H X S+ 0 0 84 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.878 106.2 50.8 -64.4 -41.2 -10.1 -5.5 0.7 52 214 A K H < S+ 0 0 104 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.826 112.8 51.2 -65.5 -29.7 -11.2 -2.7 3.0 53 215 A G H >< S+ 0 0 0 -4,-1.5 3,-1.4 2,-0.2 4,-0.3 0.947 112.4 39.4 -72.8 -53.1 -7.5 -2.6 4.0 54 216 A L H 3< S+ 0 0 30 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.715 101.4 80.1 -69.9 -17.8 -5.8 -2.4 0.7 55 217 A G T 3< S+ 0 0 63 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.707 118.2 3.9 -60.9 -22.5 -8.6 -0.1 -0.3 56 218 A S S < S+ 0 0 32 -3,-1.4 -52,-1.3 -4,-0.3 2,-0.3 0.112 116.4 82.0-153.3 28.3 -6.8 2.7 1.6 57 219 A S E -a 4 0A 1 -3,-0.4 -52,-0.2 -4,-0.3 -51,-0.1 -0.971 64.7-139.7-134.5 149.3 -3.5 1.4 2.8 58 220 A R E S+ 0 0 93 -54,-2.0 2,-0.3 -2,-0.3 -52,-0.2 0.870 85.8 5.0 -76.0 -37.5 -0.2 1.0 0.9 59 221 A F E -a 6 0A 11 -54,-1.8 -52,-0.9 -55,-0.2 2,-0.3 -0.845 64.7-144.9-138.3 175.2 0.6 -2.3 2.5 60 222 A G E -ac 7 92A 0 31,-2.5 33,-3.4 -2,-0.3 2,-0.4 -0.999 1.0-155.3-147.5 145.6 -0.8 -4.9 4.8 61 223 A I E -ac 8 93A 1 -54,-2.4 -52,-2.7 -2,-0.3 2,-0.5 -0.979 7.4-160.6-120.9 132.9 0.5 -7.3 7.4 62 224 A V E -ac 9 94A 0 31,-1.6 33,-2.4 -2,-0.4 2,-1.1 -0.966 15.5-139.0-116.2 123.0 -1.3 -10.6 8.3 63 225 A V E - c 0 95A 0 -54,-2.7 2,-1.4 -2,-0.5 -52,-0.4 -0.694 15.2-160.6 -82.7 101.0 -0.4 -12.1 11.7 64 226 A L E + c 0 96A 0 31,-2.4 33,-2.5 -2,-1.1 2,-0.2 -0.663 33.8 143.4 -86.1 88.5 -0.2 -15.8 11.0 65 227 A S E > - c 0 97A 2 -2,-1.4 4,-1.8 31,-0.2 5,-0.1 -0.550 67.1 -95.8-113.8-178.8 -0.6 -17.3 14.5 66 228 A T H > S+ 0 0 25 31,-0.5 4,-2.4 32,-0.3 5,-0.1 0.894 125.1 53.7 -69.6 -36.5 -2.4 -20.4 15.7 67 229 A H H 4 S+ 0 0 80 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.856 105.3 54.7 -64.3 -34.9 -5.5 -18.4 16.6 68 230 A F H >4 S+ 0 0 0 1,-0.2 3,-1.3 2,-0.2 5,-0.2 0.962 111.4 43.5 -63.1 -49.8 -5.6 -17.0 13.0 69 231 A F H >< S+ 0 0 2 -4,-1.8 3,-2.2 1,-0.2 4,-0.3 0.875 104.0 64.3 -63.6 -37.3 -5.6 -20.5 11.5 70 232 A K T 3< S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.603 83.7 77.0 -64.8 -8.3 -8.1 -21.8 14.0 71 233 A K T < S- 0 0 29 -3,-1.3 -1,-0.3 -4,-0.4 -28,-0.2 0.583 99.4-136.9 -74.4 -11.1 -10.7 -19.3 12.5 72 234 A E < - 0 0 47 -3,-2.2 -2,-0.1 -4,-0.1 -3,-0.1 0.932 28.8-172.7 52.5 63.6 -10.9 -21.8 9.6 73 235 A W - 0 0 20 -4,-0.3 2,-0.3 -5,-0.2 -1,-0.1 -0.219 37.8 -81.3 -76.8 167.7 -10.9 -19.6 6.6 74 236 A P > - 0 0 50 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.582 35.7-136.1 -72.3 129.6 -11.5 -20.8 3.0 75 237 A Q H > S+ 0 0 3 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.759 103.4 59.4 -60.3 -22.8 -8.2 -22.2 1.7 76 238 A K H > S+ 0 0 152 2,-0.2 4,-1.4 3,-0.2 -1,-0.2 0.947 108.9 41.1 -70.9 -47.6 -8.8 -20.4 -1.6 77 239 A E H > S+ 0 0 53 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.946 117.0 50.2 -63.1 -47.3 -9.0 -17.0 0.1 78 240 A L H X S+ 0 0 3 -4,-2.6 4,-0.5 1,-0.3 -2,-0.2 0.927 110.4 47.7 -56.6 -50.8 -6.0 -17.9 2.3 79 241 A D H < S+ 0 0 10 -4,-2.6 3,-0.4 1,-0.2 -1,-0.3 0.784 111.8 55.1 -62.4 -25.9 -3.9 -19.1 -0.6 80 242 A G H >< S+ 0 0 31 -4,-1.4 3,-2.6 1,-0.2 -2,-0.2 0.910 87.0 75.1 -74.6 -44.0 -4.9 -15.9 -2.3 81 243 A L H 3< S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.3 11,-0.2 0.741 100.7 44.9 -39.9 -31.7 -3.7 -13.4 0.3 82 244 A F T 3< S+ 0 0 4 -4,-0.5 30,-0.5 -3,-0.4 -1,-0.3 0.236 74.9 125.0-107.5 17.7 -0.1 -14.0 -0.6 83 245 A Q < - 0 0 146 -3,-2.6 9,-0.2 28,-0.1 2,-0.1 -0.562 63.9-117.9 -72.0 135.1 -0.1 -13.9 -4.4 84 246 A L - 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0 0 3 267,-0.1 2,-0.4 -34,-0.1 266,-0.3 -0.869 52.0-128.6-124.7 159.3 3.3 -21.6 15.5 100 262 A S > - 0 0 7 -2,-0.3 4,-1.1 1,-0.1 287,-0.2 -0.885 14.5-140.1-103.8 138.6 4.7 -25.0 14.8 101 263 A K T >4 S+ 0 0 51 285,-2.7 3,-0.8 -2,-0.4 4,-0.4 0.948 105.7 44.6 -62.0 -50.2 5.4 -26.0 11.2 102 264 A D G >4 S+ 0 0 35 284,-0.4 3,-0.7 287,-0.3 -1,-0.2 0.854 109.6 58.9 -62.1 -35.2 4.0 -29.5 11.7 103 265 A E G 34 S+ 0 0 29 1,-0.2 149,-2.7 148,-0.1 -1,-0.2 0.741 114.8 31.9 -68.5 -24.0 1.1 -28.2 13.6 104 266 A V G XX S+ 0 0 7 -4,-1.1 3,-1.2 -3,-0.8 4,-0.7 0.190 79.7 112.5-123.1 19.9 -0.2 -26.0 10.8 105 267 A A T <4 + 0 0 0 -3,-0.7 122,-0.5 -4,-0.4 -1,-0.1 0.726 69.3 64.7 -66.4 -25.8 0.7 -27.7 7.6 106 268 A S T 34 S+ 0 0 0 146,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.689 118.4 26.6 -72.1 -17.0 -2.9 -28.6 6.5 107 269 A F T <4 S+ 0 0 11 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.343 83.0 135.7-123.0 0.6 -3.6 -24.9 6.1 108 270 A S < - 0 0 16 -4,-0.7 2,-0.1 -7,-0.1 -3,-0.0 -0.350 54.8-127.9 -55.8 120.0 -0.2 -23.4 5.4 109 271 A P - 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