==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-JUN-09 3HVW . COMPND 2 MOLECULE: DIGUANYLATE-CYCLASE (DGC); . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.FOROUHAR,S.LEW,J.SEETHARAMAN,S.SAHDEV,R.XIAO,C.CICCOSANTI, . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 17.0 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 0 0 0 0 2 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 0 0 1 1 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 . 1 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 1 175 A Y 0 0 156 0, 0.0 66,-3.0 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 137.8 27.7 62.6 1.6 2 176 A N > - 0 0 95 64,-0.2 4,-1.8 66,-0.0 66,-0.2 -0.247 360.0 -80.6 -98.1-174.1 30.9 62.5 3.6 3 177 A R H > S+ 0 0 101 64,-0.5 4,-2.0 65,-0.2 5,-0.2 0.892 126.5 49.2 -53.7 -48.5 31.9 61.5 7.2 4 178 A L H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 108.3 53.8 -61.4 -43.0 30.8 64.8 8.7 5 179 A R H > S+ 0 0 93 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.876 107.1 52.0 -60.1 -39.4 27.4 64.8 7.0 6 180 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.945 109.2 48.9 -63.2 -47.2 26.7 61.3 8.4 7 181 A Q H X S+ 0 0 38 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.903 114.3 47.1 -59.1 -41.1 27.5 62.4 11.9 8 182 A E H X S+ 0 0 86 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.931 112.8 46.6 -66.8 -47.5 25.2 65.4 11.4 9 183 A D H X S+ 0 0 34 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.879 111.6 52.4 -64.0 -37.3 22.3 63.4 9.9 10 184 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.932 108.5 51.0 -64.2 -43.1 22.6 60.8 12.7 11 185 A S H X S+ 0 0 23 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.917 112.6 46.5 -60.2 -42.4 22.4 63.6 15.3 12 186 A L H X S+ 0 0 89 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.894 113.0 47.3 -67.9 -41.3 19.3 65.0 13.6 13 187 A R H X>S+ 0 0 67 -4,-2.5 4,-3.3 2,-0.2 5,-0.6 0.873 110.8 52.4 -69.7 -35.9 17.5 61.7 13.2 14 188 A L H X5S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 106,-0.2 0.933 108.8 48.9 -65.8 -44.3 18.3 60.6 16.8 15 189 A Q H <5S+ 0 0 116 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.857 121.3 36.9 -62.3 -34.5 16.8 63.8 18.3 16 190 A R H <5S+ 0 0 175 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.869 132.1 23.1 -86.7 -40.7 13.7 63.4 16.2 17 191 A D H <5S- 0 0 44 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.647 90.2-131.7-102.6 -21.0 13.1 59.7 16.2 18 192 A G S <> - 0 0 49 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.295 41.2-120.7 -60.4 146.0 41.8 46.7 5.0 30 204 A L H 3> S+ 0 0 89 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.895 114.5 57.3 -55.0 -40.2 43.6 50.0 4.5 31 205 A A H 3> S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.873 106.3 47.9 -59.4 -39.4 46.9 48.0 4.2 32 206 A L H <> S+ 0 0 83 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.855 109.0 53.7 -70.7 -35.2 45.4 45.9 1.3 33 207 A L H X S+ 0 0 9 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.927 108.7 50.2 -63.5 -42.7 44.2 49.1 -0.4 34 208 A N H X S+ 0 0 85 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.869 107.0 53.5 -64.1 -34.8 47.8 50.4 -0.1 35 209 A T H X S+ 0 0 60 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.916 109.8 49.3 -64.7 -40.5 49.1 47.1 -1.6 36 210 A I H X>S+ 0 0 18 -4,-2.2 4,-3.2 1,-0.2 5,-0.7 0.913 109.4 51.7 -64.5 -41.4 46.8 47.7 -4.5 37 211 A I H X5S+ 0 0 48 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.922 113.5 43.3 -62.1 -43.5 47.9 51.3 -4.9 38 212 A R H <5S+ 0 0 189 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.845 122.0 39.9 -70.3 -33.5 51.6 50.3 -5.1 39 213 A T H <5S+ 0 0 93 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.863 135.4 13.1 -85.2 -39.3 50.9 47.4 -7.4 40 214 A L H <5S- 0 0 84 -4,-3.2 4,-0.3 -5,-0.2 -3,-0.2 0.460 111.3-102.1-117.9 -7.3 48.3 48.7 -9.8 41 215 A G X< - 0 0 25 -4,-1.3 4,-1.7 -5,-0.7 -1,-0.2 0.006 28.0 -86.7 101.3 153.4 48.4 52.5 -9.1 42 216 A Y H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.906 123.0 56.1 -63.2 -44.1 46.3 55.0 -7.3 43 217 A P H > S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.912 106.2 52.1 -55.9 -41.5 43.9 55.7 -10.2 44 218 A F H > S+ 0 0 8 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.932 108.5 50.9 -59.3 -45.2 43.1 52.0 -10.3 45 219 A S H X S+ 0 0 5 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.845 109.3 50.4 -63.3 -33.8 42.3 52.0 -6.6 46 220 A N H X S+ 0 0 71 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.934 110.1 49.4 -69.6 -44.2 40.0 55.0 -7.0 47 221 A D H X S+ 0 0 55 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.872 108.0 56.3 -60.5 -37.1 38.2 53.2 -9.8 48 222 A L H X S+ 0 0 9 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.926 109.2 44.2 -61.1 -46.6 37.9 50.1 -7.6 49 223 A X H X S+ 0 0 13 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.820 111.4 54.4 -69.8 -29.5 36.1 52.0 -4.9 50 224 A L H X S+ 0 0 57 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.887 109.0 48.4 -70.1 -37.3 33.9 53.8 -7.4 51 225 A E H X S+ 0 0 77 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.876 110.3 51.2 -68.9 -35.9 32.8 50.4 -8.8 52 226 A A H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.918 109.6 51.2 -65.4 -41.8 32.2 49.2 -5.2 53 227 A R H X S+ 0 0 101 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.914 108.5 51.0 -60.0 -46.0 30.1 52.3 -4.6 54 228 A D H X S+ 0 0 64 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.857 108.3 52.0 -63.0 -35.6 28.0 51.7 -7.8 55 229 A R H X S+ 0 0 51 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.897 111.3 46.2 -69.0 -39.0 27.3 48.1 -6.8 56 230 A I H X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.922 111.9 52.0 -67.9 -41.9 26.0 49.2 -3.4 57 231 A R H < S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 110.8 48.5 -61.5 -34.5 24.0 51.9 -5.0 58 232 A A H < S+ 0 0 72 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.845 115.1 43.5 -74.9 -34.3 22.5 49.3 -7.4 59 233 A E H < S+ 0 0 91 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.823 127.6 29.1 -79.3 -33.7 21.6 46.9 -4.6 60 234 A L >< + 0 0 13 -4,-2.7 3,-1.5 -5,-0.2 -1,-0.2 -0.567 68.2 157.0-127.2 66.4 20.3 49.5 -2.2 61 235 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.821 73.8 57.4 -61.0 -32.9 18.8 52.3 -4.4 62 236 A D T 3 S+ 0 0 149 -3,-0.1 2,-0.4 2,-0.1 -5,-0.1 0.159 94.4 88.2 -86.2 19.5 16.5 53.6 -1.7 63 237 A F S < S- 0 0 25 -3,-1.5 2,-0.5 -6,-0.2 -3,-0.1 -0.962 77.3-126.8-123.0 137.0 19.4 54.1 0.7 64 238 A T - 0 0 71 -2,-0.4 2,-0.6 12,-0.3 12,-0.6 -0.691 28.8-146.8 -78.6 122.6 21.6 57.2 1.1 65 239 A L E -C 75 0A 28 -2,-0.5 2,-0.3 10,-0.1 10,-0.2 -0.833 12.6-163.5 -98.8 120.1 25.2 56.1 0.8 66 240 A Y E -C 74 0A 12 8,-3.0 8,-2.9 -2,-0.6 2,-0.7 -0.727 16.6-133.4-100.9 150.5 27.8 57.9 2.9 67 241 A K E +C 73 0A 69 -66,-3.0 -64,-0.5 -2,-0.3 6,-0.2 -0.895 29.2 168.8-105.2 108.1 31.5 57.8 2.4 68 242 A I E - 0 0 19 4,-1.6 -65,-0.2 -2,-0.7 5,-0.2 0.935 64.5 -15.5 -82.0 -54.6 33.3 57.3 5.7 69 243 A S E > S-C 72 0A 23 3,-1.5 3,-0.7 -67,-0.1 -1,-0.2 -0.835 82.8 -80.6-141.8 177.7 36.8 56.6 4.7 70 244 A P T 3 S+ 0 0 76 0, 0.0 -21,-0.0 0, 0.0 3,-0.0 0.657 133.6 26.1 -60.7 -11.9 38.7 55.6 1.5 71 245 A T T 3 S+ 0 0 2 1,-0.1 -44,-2.7 -44,-0.0 -43,-0.4 0.378 113.1 78.8-128.4 0.2 37.6 52.0 2.0 72 246 A R E < -BC 26 69A 56 -3,-0.7 -4,-1.6 -46,-0.2 -3,-1.5 -0.927 49.3-171.2-122.9 139.3 34.4 52.5 4.1 73 247 A F E -BC 25 67A 7 -48,-2.4 -48,-2.9 -2,-0.4 2,-0.4 -0.857 14.6-146.1-118.3 154.2 30.8 53.4 3.2 74 248 A G E -BC 24 66A 1 -8,-2.9 -8,-3.0 -2,-0.3 2,-0.4 -0.944 8.7-166.2-126.5 147.9 28.1 54.1 5.7 75 249 A L E -BC 23 65A 4 -52,-2.3 -52,-2.5 -2,-0.4 2,-0.6 -0.982 10.4-149.8-129.1 140.4 24.3 53.5 5.7 76 250 A L E -B 22 0A 18 -12,-0.6 -12,-0.3 -2,-0.4 -54,-0.2 -0.950 9.0-166.1-114.9 114.9 21.8 55.1 8.0 77 251 A L E -B 21 0A 0 -56,-3.4 -56,-2.7 -2,-0.6 5,-0.1 -0.896 19.4-134.2-103.3 113.3 18.7 53.0 8.8 78 252 A P E > -B 20 0A 13 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.137 30.1 -99.1 -59.6 159.9 15.9 55.0 10.5 79 253 A R G > S+ 0 0 138 -60,-0.9 3,-1.4 1,-0.3 4,-0.3 0.863 122.5 60.0 -48.5 -42.3 14.1 53.6 13.5 80 254 A Q G 3 S+ 0 0 116 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.807 112.3 37.3 -58.8 -33.1 11.3 52.5 11.3 81 255 A Q G X S+ 0 0 56 -3,-1.5 3,-2.0 1,-0.2 -1,-0.3 0.136 75.6 109.9-110.5 23.2 13.5 50.2 9.3 82 256 A Q G X S+ 0 0 48 -3,-1.4 3,-1.7 1,-0.3 4,-0.3 0.772 72.1 70.9 -65.6 -20.7 15.9 48.9 11.9 83 257 A E G 3 S+ 0 0 157 -3,-0.3 -1,-0.3 -4,-0.3 4,-0.2 0.612 92.3 58.5 -69.5 -9.4 14.1 45.6 11.3 84 258 A E G <> S+ 0 0 74 -3,-2.0 4,-2.6 1,-0.1 -1,-0.3 0.439 74.6 103.3 -98.2 -0.7 15.8 45.5 7.9 85 259 A T H <> S+ 0 0 1 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 0.914 84.2 40.5 -46.5 -60.1 19.4 45.6 9.4 86 260 A E H > S+ 0 0 71 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.842 114.2 54.2 -62.0 -33.9 20.2 41.9 8.8 87 261 A S H > S+ 0 0 52 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 108.6 48.7 -67.9 -38.8 18.5 41.9 5.4 88 262 A V H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.928 112.4 49.0 -65.9 -44.0 20.7 44.8 4.3 89 263 A C H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.931 111.3 48.8 -61.9 -45.4 23.8 43.1 5.6 90 264 A L H X S+ 0 0 95 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.894 110.5 51.5 -61.9 -39.7 22.9 39.9 3.8 91 265 A R H X S+ 0 0 145 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.885 111.0 47.9 -64.5 -38.9 22.3 41.7 0.6 92 266 A L H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.908 111.1 50.3 -68.7 -41.5 25.6 43.4 0.8 93 267 A L H < S+ 0 0 41 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.935 112.8 46.7 -61.3 -44.9 27.4 40.2 1.6 94 268 A R H >X S+ 0 0 156 -4,-2.5 3,-1.6 1,-0.2 4,-0.5 0.922 109.1 55.5 -62.8 -42.3 25.7 38.5 -1.4 95 269 A A H 3< S+ 0 0 11 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.826 110.9 44.9 -60.9 -32.3 26.6 41.5 -3.6 96 270 A F T 3< S+ 0 0 4 -4,-1.7 -1,-0.3 -3,-0.2 13,-0.3 0.249 83.5 91.9-100.7 17.4 30.3 41.2 -2.8 97 271 A E T <4 S+ 0 0 107 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.1 0.869 83.1 64.2 -73.4 -34.3 30.6 37.5 -3.2 98 272 A S S < S- 0 0 58 -4,-0.5 11,-0.3 -3,-0.4 9,-0.1 -0.660 103.3 -97.5 -88.7 143.7 31.6 38.1 -6.8 99 273 A P - 0 0 53 0, 0.0 2,-0.6 0, 0.0 9,-0.3 -0.171 31.1-118.3 -57.6 151.8 34.8 40.1 -7.5 100 274 A V E -E 107 0B 0 7,-3.2 7,-2.2 -4,-0.1 2,-0.5 -0.847 33.1-151.1 -91.0 121.3 34.6 43.8 -8.2 101 275 A V E +E 106 0B 73 -2,-0.6 2,-0.4 5,-0.2 -3,-0.0 -0.845 24.3 162.8-101.9 125.1 36.0 44.2 -11.7 102 276 A C E > -E 105 0B 7 3,-1.9 3,-2.0 -2,-0.5 -54,-0.1 -0.996 68.5 -2.1-142.4 135.6 37.7 47.4 -12.7 103 277 A R T 3 S- 0 0 141 -2,-0.4 -1,-0.1 1,-0.3 -59,-0.0 0.846 129.7 -59.6 55.6 35.3 39.9 48.1 -15.7 104 278 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.424 114.2 111.3 77.3 0.0 39.6 44.5 -16.6 105 279 A I E < -E 102 0B 68 -3,-2.0 -3,-1.9 2,-0.0 2,-0.3 -0.918 61.1-138.2-111.3 123.8 41.0 43.1 -13.3 106 280 A P E -E 101 0B 81 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.612 17.7-170.6 -81.1 137.5 38.8 41.3 -10.8 107 281 A I E -E 100 0B 27 -7,-2.2 -7,-3.2 -2,-0.3 2,-0.7 -0.976 16.1-141.7-128.4 116.6 39.4 42.1 -7.1 108 282 A K - 0 0 95 -2,-0.5 2,-0.5 -9,-0.3 -11,-0.1 -0.681 17.4-161.5 -81.3 114.8 37.6 40.0 -4.5 109 283 A A - 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