==== 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 2REF . COMPND 2 MOLECULE: CURA; . SOURCE 2 ORGANISM_SCIENTIFIC: LYNGBYA MAJUSCULA; . AUTHOR T.W.GEDERS,J.L.SMITH . 406 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 65.5 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 . 76 18.7 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 . 22 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 18.7 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 2 0 0 2 2 0 0 2 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 2 4 2 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 1 222 A C 0 0 145 0, 0.0 2,-1.0 0, 0.0 211,-0.1 0.000 360.0 360.0 360.0 159.3 38.1 -10.4 20.2 2 223 A F - 0 0 18 1,-0.1 209,-0.2 209,-0.1 211,-0.1 -0.659 360.0-132.1 -71.0 102.1 40.9 -11.1 17.8 3 224 A E - 0 0 49 -2,-1.0 -1,-0.1 1,-0.1 104,-0.0 0.698 18.3-162.2 -11.4 -73.1 39.1 -12.3 14.7 4 225 A N + 0 0 48 1,-0.2 2,-0.4 205,-0.1 -1,-0.1 0.907 31.6 157.1 65.3 50.1 41.2 -15.4 13.9 5 226 A N - 0 0 57 204,-0.1 2,-1.2 51,-0.0 -1,-0.2 -0.870 48.9-116.9-109.0 138.2 39.8 -15.6 10.3 6 227 A Y - 0 0 149 -2,-0.4 50,-1.3 202,-0.1 2,-0.4 -0.583 40.0-176.9 -77.5 96.2 41.6 -17.4 7.4 7 228 A Y E -A 55 0A 3 -2,-1.2 2,-0.4 200,-0.3 48,-0.2 -0.774 8.8-165.7 -97.0 137.6 42.3 -14.6 4.9 8 229 A N E -A 54 0A 68 46,-2.3 46,-2.8 -2,-0.4 2,-0.5 -0.980 3.1-163.8-123.0 137.4 43.9 -15.1 1.4 9 230 A L E +A 53 0A 28 -2,-0.4 2,-0.3 44,-0.2 44,-0.2 -0.972 27.1 140.6-122.9 119.1 45.4 -12.5 -0.8 10 231 A R E -A 52 0A 46 42,-1.7 42,-3.2 -2,-0.5 -2,-0.0 -0.935 53.2 -84.9-148.1 165.9 46.1 -13.2 -4.5 11 232 A H - 0 0 67 -2,-0.3 40,-0.2 40,-0.2 37,-0.1 -0.512 54.8-104.5 -70.6 145.0 45.9 -11.8 -8.0 12 233 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.289 31.2-158.8 -67.9 156.6 42.5 -12.1 -9.7 13 234 A K > - 0 0 122 1,-0.0 3,-1.8 34,-0.0 4,-0.2 -0.846 37.0 -98.2-126.4 167.5 41.7 -14.6 -12.4 14 235 A I G > S+ 0 0 86 -2,-0.3 3,-2.1 1,-0.3 4,-0.2 0.852 118.9 65.7 -56.5 -36.8 39.0 -14.5 -15.0 15 236 A E G 3 S+ 0 0 140 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.720 92.0 64.5 -56.4 -23.1 36.8 -16.8 -12.9 16 237 A D G <> S+ 0 0 5 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.488 73.6 99.8 -80.3 -3.7 36.5 -14.1 -10.2 17 238 A L H <> S+ 0 0 47 -3,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.888 80.9 45.2 -53.0 -50.6 34.6 -11.8 -12.6 18 239 A R H > S+ 0 0 212 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.881 114.0 49.0 -65.9 -40.1 31.1 -12.5 -11.3 19 240 A D H > S+ 0 0 85 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.815 110.5 51.1 -67.5 -34.0 32.1 -12.2 -7.6 20 241 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.844 109.2 50.3 -72.8 -33.7 34.0 -9.0 -8.2 21 242 A I H X S+ 0 0 35 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.915 110.4 50.4 -67.2 -43.4 30.9 -7.5 -10.0 22 243 A A H X S+ 0 0 47 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.910 108.5 53.1 -56.9 -43.8 28.8 -8.6 -7.0 23 244 A L H X S+ 0 0 4 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.841 104.7 55.1 -63.3 -35.8 31.3 -6.9 -4.7 24 245 A E H X S+ 0 0 7 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.916 107.1 50.5 -63.0 -44.4 31.0 -3.6 -6.6 25 246 A T H < S+ 0 0 78 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.893 111.9 46.6 -60.2 -44.1 27.3 -3.6 -6.1 26 247 A L H < S+ 0 0 112 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.794 115.8 44.4 -73.1 -26.2 27.5 -4.2 -2.4 27 248 A C H < S+ 0 0 27 -4,-1.6 2,-0.4 -5,-0.2 -1,-0.2 0.689 114.5 38.3 -92.4 -22.7 30.2 -1.5 -1.7 28 249 A W S < S- 0 0 65 -4,-1.5 -1,-0.1 -5,-0.1 5,-0.1 -0.980 78.4-111.1-136.8 143.9 29.0 1.4 -3.8 29 250 A S >> - 0 0 69 -2,-0.4 3,-1.9 1,-0.1 4,-1.0 -0.198 47.1 -98.1 -60.6 161.5 25.7 3.1 -4.7 30 251 A E T 34 S+ 0 0 161 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.814 123.6 57.7 -53.7 -34.1 24.6 2.8 -8.4 31 252 A N T 34 S+ 0 0 74 1,-0.2 -1,-0.3 154,-0.1 154,-0.2 0.608 112.0 39.8 -70.2 -14.8 26.1 6.3 -9.1 32 253 A L T <4 S+ 0 0 37 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.497 88.1 107.8-119.0 -7.7 29.6 5.3 -8.0 33 254 A Q < - 0 0 56 -4,-1.0 2,-0.2 -3,-0.3 -8,-0.1 -0.447 63.9-132.3 -70.5 141.3 29.9 1.7 -9.3 34 255 A V - 0 0 45 -2,-0.1 -2,-0.1 1,-0.1 -1,-0.0 -0.660 35.8-101.1 -85.4 156.2 32.2 1.0 -12.3 35 256 A D >> - 0 0 97 -2,-0.2 4,-1.6 1,-0.1 3,-0.9 -0.269 27.7-101.9 -82.4 166.4 30.7 -1.1 -15.0 36 257 A N H 3> S+ 0 0 85 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.840 119.3 55.8 -50.9 -40.1 31.2 -4.8 -15.7 37 258 A E H 3> S+ 0 0 136 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.812 103.7 52.8 -67.6 -32.9 33.5 -4.1 -18.6 38 259 A E H <> S+ 0 0 18 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.865 109.0 49.7 -71.3 -36.6 35.9 -2.0 -16.5 39 260 A I H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.934 112.0 49.5 -63.5 -46.5 36.2 -4.8 -14.0 40 261 A Y H X S+ 0 0 99 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.916 109.1 51.4 -58.1 -46.2 36.9 -7.2 -16.8 41 262 A R H X>S+ 0 0 40 -4,-2.6 4,-2.7 1,-0.2 5,-0.8 0.931 109.1 51.4 -56.8 -48.3 39.6 -4.8 -18.3 42 263 A R H X5S+ 0 0 8 -4,-2.2 4,-0.9 1,-0.2 7,-0.2 0.916 117.2 36.9 -57.4 -48.1 41.3 -4.6 -14.9 43 264 A I H <5S+ 0 0 2 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.699 124.1 41.9 -81.6 -19.5 41.5 -8.4 -14.4 44 265 A F H <5S+ 0 0 125 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.917 123.8 30.0 -89.3 -53.0 42.2 -9.3 -18.0 45 266 A K H <5S+ 0 0 138 -4,-2.7 -3,-0.2 -5,-0.3 3,-0.1 0.883 135.5 22.0 -75.9 -40.2 44.7 -6.6 -19.2 46 267 A I ><< + 0 0 8 -4,-0.9 3,-1.3 -5,-0.8 -1,-0.2 -0.489 60.2 153.6-130.6 61.1 46.5 -6.0 -15.9 47 268 A P G > S+ 0 0 44 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.879 73.4 66.7 -55.0 -34.2 46.1 -8.9 -13.4 48 269 A Q G 3 S+ 0 0 102 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.691 97.7 52.5 -58.2 -25.7 49.5 -7.9 -11.8 49 270 A G G < S+ 0 0 8 -3,-1.3 16,-0.6 -7,-0.2 2,-0.3 0.152 99.8 73.1-103.2 17.9 48.0 -4.6 -10.5 50 271 A Q E < - B 0 64A 0 -3,-1.7 2,-0.4 14,-0.2 14,-0.2 -0.940 57.5-161.2-128.5 152.8 45.0 -6.0 -8.7 51 272 A F E - B 0 63A 9 12,-2.3 12,-2.3 -2,-0.3 2,-0.4 -0.998 4.7-154.7-136.0 136.4 44.4 -8.0 -5.5 52 273 A I E -AB 10 62A 0 -42,-3.2 -42,-1.7 -2,-0.4 2,-0.5 -0.873 8.8-149.3-104.1 136.1 41.5 -10.1 -4.3 53 274 A L E -AB 9 61A 0 8,-3.9 7,-2.9 -2,-0.4 8,-1.6 -0.944 17.5-169.0-105.5 123.8 40.8 -10.7 -0.6 54 275 A E E -AB 8 59A 31 -46,-2.8 -46,-2.3 -2,-0.5 2,-0.5 -0.912 18.1-166.3-114.8 137.7 39.2 -14.0 0.2 55 276 A L E > S-AB 7 58A 30 3,-2.7 3,-1.3 -2,-0.4 2,-0.2 -0.977 78.0 -39.9-117.6 115.2 37.6 -15.3 3.4 56 277 A E T 3 S- 0 0 132 -50,-1.3 -48,-0.1 -2,-0.5 -51,-0.0 -0.540 125.9 -29.0 61.2-132.7 37.2 -19.0 3.1 57 278 A D T 3 S+ 0 0 145 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.0 0.789 121.7 101.3 -71.3 -28.6 36.0 -19.5 -0.5 58 279 A K E < S-B 55 0A 105 -3,-1.3 -3,-2.7 -4,-0.1 2,-0.6 -0.246 70.4-132.6 -77.8 140.3 34.4 -16.1 -0.5 59 280 A I E +B 54 0A 5 -5,-0.2 -5,-0.3 1,-0.1 -1,-0.1 -0.800 35.5 160.3 -86.4 121.5 35.6 -12.8 -2.1 60 281 A V E + 0 0 3 -7,-2.9 41,-2.7 -2,-0.6 2,-0.3 0.471 57.8 21.6-122.2 -10.4 35.2 -10.1 0.6 61 282 A G E -BC 53 100A 0 -8,-1.6 -8,-3.9 39,-0.2 2,-0.3 -0.994 53.1-175.2-160.7 154.4 37.6 -7.4 -0.6 62 283 A A E -BC 52 99A 0 37,-2.4 37,-3.5 -2,-0.3 2,-0.4 -0.991 9.5-161.1-154.0 144.3 39.5 -6.0 -3.6 63 284 A I E -BC 51 98A 1 -12,-2.3 -12,-2.3 -2,-0.3 2,-0.3 -0.998 18.2-163.2-128.9 130.6 42.1 -3.3 -4.4 64 285 A Y E +BC 50 97A 0 33,-2.7 32,-2.0 -2,-0.4 33,-1.1 -0.849 12.6 164.4-118.5 149.1 42.6 -2.1 -8.0 65 286 A S E - C 0 95A 7 -16,-0.6 2,-0.3 -2,-0.3 30,-0.2 -0.972 13.2-171.1-153.0 164.0 45.3 -0.2 -9.8 66 287 A Q E - C 0 94A 1 28,-1.9 28,-3.4 -2,-0.3 2,-0.5 -0.939 28.1-109.7-147.3 170.5 46.7 0.9 -13.2 67 288 A R E + C 0 93A 52 -2,-0.3 20,-2.7 26,-0.2 2,-0.2 -0.909 34.4 170.5-111.9 130.4 49.8 2.6 -14.5 68 289 A I E - C 0 92A 0 24,-2.7 24,-2.5 -2,-0.5 18,-0.1 -0.778 39.9-115.7-127.3 171.2 49.9 6.1 -16.0 69 290 A D S S- 0 0 77 16,-0.3 22,-0.2 1,-0.3 24,-0.1 0.858 85.9 -21.8 -79.8 -38.4 52.7 8.6 -17.0 70 291 A N > - 0 0 47 22,-0.1 3,-1.2 21,-0.1 -1,-0.3 -0.959 58.7-108.4-168.6 157.7 52.0 11.4 -14.6 71 292 A P G > S+ 0 0 16 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.625 106.3 75.9 -71.0 -14.1 49.1 12.8 -12.4 72 293 A Q G > S+ 0 0 119 1,-0.3 3,-2.1 2,-0.2 0, 0.0 0.833 81.1 70.0 -64.0 -32.0 48.7 15.9 -14.7 73 294 A L G < S+ 0 0 61 -3,-1.2 -1,-0.3 1,-0.3 12,-0.0 0.641 88.3 66.6 -60.4 -13.6 46.9 13.7 -17.2 74 295 A L G X S+ 0 0 1 -3,-1.3 3,-1.5 -4,-0.1 -1,-0.3 0.616 73.2 111.6 -85.1 -15.0 44.0 13.5 -14.7 75 296 A D T < S+ 0 0 50 -3,-2.1 3,-0.1 1,-0.3 104,-0.1 -0.417 91.0 1.1 -59.1 128.5 43.2 17.2 -15.0 76 297 A N T 3 S+ 0 0 155 1,-0.2 2,-0.4 104,-0.2 -1,-0.3 0.709 102.2 128.2 66.5 23.8 39.8 17.7 -16.8 77 298 A K < - 0 0 59 -3,-1.5 2,-0.2 103,-0.1 -1,-0.2 -0.862 51.8-138.5-109.7 145.3 39.1 14.0 -17.1 78 299 A T >> - 0 0 38 -2,-0.4 3,-1.8 -3,-0.1 4,-0.9 -0.651 31.3-108.8 -92.2 161.3 36.0 12.0 -16.1 79 300 A C T 34 S+ 0 0 43 103,-2.8 104,-0.1 1,-0.3 3,-0.1 0.737 117.9 61.2 -64.1 -25.8 36.3 8.6 -14.4 80 301 A T T 34 S+ 0 0 119 102,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.633 104.6 51.9 -76.8 -11.6 35.0 6.8 -17.5 81 302 A Q T X4 S+ 0 0 76 -3,-1.8 3,-2.2 1,-0.1 4,-0.3 0.738 87.5 81.8 -87.1 -28.5 38.0 8.3 -19.4 82 303 A V G >< S+ 0 0 8 -4,-0.9 3,-2.8 1,-0.3 4,-0.4 0.836 78.9 65.2 -55.2 -39.1 40.7 7.1 -16.9 83 304 A P G > S+ 0 0 26 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 0.800 95.9 61.9 -50.8 -27.5 41.0 3.6 -18.3 84 305 A L G < S+ 0 0 148 -3,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.634 91.9 65.9 -73.3 -14.0 42.3 5.2 -21.5 85 306 A L G < S+ 0 0 25 -3,-2.8 -16,-0.3 -4,-0.3 -1,-0.2 0.615 73.7 119.4 -85.2 -12.4 45.3 6.6 -19.7 86 307 A H < + 0 0 34 -3,-1.0 2,-0.3 -4,-0.4 -18,-0.2 -0.319 35.5 175.3 -61.8 128.6 46.8 3.2 -18.9 87 308 A T > - 0 0 50 -20,-2.7 3,-1.3 -2,-0.1 -20,-0.1 -0.989 34.5-131.9-129.5 142.6 50.3 2.5 -20.3 88 309 A E T 3 S+ 0 0 168 -2,-0.3 -20,-0.1 1,-0.3 -1,-0.1 0.805 108.7 41.0 -59.7 -33.3 52.4 -0.6 -19.5 89 310 A S T 3 S+ 0 0 84 -22,-0.1 -1,-0.3 -3,-0.0 -21,-0.1 0.225 80.8 145.1-103.5 11.8 55.5 1.4 -18.7 90 311 A G < - 0 0 0 -3,-1.3 -21,-0.2 -23,-0.2 -22,-0.1 -0.268 43.4-148.9 -55.1 132.0 53.8 4.2 -16.7 91 312 A V S S+ 0 0 41 -22,-0.2 37,-3.0 36,-0.1 38,-1.2 0.600 78.3 70.5 -78.5 -12.2 56.0 5.5 -13.9 92 313 A V E S-Cd 68 129A 2 -24,-2.5 -24,-2.7 35,-0.2 2,-0.6 -0.919 71.4-146.2-113.1 127.2 53.0 6.4 -11.7 93 314 A V E -Cd 67 130A 3 36,-2.7 38,-2.8 -2,-0.5 2,-0.7 -0.811 12.0-159.2 -90.5 121.3 50.7 3.8 -10.1 94 315 A Q E -Cd 66 131A 1 -28,-3.4 -28,-1.9 -2,-0.6 2,-0.5 -0.896 8.6-147.0-100.1 111.5 47.1 5.0 -10.0 95 316 A L E -Cd 65 132A 8 36,-2.5 38,-0.7 -2,-0.7 -30,-0.3 -0.688 16.3-173.1 -74.5 126.1 45.1 3.2 -7.3 96 317 A L E - 0 0 27 -32,-2.0 2,-0.3 -2,-0.5 -31,-0.2 0.790 53.3 -13.9 -95.8 -35.1 41.6 3.0 -8.8 97 318 A A E -C 64 0A 20 -33,-1.1 -33,-2.7 2,-0.0 2,-0.4 -0.976 42.0-148.4-166.9 153.7 39.5 1.6 -6.0 98 319 A V E -C 63 0A 37 -2,-0.3 2,-0.5 -35,-0.2 -35,-0.2 -0.992 20.7-169.3-128.1 123.5 39.3 -0.2 -2.6 99 320 A N E +C 62 0A 1 -37,-3.5 -37,-2.4 -2,-0.4 2,-0.4 -0.954 11.2 170.6-120.8 119.5 36.4 -2.5 -1.9 100 321 A I E -C 61 0A 15 -2,-0.5 -39,-0.2 -39,-0.2 5,-0.1 -0.996 43.7-107.7-124.4 127.0 35.6 -4.0 1.5 101 322 A L > - 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