==== 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 TRANSFERASE 18-SEP-09 3JWH . COMPND 2 MOLECULE: HEN1; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA VARIABILIS; . AUTHOR R.H.HUANG,CHAN C.M.,C.ZHOU,J.S.BRUNZELLE . 381 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.9 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 . 28 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 1 0 2 1 1 0 0 2 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 0 6 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 . 1 0 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 1 262 A I 0 0 128 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 60.9 9.4 -4.0 -35.0 2 263 A S > - 0 0 72 1,-0.1 4,-1.4 4,-0.0 5,-0.1 -0.147 360.0-103.3 -71.5 173.1 7.5 -7.2 -36.0 3 264 A L H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.943 121.8 46.6 -65.0 -48.4 5.9 -7.7 -39.4 4 265 A N H > S+ 0 0 92 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.891 111.7 51.0 -60.2 -43.0 2.4 -7.2 -38.1 5 266 A Q H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.813 108.4 53.8 -65.4 -29.0 3.5 -4.1 -36.2 6 267 A Q H X S+ 0 0 47 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.892 108.8 48.4 -71.1 -38.4 5.0 -2.9 -39.5 7 268 A R H X S+ 0 0 17 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.966 111.8 48.1 -65.1 -52.2 1.8 -3.4 -41.3 8 269 A M H X S+ 0 0 13 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.912 111.9 49.1 -55.5 -46.3 -0.2 -1.5 -38.7 9 270 A N H X S+ 0 0 90 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.896 110.8 52.1 -60.2 -40.1 2.2 1.4 -38.6 10 271 A G H X S+ 0 0 18 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.878 112.6 44.1 -63.9 -38.4 2.1 1.5 -42.4 11 272 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.935 113.9 48.3 -72.8 -47.4 -1.7 1.6 -42.3 12 273 A V H X S+ 0 0 15 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.899 111.3 52.7 -59.0 -40.7 -2.0 4.2 -39.6 13 274 A A H X S+ 0 0 49 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.905 109.5 47.6 -62.1 -43.7 0.6 6.3 -41.4 14 275 A A H X S+ 0 0 5 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.913 110.5 52.2 -65.8 -40.5 -1.4 6.2 -44.6 15 276 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-0.5 0.935 110.0 49.3 -58.8 -47.5 -4.6 7.2 -42.8 16 277 A K H ><5S+ 0 0 85 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.889 105.8 54.6 -61.9 -42.4 -3.0 10.2 -41.2 17 278 A Q H 3<5S+ 0 0 164 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.782 112.2 45.1 -63.2 -27.3 -1.5 11.5 -44.4 18 279 A S T 3<5S- 0 0 36 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.395 112.1-125.2 -92.9 -0.5 -4.9 11.5 -46.0 19 280 A N T < 5 + 0 0 89 -3,-1.5 2,-1.1 1,-0.2 -3,-0.2 0.921 46.3 171.2 54.5 46.0 -6.3 13.0 -42.8 20 281 A A < + 0 0 1 -5,-2.6 -1,-0.2 1,-0.2 -2,-0.1 -0.759 9.2 162.9 -89.9 96.8 -8.8 10.2 -42.5 21 282 A R + 0 0 75 -2,-1.1 24,-1.4 1,-0.2 23,-1.4 0.824 61.6 59.6 -85.1 -34.0 -10.4 10.6 -39.1 22 283 A R E S-a 45 0A 86 22,-0.2 73,-1.8 21,-0.2 72,-1.5 -0.868 74.9-180.0-100.8 109.7 -13.5 8.4 -39.5 23 284 A V E -ab 46 95A 1 22,-3.0 24,-2.6 -2,-0.7 2,-0.5 -0.907 22.8-165.6-122.6 141.3 -12.4 4.9 -40.3 24 285 A I E -ab 47 96A 4 71,-2.3 73,-2.1 -2,-0.4 2,-0.8 -0.969 12.5-152.9-120.6 122.6 -14.2 1.6 -41.0 25 286 A D E > -ab 48 97A 0 22,-3.5 24,-3.0 -2,-0.5 3,-0.7 -0.816 10.1-154.6 -98.0 105.7 -12.2 -1.6 -40.9 26 287 A L E 3 S+a 49 0A 7 71,-2.0 73,-0.3 -2,-0.8 24,-0.2 -0.691 82.7 12.2 -84.9 117.3 -13.7 -4.3 -43.1 27 288 A G T 3 S+ 0 0 0 22,-3.0 -1,-0.3 -2,-0.6 23,-0.2 0.891 80.6 174.7 82.2 48.8 -12.9 -7.8 -42.0 28 289 A C X - 0 0 0 21,-2.3 3,-2.0 -3,-0.7 4,-0.4 0.633 9.0-176.2 -65.3 -17.3 -11.6 -6.4 -38.7 29 290 A G T 3 - 0 0 3 20,-0.3 30,-0.2 1,-0.3 -1,-0.2 -0.230 67.2 -7.8 55.9-138.4 -10.9 -9.8 -37.2 30 291 A Q T 3 S- 0 0 92 28,-0.1 -1,-0.3 1,-0.1 32,-0.2 0.449 101.9-105.5 -71.7 -1.5 -9.7 -9.7 -33.6 31 292 A G <> + 0 0 0 -3,-2.0 4,-2.7 3,-0.1 5,-0.2 0.764 67.5 148.1 86.2 26.5 -9.4 -5.9 -33.7 32 293 A N H > S+ 0 0 53 -4,-0.4 4,-1.4 1,-0.2 -3,-0.1 0.968 84.3 34.8 -58.3 -53.0 -5.6 -5.5 -33.9 33 294 A L H > S+ 0 0 0 -5,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.877 114.9 58.7 -68.8 -36.0 -5.9 -2.4 -36.0 34 295 A L H > S+ 0 0 1 -6,-0.3 4,-2.3 1,-0.2 5,-0.2 0.880 102.9 53.9 -60.7 -36.9 -9.1 -1.3 -34.1 35 296 A K H X S+ 0 0 42 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.933 109.7 47.1 -62.4 -45.3 -7.1 -1.3 -30.8 36 297 A I H X S+ 0 0 38 -4,-1.4 4,-0.9 -5,-0.2 -2,-0.2 0.864 113.9 46.7 -65.3 -38.5 -4.5 1.0 -32.2 37 298 A L H < S+ 0 0 1 -4,-2.2 6,-0.4 2,-0.2 3,-0.2 0.904 110.4 51.4 -71.5 -41.7 -7.0 3.5 -33.7 38 299 A L H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.874 109.4 50.9 -63.0 -38.7 -9.2 3.6 -30.6 39 300 A K H < S+ 0 0 104 -4,-1.7 2,-0.8 -5,-0.2 -1,-0.2 0.788 98.8 77.0 -69.1 -28.4 -6.2 4.4 -28.4 40 301 A D >< - 0 0 44 -4,-0.9 3,-1.7 -3,-0.2 -1,-0.1 -0.767 69.0-156.9 -92.0 107.4 -5.1 7.2 -30.8 41 302 A S T 3 S+ 0 0 91 -2,-0.8 -1,-0.1 1,-0.3 -3,-0.1 0.484 82.2 83.4 -61.0 -3.2 -7.3 10.3 -30.3 42 303 A F T 3 S+ 0 0 49 -5,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.889 79.9 76.2 -65.6 -38.2 -6.4 11.5 -33.8 43 304 A F < - 0 0 0 -3,-1.7 -21,-0.2 -6,-0.4 3,-0.1 -0.588 62.8-167.9 -78.8 130.5 -9.2 9.2 -35.0 44 305 A E S S+ 0 0 88 -23,-1.4 2,-0.3 -2,-0.3 -22,-0.2 0.533 74.2 18.0 -97.1 -10.6 -12.8 10.5 -34.5 45 306 A Q E -a 22 0A 46 -24,-1.4 -22,-3.0 -8,-0.0 2,-0.5 -0.878 59.5-169.8-164.9 128.8 -14.6 7.3 -35.3 46 307 A I E +ac 23 76A 1 29,-2.4 31,-1.2 -2,-0.3 2,-0.4 -0.983 10.0 175.9-123.5 118.5 -13.6 3.7 -35.4 47 308 A T E -ac 24 77A 0 -24,-2.6 -22,-3.5 -2,-0.5 2,-0.4 -0.990 9.4-164.6-126.5 129.7 -15.9 1.0 -36.8 48 309 A G E -ac 25 78A 0 29,-2.5 31,-2.5 -2,-0.4 2,-0.4 -0.935 4.7-167.5-114.1 133.5 -14.9 -2.6 -37.3 49 310 A V E +ac 26 79A 0 -24,-3.0 -22,-3.0 -2,-0.4 -21,-2.3 -0.964 15.6 154.5-122.4 133.7 -16.9 -5.1 -39.4 50 311 A D E - c 0 80A 0 29,-2.0 31,-1.6 -2,-0.4 32,-0.1 -0.987 41.4-140.2-154.4 148.3 -16.6 -8.9 -39.6 51 312 A V S S+ 0 0 63 -2,-0.3 2,-0.5 29,-0.2 31,-0.1 0.729 82.8 88.6 -80.7 -18.6 -18.8 -11.8 -40.5 52 313 A S > - 0 0 31 1,-0.2 4,-1.7 29,-0.1 5,-0.1 -0.681 56.1-167.2 -88.4 123.1 -17.5 -13.9 -37.6 53 314 A Y H > S+ 0 0 161 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.878 91.1 56.5 -69.6 -40.0 -19.2 -13.6 -34.2 54 315 A R H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.945 109.1 45.4 -57.9 -49.0 -16.2 -15.4 -32.5 55 316 A S H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 111.8 51.4 -63.7 -39.3 -13.8 -12.8 -33.8 56 317 A L H X S+ 0 0 11 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.865 108.4 51.5 -68.0 -36.2 -15.9 -9.8 -32.9 57 318 A E H X S+ 0 0 128 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.927 111.8 47.3 -65.9 -42.4 -16.4 -11.1 -29.3 58 319 A I H X S+ 0 0 34 -4,-2.0 4,-2.3 -5,-0.2 5,-0.3 0.935 109.5 53.8 -63.3 -44.1 -12.6 -11.4 -29.0 59 320 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.934 109.4 47.5 -54.2 -49.5 -12.1 -7.9 -30.5 60 321 A Q H X S+ 0 0 67 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.879 109.7 57.7 -59.3 -37.5 -14.5 -6.4 -27.9 61 322 A E H < S+ 0 0 108 -4,-2.0 3,-0.4 2,-0.2 -2,-0.2 0.957 112.6 34.3 -60.7 -56.5 -12.6 -8.4 -25.3 62 323 A R H >< S+ 0 0 38 -4,-2.3 3,-2.0 1,-0.2 4,-0.2 0.849 111.7 62.0 -72.0 -29.8 -9.1 -7.0 -25.9 63 324 A L H >< S+ 0 0 0 -4,-2.5 3,-1.0 -5,-0.3 -1,-0.2 0.812 99.9 58.4 -63.2 -25.1 -10.4 -3.6 -26.8 64 325 A D T 3< S+ 0 0 87 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.547 85.9 74.9 -81.0 -7.3 -11.7 -3.6 -23.2 65 326 A R T < S+ 0 0 153 -3,-2.0 -1,-0.2 -4,-0.2 2,-0.2 0.526 82.3 97.4 -79.5 -3.6 -8.2 -4.1 -21.9 66 327 A L < - 0 0 19 -3,-1.0 2,-0.5 -4,-0.2 -3,-0.0 -0.517 67.5-145.5 -85.7 152.4 -7.8 -0.4 -22.8 67 328 A R + 0 0 215 -2,-0.2 -2,-0.1 -28,-0.0 -3,-0.0 -0.983 35.7 157.1-117.2 121.6 -8.1 2.5 -20.3 68 329 A L - 0 0 37 -2,-0.5 5,-0.1 2,-0.0 -29,-0.1 -0.965 46.1 -89.6-146.1 161.6 -9.6 5.6 -21.9 69 330 A P >> - 0 0 75 0, 0.0 4,-0.8 0, 0.0 3,-0.8 -0.348 47.3-110.4 -66.0 155.6 -11.5 8.8 -21.3 70 331 A R H >> S+ 0 0 237 1,-0.2 3,-1.7 2,-0.2 4,-0.9 0.938 116.5 52.0 -53.0 -56.9 -15.3 8.4 -21.5 71 332 A N H 34 S+ 0 0 113 1,-0.3 -1,-0.2 2,-0.2 3,-0.2 0.767 102.9 64.6 -53.7 -24.3 -15.8 10.4 -24.7 72 333 A Q H X4 S+ 0 0 22 -3,-0.8 3,-0.9 1,-0.2 4,-0.3 0.785 93.9 56.8 -72.5 -28.7 -13.2 8.2 -26.3 73 334 A W H X< S+ 0 0 72 -3,-1.7 3,-1.6 -4,-0.8 -1,-0.2 0.840 93.4 67.8 -73.2 -31.2 -15.2 5.0 -26.0 74 335 A E T 3< S+ 0 0 173 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.547 86.9 71.4 -65.2 -6.8 -18.1 6.4 -27.9 75 336 A R T < S+ 0 0 25 -3,-0.9 -29,-2.4 -4,-0.2 -1,-0.3 0.746 84.6 86.0 -79.8 -24.8 -15.9 6.4 -31.1 76 337 A L E < +c 46 0A 27 -3,-1.6 2,-0.3 -4,-0.3 -29,-0.2 -0.502 48.8 171.0 -83.7 146.4 -16.0 2.6 -31.3 77 338 A Q E -c 47 0A 77 -31,-1.2 -29,-2.5 -2,-0.2 2,-0.4 -0.956 14.8-158.9-155.3 130.7 -18.6 0.4 -33.0 78 339 A L E -c 48 0A 46 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.956 13.6-175.5-115.2 129.2 -18.6 -3.3 -33.8 79 340 A I E -c 49 0A 5 -31,-2.5 -29,-2.0 -2,-0.4 2,-0.4 -0.984 19.1-145.2-131.3 130.6 -20.8 -4.8 -36.5 80 341 A Q E +c 50 0A 61 -2,-0.4 -29,-0.2 -31,-0.2 2,-0.2 -0.772 49.0 115.9 -90.0 134.5 -21.4 -8.3 -37.6 81 342 A G - 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0 0 9 -4,-2.2 -6,-0.1 -43,-0.1 4,-0.1 -0.159 37.8 -45.6 89.3 172.7 14.4 16.2 -70.5 370 451 B S - 0 0 15 2,-0.1 -43,-0.3 1,-0.1 -8,-0.2 -0.416 48.8-120.0 -77.3 154.5 14.2 15.5 -74.2 371 452 B P S S+ 0 0 7 0, 0.0 -47,-2.8 0, 0.0 2,-0.4 0.813 99.6 47.1 -63.2 -31.9 13.1 18.3 -76.7 372 453 B T E S-LN 323 361C 4 -11,-2.4 -11,-1.6 -49,-0.2 2,-0.5 -0.955 73.0-151.9-117.7 129.4 10.2 16.2 -77.9 373 454 B Q E -L 322 0C 14 -51,-3.0 -51,-2.1 -2,-0.4 2,-0.4 -0.845 13.5-168.2 -99.6 131.1 7.7 14.3 -75.7 374 455 B M E -L 321 0C 2 -2,-0.5 -15,-2.4 -15,-0.5 2,-0.5 -0.969 5.5-167.0-123.3 134.4 6.0 11.2 -77.1 375 456 B A E -LM 320 358C 0 -55,-3.8 -55,-2.9 -2,-0.4 2,-0.7 -0.977 5.0-160.2-120.7 127.2 3.1 9.4 -75.6 376 457 B V E -LM 319 357C 7 -19,-2.2 -19,-1.6 -2,-0.5 2,-0.6 -0.911 8.0-164.3-110.5 107.2 2.1 5.9 -76.8 377 458 B F E -LM 318 356C 0 -59,-3.3 -59,-2.2 -2,-0.7 2,-0.6 -0.808 2.7-168.7 -92.6 123.5 -1.5 5.0 -75.9 378 459 B I E -LM 317 355C 67 -23,-2.5 -23,-1.7 -2,-0.6 -61,-0.2 -0.947 22.4-126.8-115.4 114.4 -2.4 1.4 -76.2 379 460 B H E - M 0 354C 42 -63,-2.8 2,-0.3 -2,-0.6 -25,-0.3 -0.135 31.3-106.5 -53.8 154.1 -6.1 0.5 -76.0 380 461 B R - 0 0 46 -27,-2.0 -1,-0.1 1,-0.1 -27,-0.1 -0.622 30.2-109.2 -86.5 144.3 -6.9 -2.1 -73.4 381 462 B G 0 0 64 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.403 360.0 360.0 -65.5 150.3 -7.9 -5.6 -74.4 382 463 B H 0 0 232 -3,-0.0 -1,-0.1 -2,-0.0 0, 0.0 -0.194 360.0 360.0 -80.3 360.0 -11.6 -6.2 -73.7 383 !* 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 0.0 384 1 A X 0 0 107 0, 0.0 -355,-0.2 0, 0.0 -356,-0.1 0.000 360.0 360.0 360.0 360.0 -7.4 -8.5 -39.4 385 !* 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 0.0 386 1 B X 0 0 118 0, 0.0 -165,-0.1 0, 0.0 -166,-0.1 0.000 360.0 360.0 360.0 360.0 3.3 17.8 -89.1