==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-OCT-98 1XBD . 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) . 4846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 54.0 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 . 32 36.8 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 . 12 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), 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+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 . 0 1 3 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 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 0 196 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.7 -7.1 14.6 -16.1 2 248 A G - 0 0 71 85,-0.1 2,-0.2 2,-0.0 83,-0.1 0.221 360.0-118.7 83.5 148.1 -6.8 11.2 -14.4 3 249 A a - 0 0 24 81,-0.2 2,-0.3 84,-0.1 81,-0.2 -0.713 22.1-159.9-117.7 171.3 -4.9 10.5 -11.1 4 250 A S - 0 0 86 20,-0.4 20,-0.7 -2,-0.2 2,-0.4 -0.891 10.2-133.9-143.5 173.7 -2.0 8.3 -10.3 5 251 A V E -A 23 0A 30 -2,-0.3 2,-0.4 77,-0.3 18,-0.2 -0.995 11.0-160.7-136.6 134.4 -0.3 6.6 -7.3 6 252 A T E -A 22 0A 90 16,-1.9 16,-0.6 -2,-0.4 2,-0.5 -0.937 2.9-169.2-116.6 134.5 3.4 6.4 -6.4 7 253 A A E -A 21 0A 36 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.904 6.1-176.4-124.9 106.9 4.9 3.9 -4.0 8 254 A T E -A 20 0A 98 12,-1.4 12,-0.9 -2,-0.5 2,-0.7 -0.848 32.6-116.3-103.6 135.3 8.5 4.4 -2.8 9 255 A R E +A 19 0A 110 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.533 38.1 174.3 -69.8 111.5 10.2 1.9 -0.6 10 256 A A E + 0 0 57 -2,-0.7 2,-0.4 8,-0.5 -1,-0.2 0.949 64.6 12.7 -82.8 -74.4 10.8 3.7 2.7 11 257 A E E - 0 0 106 8,-0.0 7,-2.2 2,-0.0 2,-0.4 -0.860 68.6-165.9-106.6 138.1 12.2 1.1 5.1 12 258 A E E +A 17 0A 106 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.974 9.8 175.6-125.2 128.7 13.4 -2.3 4.0 13 259 A W - 0 0 103 3,-1.5 60,-0.0 -2,-0.4 -2,-0.0 -0.629 44.4-106.8-120.0-178.7 14.0 -5.3 6.3 14 260 A S S S+ 0 0 126 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.333 118.7 30.0 -92.0 9.7 15.0 -8.9 5.9 15 261 A D S S+ 0 0 90 1,-0.5 58,-1.7 58,-0.1 59,-0.6 0.568 128.9 10.4-133.2 -39.3 11.4 -10.0 6.8 16 262 A R E - B 0 72A 77 56,-0.3 -3,-1.5 57,-0.1 -1,-0.5 -0.985 58.7-150.5-143.9 154.8 9.0 -7.2 5.8 17 263 A F E -AB 12 71A 0 54,-1.7 54,-1.4 -2,-0.3 -5,-0.2 -0.987 12.1-142.2-130.3 133.7 9.2 -4.0 3.7 18 264 A N E - B 0 70A 20 -7,-2.2 -8,-0.5 -2,-0.4 2,-0.3 -0.520 16.4-158.8 -89.1 160.8 7.2 -0.8 4.2 19 265 A V E -AB 9 69A 0 50,-2.0 50,-1.4 -10,-0.2 2,-0.5 -0.945 14.3-140.4-136.9 159.2 5.9 1.2 1.2 20 266 A T E -AB 8 68A 49 -12,-0.9 -12,-1.4 -2,-0.3 48,-0.2 -0.799 23.8-178.1-123.7 92.5 4.7 4.8 0.7 21 267 A Y E +AB 7 67A 2 46,-1.1 46,-1.8 -2,-0.5 2,-0.3 -0.596 7.9 167.9 -87.6 150.7 1.7 5.1 -1.6 22 268 A S E -AB 6 66A 31 -16,-0.6 -16,-1.9 -2,-0.2 2,-0.4 -0.985 19.9-154.6-160.1 148.7 0.3 8.5 -2.5 23 269 A V E -A 5 0A 6 42,-2.1 2,-0.3 -2,-0.3 -18,-0.2 -0.974 8.4-155.8-129.5 143.0 -2.2 10.0 -5.0 24 270 A S + 0 0 91 -20,-0.7 2,-0.5 -2,-0.4 -20,-0.4 -0.824 67.0 43.3-115.6 156.8 -2.4 13.6 -6.3 25 271 A G S S+ 0 0 76 -2,-0.3 2,-0.3 -22,-0.1 -1,-0.1 -0.475 115.7 10.2 110.9 -62.8 -5.4 15.5 -7.7 26 272 A S - 0 0 42 -2,-0.5 3,-0.1 1,-0.1 -3,-0.1 -0.904 55.9-139.1-142.2 171.4 -8.2 14.5 -5.2 27 273 A S S S+ 0 0 47 -2,-0.3 2,-2.2 1,-0.1 37,-0.1 0.704 86.8 80.8-106.1 -26.9 -8.5 12.8 -1.9 28 274 A A S S+ 0 0 75 31,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.497 70.1 130.4 -79.6 78.0 -11.6 10.7 -2.5 29 275 A W - 0 0 2 -2,-2.2 2,-0.7 -3,-0.1 57,-0.2 -0.874 58.5-127.3-128.4 163.2 -9.8 7.9 -4.4 30 276 A T - 0 0 50 55,-1.2 2,-1.2 -2,-0.3 29,-0.2 -0.858 18.9-158.9-113.4 99.8 -9.7 4.1 -4.2 31 277 A V E -D 58 0B 0 27,-0.8 27,-0.6 -2,-0.7 2,-0.4 -0.616 12.1-167.0 -79.8 99.1 -6.1 2.8 -3.8 32 278 A N E -DE 57 83B 57 51,-1.7 51,-0.7 -2,-1.2 2,-0.5 -0.704 2.1-160.2 -87.1 133.2 -6.4 -0.8 -5.0 33 279 A L E -DE 56 82B 2 23,-1.2 23,-1.7 -2,-0.4 2,-0.9 -0.941 11.8-156.2-117.0 132.6 -3.2 -2.9 -4.2 34 280 A A - 0 0 40 47,-0.8 21,-0.1 -2,-0.5 47,-0.1 -0.638 16.9-162.5-104.7 77.3 -2.4 -6.1 -6.0 35 281 A L - 0 0 11 -2,-0.9 2,-0.2 45,-0.2 44,-0.1 -0.351 16.4-131.9 -59.4 132.0 -0.2 -7.9 -3.4 36 282 A N > - 0 0 66 42,-0.4 3,-0.8 2,-0.1 -1,-0.1 -0.609 67.7 -8.9 -86.8 147.4 1.8 -10.7 -5.2 37 283 A G T 3 S- 0 0 61 -2,-0.2 2,-0.2 1,-0.2 38,-0.1 -0.345 124.9 -36.4 66.1-148.4 1.9 -14.2 -3.7 38 284 A S T 3 S+ 0 0 106 36,-0.3 -1,-0.2 35,-0.1 -2,-0.1 -0.275 84.9 158.9-103.7 49.0 0.4 -14.4 -0.1 39 285 A Q < - 0 0 6 -3,-0.8 2,-0.3 -2,-0.2 34,-0.1 -0.373 19.6-165.5 -69.6 150.5 1.6 -11.0 1.1 40 286 A T - 0 0 61 32,-0.3 32,-1.0 -2,-0.0 2,-0.4 -0.992 17.3-126.5-139.0 147.0 -0.2 -9.5 4.0 41 287 A I E +C 71 0A 35 -2,-0.3 30,-0.2 30,-0.2 3,-0.1 -0.760 21.5 177.2 -94.4 136.2 -0.3 -6.0 5.5 42 288 A Q E + 0 0 131 28,-1.9 2,-0.3 -2,-0.4 -1,-0.1 0.238 68.9 25.0-119.2 11.9 0.4 -5.6 9.3 43 289 A A E + 0 0 35 27,-0.3 27,-1.6 2,-0.0 2,-0.3 -0.971 55.6 177.7-168.2 153.5 0.2 -1.8 9.5 44 290 A S E -C 69 0A 50 -2,-0.3 2,-0.4 25,-0.2 25,-0.2 -0.868 3.9-173.4-165.4 128.0 -1.4 1.2 7.7 45 291 A W E S+C 68 0A 116 23,-1.4 23,-1.2 -2,-0.3 3,-0.0 -0.969 74.1 12.7-127.6 142.5 -1.5 4.9 8.4 46 292 A N S S+ 0 0 52 -2,-0.4 18,-0.3 21,-0.2 2,-0.2 0.732 129.8 38.9 69.8 17.7 -3.5 7.7 6.7 47 293 A A S S- 0 0 2 13,-0.1 2,-0.4 -3,-0.1 21,-0.1 -0.867 78.2-121.7 174.3 151.5 -5.6 4.9 5.1 48 294 A N E -F 59 0B 76 11,-2.3 11,-1.9 -2,-0.2 2,-0.5 -0.863 18.1-153.6-110.1 143.7 -7.1 1.5 5.8 49 295 A V E +F 58 0B 23 -2,-0.4 2,-0.2 9,-0.2 9,-0.2 -0.951 33.2 132.3-118.7 123.9 -6.3 -1.7 3.9 50 296 A T E +F 57 0B 90 7,-1.3 7,-1.4 -2,-0.5 2,-0.0 -0.818 5.8 115.4-149.9-170.1 -8.9 -4.6 3.8 51 297 A G - 0 0 43 -2,-0.2 2,-0.2 5,-0.2 6,-0.1 0.055 48.9-116.8 110.6 137.4 -10.6 -6.9 1.3 52 298 A S + 0 0 116 4,-0.1 3,-0.3 -2,-0.0 2,-0.2 -0.621 69.6 51.0-103.2 166.1 -10.4 -10.7 1.0 53 299 A G S S- 0 0 64 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 -0.655 106.6 -55.7 106.4-166.1 -9.1 -12.8 -1.9 54 300 A S S S+ 0 0 106 -2,-0.2 -1,-0.2 2,-0.0 -15,-0.1 0.672 117.7 72.4 -88.1 -16.3 -5.7 -12.5 -3.7 55 301 A T S S- 0 0 89 -3,-0.3 2,-0.3 -21,-0.1 -21,-0.2 -0.423 70.5-149.0 -91.4 172.0 -6.2 -8.8 -4.5 56 302 A R E -D 33 0B 54 -23,-1.7 -23,-1.2 -2,-0.1 2,-0.3 -0.942 7.8-163.8-138.4 160.8 -6.1 -5.9 -2.0 57 303 A T E -DF 32 50B 43 -7,-1.4 -7,-1.3 -2,-0.3 2,-0.3 -0.962 2.8-158.0-142.9 161.2 -7.9 -2.6 -1.6 58 304 A V E -DF 31 49B 0 -27,-0.6 -27,-0.8 -2,-0.3 -9,-0.2 -0.998 5.9-169.5-142.0 144.9 -7.4 0.7 0.3 59 305 A T E - F 0 48B 60 -11,-1.9 -11,-2.3 -2,-0.3 -29,-0.1 -0.987 23.9-116.3-137.4 147.8 -9.8 3.5 1.3 60 306 A P - 0 0 43 0, 0.0 -13,-0.1 0, 0.0 5,-0.1 -0.422 13.5-163.7 -77.7 152.3 -9.3 7.0 2.8 61 307 A N - 0 0 95 -15,-0.2 -14,-0.1 -2,-0.1 -15,-0.0 0.515 63.3 -75.1-113.8 -10.5 -10.7 7.8 6.3 62 308 A G S S+ 0 0 66 2,-0.2 3,-0.1 -16,-0.2 -15,-0.1 0.725 102.5 96.9 116.5 57.2 -10.5 11.6 6.1 63 309 A S S S- 0 0 81 1,-0.4 2,-0.2 -17,-0.2 -16,-0.1 0.520 84.7 -66.6-135.2 -59.9 -6.8 12.7 6.5 64 310 A G - 0 0 22 -18,-0.3 -1,-0.4 -37,-0.1 -2,-0.2 -0.788 49.0 -83.0-169.4-146.0 -5.0 13.3 3.2 65 311 A N S S+ 0 0 48 -2,-0.2 -42,-2.1 1,-0.1 2,-0.5 0.201 95.9 84.8-129.3 14.0 -3.8 11.4 0.1 66 312 A T E +B 22 0A 84 -44,-0.2 2,-0.3 2,-0.0 -44,-0.2 -0.928 50.6 149.1-122.2 112.0 -0.4 10.1 1.4 67 313 A F E -B 21 0A 1 -46,-1.8 -46,-1.1 -2,-0.5 2,-0.3 -0.899 29.0-143.3-135.4 165.8 -0.5 6.8 3.4 68 314 A G E -BC 20 45A 1 -23,-1.2 -23,-1.4 -2,-0.3 2,-0.3 -0.887 8.2-155.4-128.4 161.3 1.9 3.9 3.9 69 315 A V E -BC 19 44A 0 -50,-1.4 -50,-2.0 -2,-0.3 2,-0.7 -0.937 15.9-131.8-134.4 158.2 1.5 0.1 4.3 70 316 A T E -B 18 0A 2 -27,-1.6 -28,-1.9 -2,-0.3 -27,-0.3 -0.817 26.9-173.1-113.2 95.2 3.5 -2.7 5.9 71 317 A V E -BC 17 41A 0 -54,-1.4 -54,-1.7 -2,-0.7 2,-0.5 -0.595 17.3-135.5 -85.8 147.9 3.8 -5.6 3.5 72 318 A M E -B 16 0A 35 -32,-1.0 -32,-0.3 -56,-0.2 -56,-0.3 -0.884 6.9-138.4-106.1 128.1 5.4 -8.9 4.7 73 319 A K + 0 0 48 -58,-1.7 -1,-0.2 -2,-0.5 -57,-0.1 0.958 33.7 166.4 -45.2 -68.2 8.0 -10.6 2.5 74 320 A N S S- 0 0 106 -59,-0.6 -36,-0.3 1,-0.3 -1,-0.1 0.896 91.5 -35.8 53.1 37.7 6.6 -14.1 3.2 75 321 A G S S+ 0 0 82 1,-0.3 2,-0.3 -60,-0.1 -1,-0.3 0.766 134.0 77.7 87.3 25.5 8.7 -15.4 0.3 76 322 A S + 0 0 30 1,-0.1 -1,-0.3 -38,-0.1 3,-0.1 -0.888 39.7 171.5-150.7-178.6 8.2 -12.2 -1.8 77 323 A S + 0 0 53 -2,-0.3 -1,-0.1 1,-0.2 -6,-0.1 0.254 42.1 115.4-164.2 -46.0 9.4 -8.5 -2.1 78 324 A T S S- 0 0 96 1,-0.1 -42,-0.4 -43,-0.0 -1,-0.2 -0.121 70.6-119.0 -41.5 120.9 8.0 -6.8 -5.2 79 325 A T - 0 0 39 1,-0.1 -2,-0.1 -44,-0.1 -1,-0.1 -0.143 31.6 -97.3 -61.1 165.5 5.8 -4.1 -3.8 80 326 A P - 0 0 9 0, 0.0 2,-0.6 0, 0.0 -45,-0.2 -0.210 34.9-107.4 -77.7 170.9 2.1 -4.1 -4.7 81 327 A A - 0 0 59 -47,-0.1 -47,-0.8 2,-0.0 2,-0.3 -0.892 31.0-156.4-106.3 119.5 0.5 -2.1 -7.6 82 328 A A E -E 33 0B 20 -2,-0.6 2,-0.4 -49,-0.2 -77,-0.3 -0.685 9.4-172.8 -93.9 148.0 -1.6 0.9 -6.4 83 329 A T E -E 32 0B 73 -51,-0.7 -51,-1.7 -2,-0.3 2,-0.5 -0.976 18.2-138.0-142.1 126.7 -4.4 2.3 -8.7 84 330 A a + 0 0 25 -2,-0.4 2,-0.4 -81,-0.2 -81,-0.2 -0.695 31.3 167.4 -85.4 128.7 -6.4 5.5 -8.1 85 331 A A + 0 0 51 -2,-0.5 -55,-1.2 -55,-0.2 -2,-0.1 -0.986 44.0 57.5-143.7 132.0 -10.1 5.1 -8.9 86 332 A G 0 0 60 -2,-0.4 -1,-0.1 1,-0.2 -58,-0.0 0.683 360.0 360.0 119.5 39.9 -13.1 7.4 -8.1 87 333 A S 0 0 125 -3,-0.1 -1,-0.2 -57,-0.1 -85,-0.1 -0.927 360.0 360.0-130.9 360.0 -12.2 10.8 -9.6