==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-OCT-98 2XBD . COMPND 2 MOLECULE: XYLANASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR P.J.SIMPSON,D.N.BOLAM,A.COOPER,A.CIRUELA,G.P.HAZLEWOOD, . 87 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 56.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 35.6 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 . 1 1.1 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 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.3 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+4), 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 247 A T 0 0 205 0, 0.0 2,-0.4 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 21.9 -1.5 -10.9 -19.6 2 248 A G - 0 0 71 83,-0.0 2,-0.2 85,-0.0 83,-0.1 -0.988 360.0-151.3-136.1 145.5 -0.6 -8.0 -17.3 3 249 A a - 0 0 47 -2,-0.4 2,-0.3 81,-0.2 81,-0.2 -0.647 11.9-169.2-109.8 170.2 -1.8 -7.0 -13.8 4 250 A S - 0 0 77 20,-0.4 20,-0.5 -2,-0.2 2,-0.4 -0.915 18.8-125.1-149.3 175.0 -2.1 -3.5 -12.2 5 251 A V - 0 0 25 -2,-0.3 2,-0.7 77,-0.3 18,-0.2 -0.951 13.9-160.1-132.8 117.0 -2.7 -1.9 -8.8 6 252 A T E -A 22 0A 85 16,-1.8 16,-0.7 -2,-0.4 2,-0.5 -0.830 11.8-171.4 -98.1 115.1 -5.4 0.7 -8.3 7 253 A A E +A 21 0A 43 -2,-0.7 2,-0.3 14,-0.2 14,-0.2 -0.897 6.7 177.5-108.1 128.9 -4.8 2.8 -5.1 8 254 A T E -A 20 0A 92 12,-1.1 12,-1.8 -2,-0.5 2,-0.6 -0.873 29.9-117.1-125.8 160.6 -7.5 5.2 -3.9 9 255 A R E +A 19 0A 110 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.851 33.0 169.7-100.5 120.9 -7.8 7.6 -0.9 10 256 A A E + 0 0 71 -2,-0.6 2,-0.3 8,-0.5 -1,-0.2 0.872 65.2 9.3 -92.0 -80.6 -10.6 6.7 1.5 11 257 A E E - 0 0 112 8,-0.0 7,-1.9 0, 0.0 2,-0.5 -0.798 66.4-159.2-103.3 145.1 -10.2 8.8 4.7 12 258 A E E -A 17 0A 142 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.975 11.1-179.6-126.0 127.1 -7.7 11.6 5.1 13 259 A W - 0 0 96 3,-2.1 0, 0.0 -2,-0.5 0, 0.0 -0.421 40.4-108.3-110.4-170.8 -6.5 13.0 8.5 14 260 A S S S+ 0 0 121 -2,-0.1 3,-0.1 1,-0.1 -1,-0.0 0.395 117.4 36.9-100.7 3.2 -4.1 15.7 9.5 15 261 A D S S- 0 0 79 1,-0.4 58,-0.9 58,-0.1 2,-0.3 0.275 129.7 -7.1-133.9 7.3 -1.4 13.3 10.6 16 262 A R E - B 0 72A 98 56,-0.3 -3,-2.1 57,-0.1 -1,-0.4 -0.959 58.9-130.0 174.8 170.1 -1.7 10.5 8.0 17 263 A F E -AB 12 71A 0 54,-2.0 54,-1.7 -2,-0.3 -5,-0.2 -0.990 18.2-130.3-144.4 134.0 -3.9 9.2 5.2 18 264 A N E - B 0 70A 28 -7,-1.9 -8,-0.5 -2,-0.4 2,-0.3 -0.467 24.3-159.5 -80.0 154.9 -5.4 5.7 4.5 19 265 A V E -AB 9 69A 0 50,-1.9 50,-1.3 -10,-0.2 2,-0.5 -0.949 13.5-147.9-133.9 155.4 -4.9 4.1 1.1 20 266 A T E -AB 8 68A 47 -12,-1.8 -12,-1.1 -2,-0.3 2,-0.4 -0.803 19.0-177.9-126.2 93.1 -6.7 1.3 -0.7 21 267 A Y E +AB 7 67A 1 46,-1.2 46,-2.1 -2,-0.5 2,-0.3 -0.731 12.1 162.3 -91.4 136.2 -4.4 -0.8 -3.0 22 268 A S E -AB 6 66A 25 -16,-0.7 -16,-1.8 -2,-0.4 2,-0.3 -0.970 19.8-159.3-147.3 162.4 -6.0 -3.6 -5.0 23 269 A V - 0 0 7 42,-1.7 2,-0.2 -2,-0.3 -18,-0.2 -1.000 4.3-164.2-145.9 145.7 -5.2 -5.7 -8.1 24 270 A S + 0 0 77 -20,-0.5 2,-0.5 -2,-0.3 -20,-0.4 -0.547 62.7 62.6-118.1-173.5 -7.2 -7.7 -10.6 25 271 A G S S- 0 0 75 -2,-0.2 2,-0.3 -22,-0.1 -1,-0.1 -0.102 117.3 -11.4 87.5 -40.8 -6.5 -10.5 -13.2 26 272 A S - 0 0 81 -2,-0.5 3,-0.1 1,-0.1 -3,-0.0 -0.982 56.9-122.2-175.3 170.8 -5.3 -12.8 -10.4 27 273 A S S S+ 0 0 63 -2,-0.3 2,-2.2 1,-0.1 35,-0.1 0.677 91.3 85.1-101.9 -21.6 -4.4 -13.0 -6.7 28 274 A A + 0 0 83 31,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.477 68.1 124.7 -79.8 75.9 -0.8 -14.3 -7.1 29 275 A W - 0 0 8 -2,-2.2 2,-0.6 -3,-0.1 57,-0.2 -0.814 60.0-126.1-128.5 170.9 0.7 -10.9 -7.6 30 276 A T - 0 0 52 -2,-0.3 55,-1.2 29,-0.1 2,-0.4 -0.864 21.5-160.3-122.6 100.0 3.6 -8.9 -6.0 31 277 A V E -DE 58 84B 0 27,-1.0 27,-1.6 -2,-0.6 2,-0.5 -0.619 6.9-168.1 -79.9 132.2 2.5 -5.4 -4.8 32 278 A N E -D 57 0B 60 51,-0.8 51,-0.5 -2,-0.4 2,-0.3 -0.946 4.4-158.0-124.3 114.9 5.5 -3.0 -4.3 33 279 A L E -D 56 0B 2 23,-1.9 23,-1.9 -2,-0.5 2,-0.2 -0.667 5.6-169.3 -90.5 145.5 4.9 0.3 -2.5 34 280 A A - 0 0 36 47,-0.5 47,-0.4 -2,-0.3 21,-0.1 -0.611 9.2-171.6-133.9 76.5 7.3 3.2 -3.0 35 281 A L - 0 0 27 -2,-0.2 2,-0.4 45,-0.2 44,-0.1 -0.083 19.5-126.2 -59.9 168.8 6.6 6.0 -0.5 36 282 A N > - 0 0 80 42,-0.3 3,-1.1 0, 0.0 2,-0.7 -0.938 69.1 -4.9-122.3 144.4 8.5 9.3 -1.0 37 283 A G T 3 S- 0 0 73 -2,-0.4 38,-0.1 1,-0.2 37,-0.1 -0.662 125.3 -39.0 80.5-114.9 10.6 11.2 1.6 38 284 A S T 3 S+ 0 0 91 -2,-0.7 -1,-0.2 35,-0.2 37,-0.0 0.147 85.2 150.0-133.8 18.5 10.4 9.3 4.9 39 285 A Q < - 0 0 10 -3,-1.1 2,-0.3 32,-0.1 34,-0.1 -0.106 25.9-166.3 -50.2 153.2 6.7 8.3 5.0 40 286 A T - 0 0 54 32,-0.3 32,-1.8 -5,-0.0 2,-0.4 -0.930 16.3-122.7-140.8 165.7 6.1 5.0 6.9 41 287 A I E +C 71 0A 23 -2,-0.3 30,-0.2 30,-0.2 3,-0.1 -0.878 24.6 169.5-112.8 144.5 3.3 2.5 7.3 42 288 A Q E + 0 0 155 28,-1.9 2,-0.3 -2,-0.4 29,-0.1 0.277 66.9 43.3-133.2 7.2 1.7 1.5 10.6 43 289 A A E +C 70 0A 29 27,-0.6 27,-1.4 2,-0.0 2,-0.2 -0.997 51.9 168.1-151.6 152.7 -1.3 -0.6 9.4 44 290 A S E +C 69 0A 57 -2,-0.3 2,-0.4 25,-0.2 25,-0.2 -0.790 4.1 178.0-168.8 121.3 -2.1 -3.2 6.8 45 291 A W E S+C 68 0A 117 23,-1.8 23,-1.5 -2,-0.2 3,-0.1 -0.972 70.3 19.7-129.9 144.6 -5.1 -5.5 6.2 46 292 A N S S+ 0 0 59 -2,-0.4 18,-0.3 21,-0.2 2,-0.3 0.677 126.4 40.7 75.5 13.7 -5.7 -8.1 3.5 47 293 A A S S- 0 0 2 13,-0.1 2,-0.6 -3,-0.1 21,-0.1 -0.882 82.4-114.5 177.8 149.9 -2.0 -8.2 2.8 48 294 A N E -F 59 0B 80 11,-2.0 11,-1.3 -2,-0.3 2,-0.9 -0.855 23.1-162.9-101.3 118.3 1.4 -8.2 4.6 49 295 A V E +F 58 0B 16 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.788 30.1 146.3-101.6 97.3 3.5 -5.1 4.0 50 296 A T E +F 57 0B 94 7,-1.7 7,-1.7 -2,-0.9 2,-0.3 -0.896 13.2 94.1-127.9 159.3 7.1 -5.9 5.0 51 297 A G - 0 0 35 -2,-0.3 2,-0.3 5,-0.2 5,-0.1 -0.929 50.4-113.3 150.1-174.0 10.5 -4.8 3.7 52 298 A S > + 0 0 102 -2,-0.3 3,-0.6 3,-0.1 2,-0.2 -0.974 65.4 37.4-150.6 163.9 13.2 -2.2 4.3 53 299 A G T 3 S- 0 0 67 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.624 114.9 -38.3 92.1-153.0 14.8 0.8 2.6 54 300 A S T 3 S+ 0 0 108 -2,-0.2 2,-0.3 -20,-0.1 -1,-0.2 0.336 126.2 65.5 -92.3 9.4 12.8 3.3 0.5 55 301 A T < - 0 0 86 -3,-0.6 2,-0.4 -21,-0.1 -21,-0.2 -0.878 66.5-152.1-127.2 161.3 10.7 0.4 -0.9 56 302 A R E -D 33 0B 71 -23,-1.9 -23,-1.9 -2,-0.3 2,-0.3 -0.986 11.0-140.3-137.1 128.6 8.2 -2.0 0.7 57 303 A T E -DF 32 50B 67 -7,-1.7 -7,-1.7 -2,-0.4 2,-0.4 -0.632 19.3-168.2 -86.4 143.7 7.4 -5.6 -0.4 58 304 A V E +DF 31 49B 0 -27,-1.6 -27,-1.0 -2,-0.3 -9,-0.2 -0.993 8.2 174.1-134.2 135.6 3.7 -6.7 -0.3 59 305 A T E - F 0 48B 58 -11,-1.3 -11,-2.0 -2,-0.4 2,-0.1 -0.964 32.0-105.8-139.6 157.3 2.3 -10.3 -0.7 60 306 A P - 0 0 45 0, 0.0 -13,-0.1 0, 0.0 5,-0.1 -0.411 16.0-161.5 -78.0 153.5 -1.1 -12.0 -0.4 61 307 A N - 0 0 83 -15,-0.2 -14,-0.1 3,-0.2 -15,-0.0 0.163 61.5 -82.0-122.0 17.3 -1.8 -14.2 2.6 62 308 A G S S+ 0 0 81 2,-0.2 3,-0.1 -16,-0.1 -15,-0.1 0.901 106.5 99.7 85.3 44.1 -4.8 -16.2 1.2 63 309 A S S S- 0 0 81 1,-0.4 2,-0.3 -17,-0.2 -16,-0.1 0.640 86.4 -66.3-126.0 -49.1 -7.5 -13.5 1.9 64 310 A G - 0 0 23 -18,-0.3 -1,-0.4 -37,-0.1 -2,-0.2 -0.968 41.6 -91.2 178.6-165.6 -8.2 -11.6 -1.3 65 311 A N S S+ 0 0 50 -2,-0.3 -42,-1.7 1,-0.1 2,-0.6 0.269 97.7 80.8-115.9 10.0 -6.7 -9.1 -3.8 66 312 A T E +B 22 0A 81 -44,-0.2 2,-0.3 2,-0.0 -44,-0.2 -0.916 54.2 157.8-120.7 109.7 -7.9 -5.9 -2.1 67 313 A F E -B 21 0A 1 -46,-2.1 -46,-1.2 -2,-0.6 2,-0.3 -0.882 24.8-145.7-127.0 160.5 -5.8 -4.7 0.8 68 314 A G E -BC 20 45A 0 -23,-1.5 -23,-1.8 -2,-0.3 2,-0.3 -0.883 8.5-162.4-124.4 157.6 -5.4 -1.3 2.5 69 315 A V E -BC 19 44A 0 -50,-1.3 -50,-1.9 -2,-0.3 2,-0.6 -0.988 15.5-134.7-139.2 148.7 -2.4 0.4 4.2 70 316 A T E -BC 18 43A 11 -27,-1.4 -28,-1.9 -2,-0.3 -27,-0.6 -0.887 24.5-172.5-106.8 115.6 -2.0 3.4 6.6 71 317 A V E -BC 17 41A 0 -54,-1.7 -54,-2.0 -2,-0.6 2,-0.3 -0.761 17.2-131.2-104.9 152.6 0.8 5.8 5.7 72 318 A M E -B 16 0A 49 -32,-1.8 -32,-0.3 -2,-0.3 -56,-0.3 -0.783 10.1-134.4-102.4 146.2 1.9 8.7 7.9 73 319 A K + 0 0 42 -58,-0.9 3,-0.4 -2,-0.3 -35,-0.2 0.995 34.5 163.7 -60.3 -73.9 2.4 12.3 6.5 74 320 A N S S- 0 0 91 1,-0.3 -36,-0.2 -59,-0.1 -1,-0.1 0.802 94.9 -36.9 60.7 24.0 5.7 13.1 8.1 75 321 A G S S+ 0 0 77 1,-0.3 2,-0.3 -38,-0.1 -1,-0.3 0.556 129.6 91.9 103.1 10.6 5.9 16.0 5.6 76 322 A S + 0 0 29 -3,-0.4 -1,-0.3 1,-0.1 -39,-0.0 -0.988 36.8 170.6-137.3 146.6 4.3 14.1 2.7 77 323 A S + 0 0 67 -2,-0.3 2,-0.7 -3,-0.1 -4,-0.1 0.213 50.6 104.8-137.8 12.7 0.6 13.7 1.6 78 324 A T S S- 0 0 95 -5,-0.1 -42,-0.3 -42,-0.1 -61,-0.0 -0.856 73.6-120.1-101.3 116.5 1.0 11.9 -1.8 79 325 A T - 0 0 40 -2,-0.7 -2,-0.1 1,-0.1 -70,-0.0 -0.029 35.8-100.2 -47.0 159.7 0.0 8.2 -1.6 80 326 A P - 0 0 8 0, 0.0 2,-0.6 0, 0.0 -45,-0.2 -0.205 33.6-106.8 -77.6 170.9 2.8 5.7 -2.5 81 327 A A - 0 0 58 -47,-0.4 -47,-0.5 2,-0.0 2,-0.3 -0.890 31.7-161.3-106.1 122.1 3.1 4.0 -5.9 82 328 A A - 0 0 20 -2,-0.6 2,-0.4 -77,-0.2 -77,-0.3 -0.748 4.5-168.2-100.7 149.0 2.2 0.3 -6.0 83 329 A T - 0 0 76 -51,-0.5 -51,-0.8 -2,-0.3 2,-0.5 -0.979 16.3-138.5-139.0 126.8 3.3 -2.0 -8.8 84 330 A a B -E 31 0B 24 -2,-0.4 2,-0.5 -81,-0.2 -81,-0.2 -0.705 22.7-175.6 -85.2 124.2 2.0 -5.6 -9.5 85 331 A A + 0 0 49 -55,-1.2 2,-0.2 -2,-0.5 -55,-0.1 -0.940 21.3 140.5-123.9 114.3 4.8 -8.0 -10.5 86 332 A G 0 0 46 -2,-0.5 -83,-0.1 -57,-0.2 -58,-0.0 -0.647 360.0 360.0-153.6 91.1 4.0 -11.5 -11.5 87 333 A S 0 0 196 -2,-0.2 -58,-0.1 -85,-0.0 -85,-0.0 -0.114 360.0 360.0 -83.3 360.0 5.9 -13.2 -14.3