==== 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 TRANSFERASE, LYASE 26-SEP-07 2REE . COMPND 2 MOLECULE: CURA; . SOURCE 2 ORGANISM_SCIENTIFIC: LYNGBYA MAJUSCULA; . AUTHOR T.W.GEDERS,J.L.SMITH . 398 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 18.3 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 19 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 2 0 0 0 2 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 3 5 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 226 A N 0 0 113 0, 0.0 2,-1.3 0, 0.0 50,-0.0 0.000 360.0 360.0 360.0 -8.2 -40.3 -14.9 13.2 2 227 A Y - 0 0 190 200,-0.0 50,-1.0 2,-0.0 2,-0.3 -0.699 360.0-177.7 -79.1 91.6 -42.2 -17.2 15.7 3 228 A Y E -A 51 0A 51 -2,-1.3 2,-0.4 48,-0.2 48,-0.2 -0.730 17.0-163.6 -98.3 141.6 -42.9 -14.6 18.4 4 229 A N E -A 50 0A 80 46,-1.8 46,-2.6 -2,-0.3 2,-0.5 -0.972 3.6-159.3-118.8 142.4 -44.5 -15.1 21.8 5 230 A L E +A 49 0A 55 -2,-0.4 2,-0.3 44,-0.2 44,-0.2 -0.986 29.6 140.9-121.9 126.0 -45.9 -12.2 24.0 6 231 A R E -A 48 0A 46 42,-1.7 42,-3.2 -2,-0.5 -2,-0.0 -0.971 52.9 -87.6-154.8 162.9 -46.4 -12.9 27.7 7 232 A H - 0 0 68 -2,-0.3 40,-0.2 40,-0.2 37,-0.1 -0.498 56.4-103.9 -70.6 148.1 -46.2 -11.5 31.2 8 233 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.326 27.7-152.9 -74.9 160.0 -42.8 -11.9 32.8 9 234 A K > - 0 0 123 1,-0.1 3,-2.3 -2,-0.0 4,-0.2 -0.865 34.7-104.2-121.6 161.8 -41.8 -14.4 35.4 10 235 A I G > S+ 0 0 88 -2,-0.3 3,-2.3 1,-0.3 4,-0.2 0.870 119.0 66.3 -51.4 -39.5 -39.1 -14.2 38.1 11 236 A E G 3 S+ 0 0 153 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.693 90.0 65.8 -57.7 -20.1 -37.0 -16.6 35.9 12 237 A D G <> S+ 0 0 6 -3,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.501 73.9 101.6 -76.5 -7.0 -36.8 -13.9 33.2 13 238 A L H <> S+ 0 0 51 -3,-2.3 4,-1.8 1,-0.2 5,-0.2 0.891 79.5 42.4 -53.1 -51.7 -34.7 -11.7 35.5 14 239 A R H > S+ 0 0 213 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.884 115.0 50.3 -69.6 -35.3 -31.2 -12.3 34.1 15 240 A D H > S+ 0 0 86 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.859 110.5 50.3 -66.2 -37.3 -32.4 -12.1 30.4 16 241 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.811 109.3 50.2 -72.2 -32.0 -34.2 -8.8 31.1 17 242 A I H X S+ 0 0 30 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.914 110.9 50.7 -66.8 -43.7 -31.1 -7.3 32.7 18 243 A A H X S+ 0 0 47 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.911 109.8 49.9 -57.6 -45.9 -29.1 -8.5 29.7 19 244 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.896 108.3 53.5 -58.4 -42.2 -31.8 -6.8 27.4 20 245 A E H X S+ 0 0 5 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.928 109.4 48.2 -59.9 -46.7 -31.5 -3.6 29.5 21 246 A T H < S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.873 113.6 47.0 -61.8 -40.9 -27.6 -3.6 29.0 22 247 A L H < S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.823 115.7 44.6 -71.2 -32.5 -28.0 -4.1 25.2 23 248 A C H < S+ 0 0 26 -4,-2.2 2,-0.3 -5,-0.2 -2,-0.2 0.719 116.0 36.3 -85.7 -23.6 -30.7 -1.5 24.7 24 249 A W S < S- 0 0 59 -4,-1.6 -1,-0.1 -5,-0.2 5,-0.1 -0.965 78.2-111.9-136.1 146.7 -29.3 1.4 26.8 25 250 A S >> - 0 0 69 -2,-0.3 4,-1.6 1,-0.1 3,-1.4 -0.309 46.6 -98.9 -65.1 160.1 -25.9 3.0 27.7 26 251 A E T 34 S+ 0 0 153 1,-0.3 3,-0.1 2,-0.2 -1,-0.1 0.848 124.8 54.4 -47.5 -42.1 -24.8 2.6 31.3 27 252 A N T 34 S+ 0 0 68 1,-0.2 -1,-0.3 154,-0.1 154,-0.3 0.760 114.1 40.8 -67.2 -25.0 -26.0 6.2 32.1 28 253 A L T <4 S+ 0 0 38 -3,-1.4 -2,-0.2 153,-0.1 -1,-0.2 0.635 91.5 103.1 -99.4 -17.4 -29.5 5.4 30.8 29 254 A Q < - 0 0 56 -4,-1.6 2,-0.2 -3,-0.1 -8,-0.1 -0.304 66.1-131.2 -65.1 147.1 -30.1 1.8 32.1 30 255 A V - 0 0 46 1,-0.1 -1,-0.1 -13,-0.0 -6,-0.1 -0.624 37.0 -97.8 -88.9 159.3 -32.3 1.2 35.2 31 256 A D >> - 0 0 91 -2,-0.2 4,-1.7 1,-0.1 3,-0.5 -0.244 26.6-106.4 -81.3 170.3 -30.7 -1.0 37.9 32 257 A N H 3> S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.834 117.8 59.2 -62.6 -35.4 -31.3 -4.7 38.4 33 258 A E H 3> S+ 0 0 131 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.844 104.4 50.2 -62.6 -37.1 -33.4 -4.1 41.5 34 259 A E H <> S+ 0 0 19 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.903 108.3 51.6 -70.9 -39.7 -35.9 -2.1 39.4 35 260 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.941 111.9 48.9 -58.5 -45.1 -36.2 -4.8 36.8 36 261 A Y H X S+ 0 0 94 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.926 108.2 53.0 -61.1 -45.6 -36.9 -7.2 39.6 37 262 A R H X>S+ 0 0 40 -4,-2.5 4,-2.5 1,-0.2 5,-0.9 0.921 108.4 51.2 -53.8 -45.7 -39.6 -4.9 41.1 38 263 A R H X5S+ 0 0 7 -4,-2.2 4,-1.1 1,-0.2 7,-0.3 0.944 117.3 37.0 -61.5 -47.4 -41.4 -4.7 37.8 39 264 A I H <5S+ 0 0 3 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.833 124.3 39.8 -79.7 -28.8 -41.5 -8.5 37.3 40 265 A F H <5S+ 0 0 123 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.912 128.0 27.1 -82.2 -47.5 -42.1 -9.5 41.0 41 266 A K H <5S+ 0 0 127 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.819 135.4 23.4 -87.5 -35.5 -44.5 -6.8 42.1 42 267 A I ><< + 0 0 7 -4,-1.1 3,-1.9 -5,-0.9 4,-0.2 -0.362 63.3 149.0-131.2 53.1 -46.3 -5.8 38.9 43 268 A P G > S+ 0 0 42 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.824 74.1 61.5 -58.6 -30.2 -46.1 -8.7 36.4 44 269 A Q G 3 S+ 0 0 100 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.607 99.4 57.3 -70.4 -13.1 -49.5 -7.7 34.9 45 270 A G G < S+ 0 0 7 -3,-1.9 2,-0.3 -7,-0.3 -1,-0.3 0.413 100.1 67.6 -96.8 -0.4 -48.0 -4.4 33.8 46 271 A Q < - 0 0 0 -3,-1.3 2,-0.4 -4,-0.2 14,-0.2 -0.927 59.4-160.2-123.5 147.0 -45.1 -5.7 31.8 47 272 A F E - B 0 59A 11 12,-2.6 12,-2.4 -2,-0.3 2,-0.4 -0.994 6.3-156.2-128.0 138.0 -44.9 -7.7 28.5 48 273 A I E -AB 6 58A 0 -42,-3.2 -42,-1.7 -2,-0.4 2,-0.6 -0.875 7.5-146.2-110.4 137.5 -42.0 -9.8 27.2 49 274 A L E -AB 5 57A 13 8,-3.1 7,-3.1 -2,-0.4 8,-1.4 -0.934 20.1-167.6-106.5 119.5 -41.3 -10.6 23.6 50 275 A E E -AB 4 55A 29 -46,-2.6 -46,-1.8 -2,-0.6 2,-0.5 -0.828 18.1-165.8-108.1 143.5 -39.7 -14.0 23.0 51 276 A L E S-A 3 0A 36 3,-3.4 3,-0.3 -2,-0.3 -48,-0.2 -0.903 81.9 -34.4-126.6 99.5 -38.1 -15.5 19.9 52 277 A E S S- 0 0 136 -50,-1.0 -1,-0.1 -2,-0.5 3,-0.1 0.961 126.9 -36.9 47.9 71.2 -37.9 -19.2 20.4 53 278 A D S S+ 0 0 151 1,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.606 121.1 106.8 62.5 16.0 -37.2 -19.3 24.2 54 279 A K - 0 0 99 -3,-0.3 -3,-3.4 -39,-0.0 2,-0.4 -0.987 69.6-129.6-126.5 127.2 -35.1 -16.1 23.9 55 280 A I E +B 50 0A 12 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.594 34.1 162.3 -75.6 127.2 -36.2 -12.7 25.1 56 281 A V E + 0 0 0 -7,-3.1 41,-3.0 -2,-0.4 2,-0.3 0.327 62.4 15.8-124.7 -2.7 -35.7 -10.0 22.4 57 282 A G E -BC 49 96A 0 -8,-1.4 -8,-3.1 39,-0.2 2,-0.3 -0.987 51.1-173.9-165.3 163.8 -38.0 -7.3 23.8 58 283 A A E -BC 48 95A 0 37,-2.3 37,-3.5 -2,-0.3 2,-0.4 -0.961 10.1-158.3-158.9 143.4 -40.0 -5.9 26.7 59 284 A I E -BC 47 94A 0 -12,-2.4 -12,-2.6 -2,-0.3 2,-0.3 -0.999 22.5-162.4-125.2 131.7 -42.4 -3.1 27.4 60 285 A Y E + C 0 93A 0 33,-2.4 32,-2.6 -2,-0.4 33,-1.0 -0.828 14.0 163.0-119.7 153.5 -42.7 -1.9 31.0 61 286 A S E - C 0 91A 7 -2,-0.3 2,-0.3 30,-0.3 30,-0.2 -0.987 15.6-167.3-158.5 163.4 -45.3 0.1 33.0 62 287 A Q E - C 0 90A 0 28,-1.9 28,-3.5 -2,-0.3 2,-0.4 -0.942 29.1-111.7-144.9 169.0 -46.6 1.1 36.4 63 288 A R E + C 0 89A 48 -2,-0.3 20,-2.7 26,-0.2 2,-0.3 -0.880 34.4 174.3-109.0 135.9 -49.7 2.9 37.7 64 289 A I E - C 0 88A 0 24,-2.8 24,-2.2 -2,-0.4 18,-0.1 -0.875 37.7-116.9-133.1 166.7 -49.6 6.3 39.2 65 290 A D S S- 0 0 84 16,-0.3 22,-0.2 -2,-0.3 -1,-0.1 0.857 87.0 -18.3 -76.4 -37.8 -52.3 8.9 40.4 66 291 A N > - 0 0 55 22,-0.1 3,-1.1 20,-0.1 -1,-0.3 -0.958 57.9-114.9-166.8 153.1 -51.6 11.7 38.1 67 292 A P G > S+ 0 0 9 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.725 105.4 73.7 -68.8 -22.7 -48.8 13.0 35.8 68 293 A Q G > S+ 0 0 117 1,-0.3 3,-1.5 2,-0.2 0, 0.0 0.785 83.3 70.8 -61.5 -27.6 -48.2 16.2 37.8 69 294 A L G < S+ 0 0 55 -3,-1.1 -1,-0.3 1,-0.3 12,-0.0 0.688 87.6 64.9 -57.4 -22.1 -46.5 13.9 40.4 70 295 A L G X S+ 0 0 1 -3,-2.0 3,-1.8 -4,-0.2 -1,-0.3 0.644 76.5 111.3 -78.3 -17.9 -43.7 13.4 37.9 71 296 A D T < S+ 0 0 46 -3,-1.5 3,-0.1 -4,-0.3 104,-0.1 -0.356 90.3 2.4 -56.2 134.2 -42.7 17.1 38.2 72 297 A N T 3 S+ 0 0 158 104,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.633 105.1 123.8 64.2 15.9 -39.4 17.7 39.9 73 298 A K < - 0 0 51 -3,-1.8 2,-0.3 103,-0.0 -1,-0.2 -0.747 54.4-135.0-101.0 155.9 -38.8 13.9 40.3 74 299 A T >> - 0 0 36 -2,-0.3 3,-1.6 -3,-0.1 4,-1.2 -0.738 30.0-108.2-101.1 160.2 -35.8 11.8 39.1 75 300 A C T 34 S+ 0 0 41 103,-3.0 104,-0.1 -2,-0.3 3,-0.1 0.782 118.7 58.3 -57.6 -28.4 -36.2 8.5 37.3 76 301 A T T 34 S+ 0 0 119 102,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.729 106.6 48.5 -78.2 -17.4 -34.9 6.7 40.4 77 302 A Q T X4 S+ 0 0 78 -3,-1.6 3,-2.0 1,-0.1 4,-0.4 0.721 89.3 82.2 -86.4 -26.9 -37.7 8.1 42.6 78 303 A V G >< S+ 0 0 6 -4,-1.2 3,-1.9 1,-0.3 4,-0.4 0.793 77.8 67.4 -60.6 -29.8 -40.6 7.3 40.2 79 304 A P G > S+ 0 0 24 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.835 93.5 62.7 -52.9 -29.1 -40.9 3.7 41.4 80 305 A L G < S+ 0 0 149 -3,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.674 93.2 64.4 -70.3 -17.2 -42.1 5.1 44.7 81 306 A L G < S+ 0 0 30 -3,-1.9 -16,-0.3 -4,-0.4 -1,-0.3 0.617 73.5 120.6 -80.6 -14.7 -45.1 6.7 42.9 82 307 A H < + 0 0 36 -3,-1.4 2,-0.4 -4,-0.4 -18,-0.2 -0.261 37.2 178.4 -56.1 130.9 -46.6 3.3 42.0 83 308 A T > - 0 0 47 -20,-2.7 3,-2.1 1,-0.1 -2,-0.0 -0.989 32.8-134.1-134.8 133.3 -50.1 2.7 43.3 84 309 A E T 3 S+ 0 0 166 -2,-0.4 -1,-0.1 1,-0.3 -20,-0.1 0.777 107.5 37.7 -50.8 -34.2 -52.2 -0.4 42.6 85 310 A S T 3 S+ 0 0 84 -22,-0.1 -1,-0.3 -3,-0.0 -21,-0.1 0.216 81.1 144.7-107.9 15.6 -55.3 1.7 41.8 86 311 A G < - 0 0 0 -3,-2.1 -21,-0.2 -23,-0.2 -22,-0.1 -0.297 45.3-145.1 -60.3 136.5 -53.7 4.6 39.9 87 312 A V S S+ 0 0 41 -22,-0.2 37,-3.5 36,-0.1 38,-1.4 0.550 81.3 69.3 -79.1 -8.5 -55.8 5.9 37.1 88 313 A V E S-Cd 64 125A 3 -24,-2.2 -24,-2.8 35,-0.2 2,-0.6 -0.942 70.7-148.9-113.9 128.6 -52.8 6.7 34.9 89 314 A V E -Cd 63 126A 2 36,-2.7 38,-2.5 -2,-0.5 2,-0.7 -0.851 12.7-155.8 -91.0 124.2 -50.5 4.0 33.4 90 315 A Q E -Cd 62 127A 0 -28,-3.5 -28,-1.9 -2,-0.6 2,-0.4 -0.898 8.3-144.2 -97.6 113.2 -46.9 5.3 33.1 91 316 A L E -Cd 61 128A 4 36,-2.9 38,-0.8 -2,-0.7 -30,-0.3 -0.642 14.6-170.5 -73.2 130.7 -45.0 3.4 30.4 92 317 A L E - 0 0 25 -32,-2.6 2,-0.3 -2,-0.4 -31,-0.2 0.735 56.9 -22.6 -99.0 -28.0 -41.5 3.1 31.7 93 318 A A E -C 60 0A 18 -33,-1.0 -33,-2.4 2,-0.0 2,-0.4 -0.914 40.6-142.7-174.9 152.1 -39.6 1.8 28.6 94 319 A V E -C 59 0A 33 -2,-0.3 2,-0.5 -35,-0.2 -35,-0.2 -0.978 30.2-171.6-121.7 113.3 -39.9 0.0 25.3 95 320 A N E +C 58 0A 1 -37,-3.5 -37,-2.3 -2,-0.4 2,-0.4 -0.933 12.0 172.1-115.1 125.2 -36.9 -2.2 24.8 96 321 A I E -C 57 0A 12 -2,-0.5 -39,-0.2 -39,-0.2 5,-0.1 -0.999 44.2-104.0-128.8 127.5 -36.1 -4.1 21.5 97 322 A L > - 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