==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUL-00 1E5C . COMPND 2 MOLECULE: XYLANASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR P.J.SIMPSON,X.HEFANG,D.N.BOLAM,H.J.GILBERT,M.P.WILLIAMSON . 87 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 64.4 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 . 37 42.5 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 . 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-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 . 17 19.5 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 . 1 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 0 192 0, 0.0 85,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 84.1 -17.5 6.2 -10.3 2 248 A G - 0 0 46 83,-0.1 27,-0.1 23,-0.1 83,-0.0 -0.552 360.0-138.4-171.5 99.4 -15.3 3.4 -8.9 3 249 A a - 0 0 19 -2,-0.1 2,-0.5 25,-0.1 81,-0.2 -0.269 13.6-148.6 -59.9 147.6 -11.5 3.7 -8.3 4 250 A S E -A 24 0A 74 20,-0.6 20,-1.1 22,-0.1 2,-0.2 -0.728 18.5-176.9-121.9 84.3 -9.6 0.6 -9.4 5 251 A V E -A 23 0A 28 -2,-0.5 2,-0.3 18,-0.2 18,-0.3 -0.510 4.9-167.1 -80.0 149.2 -6.5 0.2 -7.2 6 252 A T E -A 22 0A 75 16,-1.1 16,-1.0 -2,-0.2 2,-0.3 -0.883 9.8-136.6-131.5 164.1 -4.1 -2.6 -7.9 7 253 A A + 0 0 45 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.810 24.4 162.2-120.0 162.7 -1.2 -4.2 -5.9 8 254 A T - 0 0 76 -2,-0.3 12,-2.1 0, 0.0 2,-0.6 -0.981 37.2-109.5-169.6 161.7 2.3 -5.4 -7.0 9 255 A R E +B 19 0B 112 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.891 37.4 163.1-106.7 119.7 5.7 -6.3 -5.5 10 256 A A E + 0 0 57 8,-1.9 9,-0.2 -2,-0.6 -1,-0.1 0.775 60.7 5.8 -97.7 -89.8 8.5 -3.8 -6.2 11 257 A E E +B 18 0B 122 7,-0.8 7,-0.6 8,-0.0 -1,-0.3 -0.464 67.2 174.7 -91.7 168.6 11.6 -4.1 -3.9 12 258 A E E +B 17 0B 80 5,-0.3 2,-0.2 -2,-0.1 5,-0.2 -0.947 7.9 157.6-170.3 148.8 12.2 -6.9 -1.3 13 259 A W - 0 0 95 3,-1.6 2,-1.1 -2,-0.3 3,-0.0 -0.855 60.9 -65.2-157.3-168.9 14.8 -8.2 1.1 14 260 A S S S+ 0 0 127 -2,-0.2 3,-0.1 1,-0.2 63,-0.0 -0.159 128.5 36.7 -84.7 46.1 15.2 -10.3 4.3 15 261 A D S S- 0 0 95 -2,-1.1 59,-0.9 1,-0.4 58,-0.8 0.346 124.0 -22.3-160.2 -36.3 13.2 -7.8 6.3 16 262 A G E - C 0 72B 0 56,-0.2 -3,-1.6 57,-0.2 -1,-0.4 -0.982 53.6-122.9-172.6 171.6 10.4 -6.2 4.3 17 263 A F E -BC 12 71B 0 54,-1.2 54,-2.4 -2,-0.3 2,-1.1 -0.992 21.7-123.1-134.7 137.2 9.3 -5.6 0.7 18 264 A N E -BC 11 70B 21 -7,-0.6 -8,-1.9 -2,-0.4 -7,-0.8 -0.623 32.7-157.9 -79.1 102.2 8.4 -2.3 -1.0 19 265 A V E -BC 9 69B 0 50,-2.2 50,-0.9 -2,-1.1 2,-0.4 -0.495 4.8-159.1 -78.2 150.1 4.8 -2.8 -2.2 20 266 A T E - C 0 68B 33 -12,-2.1 2,-0.4 48,-0.2 48,-0.2 -0.781 4.9-169.2-133.5 93.4 3.6 -0.6 -5.1 21 267 A Y E - C 0 67B 3 46,-1.1 46,-1.5 -2,-0.4 2,-0.6 -0.643 11.4-152.5 -81.3 132.4 -0.2 -0.3 -5.4 22 268 A S E -A 6 0A 36 -16,-1.0 -16,-1.1 -2,-0.4 2,-0.4 -0.907 5.7-161.1-111.1 119.6 -1.2 1.3 -8.7 23 269 A V E +A 5 0A 3 -2,-0.6 2,-0.3 42,-0.5 -18,-0.2 -0.785 15.7 169.4 -97.9 138.0 -4.6 3.2 -8.8 24 270 A S E +A 4 0A 73 -20,-1.1 -20,-0.6 -2,-0.4 3,-0.1 -0.967 50.6 46.5-149.5 130.4 -6.2 4.0 -12.2 25 271 A G S S+ 0 0 72 -2,-0.3 2,-0.3 -22,-0.1 -23,-0.1 -0.100 109.4 26.2 132.1 -37.3 -9.6 5.3 -13.1 26 272 A S - 0 0 41 1,-0.1 3,-0.2 -25,-0.1 -22,-0.1 -0.987 55.2-146.7-150.9 159.8 -10.0 8.2 -10.7 27 273 A S S S+ 0 0 73 -2,-0.3 2,-2.2 1,-0.2 35,-0.1 0.850 92.2 63.5 -97.2 -44.6 -7.8 10.7 -8.8 28 274 A A S S+ 0 0 76 31,-0.1 59,-0.6 2,-0.0 2,-0.3 -0.493 79.6 132.8 -80.2 77.4 -9.9 11.2 -5.6 29 275 A W E -E 86 0C 1 -2,-2.2 2,-0.4 -3,-0.2 57,-0.1 -0.824 46.1-145.7-123.8 165.4 -9.6 7.6 -4.4 30 276 A T E -E 85 0C 47 55,-0.5 2,-0.8 -2,-0.3 55,-0.6 -0.955 5.9-164.9-136.0 118.2 -8.8 5.9 -1.1 31 277 A V E -EF 84 58C 0 27,-0.6 2,-0.8 -2,-0.4 27,-0.8 -0.839 11.9-151.3-105.2 104.5 -6.9 2.6 -0.8 32 278 A N E -EF 83 57C 62 51,-2.0 51,-1.1 -2,-0.8 25,-0.2 -0.596 16.8-149.6 -74.7 109.4 -7.3 1.1 2.7 33 279 A L E -EF 82 56C 0 23,-2.3 23,-1.8 -2,-0.8 2,-0.4 -0.537 12.3-168.3 -79.9 146.0 -4.0 -0.8 3.2 34 280 A A E -E 81 0C 28 47,-2.0 47,-2.1 21,-0.2 21,-0.2 -0.802 8.3-153.6-137.7 96.1 -4.2 -3.9 5.4 35 281 A L - 0 0 19 -2,-0.4 2,-0.3 45,-0.2 44,-0.1 -0.076 20.8-119.6 -59.9 169.6 -0.9 -5.5 6.4 36 282 A N > - 0 0 39 42,-0.2 3,-2.0 40,-0.1 -1,-0.1 -0.877 66.4 -18.5-115.6 148.5 -0.8 -9.2 7.3 37 283 A G T 3 S- 0 0 69 -2,-0.3 38,-0.1 1,-0.3 37,-0.1 -0.260 128.4 -27.1 57.3-143.6 0.2 -10.9 10.6 38 284 A S T 3 S+ 0 0 81 36,-0.3 -1,-0.3 35,-0.1 36,-0.1 0.382 101.3 138.1 -84.1 7.9 2.2 -8.5 12.8 39 285 A Q < - 0 0 9 -3,-2.0 2,-0.3 34,-0.2 34,-0.1 0.074 32.5-171.8 -44.3 167.5 3.4 -6.7 9.6 40 286 A T - 0 0 56 32,-0.3 32,-2.2 30,-0.1 2,-0.8 -0.949 30.7 -90.4-155.9 174.9 3.5 -2.9 9.9 41 287 A I E +D 71 0B 20 -2,-0.3 30,-0.2 30,-0.2 3,-0.1 -0.824 36.9 171.1 -98.6 109.6 4.1 0.2 7.8 42 288 A Q E - 0 0 119 28,-2.3 2,-0.3 -2,-0.8 -1,-0.2 0.840 67.4 -23.9 -85.6 -34.2 7.8 1.2 7.8 43 289 A A E - 0 0 42 27,-0.4 27,-1.4 2,-0.0 -1,-0.3 -0.985 57.4-169.7-165.4 171.4 7.5 3.9 5.2 44 290 A S E +D 69 0B 42 -2,-0.3 2,-0.3 25,-0.3 25,-0.2 -0.979 3.9 179.2-161.9 170.0 5.3 5.1 2.2 45 291 A W E +D 68 0B 100 23,-0.7 23,-1.6 -2,-0.3 -2,-0.0 -0.986 59.3 49.0-170.0 165.9 5.3 7.6 -0.7 46 292 A N S S+ 0 0 83 -2,-0.3 15,-0.6 21,-0.2 2,-0.3 0.564 115.8 41.9 71.8 3.4 3.3 8.9 -3.6 47 293 A A B S-H 60 0D 4 13,-0.2 2,-1.1 21,-0.1 21,-0.1 -0.909 89.4-107.9-174.4 145.7 0.3 9.1 -1.2 48 294 A N + 0 0 116 11,-1.7 2,-0.4 -2,-0.3 11,-0.2 -0.679 48.8 166.9 -84.7 101.2 -0.5 10.2 2.3 49 295 A V + 0 0 9 -2,-1.1 2,-0.3 9,-0.2 9,-0.2 -0.918 2.4 147.5-117.0 141.8 -1.0 6.9 4.2 50 296 A T E +G 57 0C 95 7,-1.2 7,-1.8 -2,-0.4 2,-0.3 -0.976 1.1 134.4-160.1 170.8 -1.1 6.5 8.0 51 297 A G E -G 56 0C 33 -2,-0.3 5,-0.2 5,-0.3 -2,-0.0 -0.986 39.9-127.3 168.2-163.9 -2.8 4.5 10.8 52 298 A S S S+ 0 0 121 3,-0.6 2,-0.1 -2,-0.3 4,-0.1 -0.022 81.2 31.9-170.5 49.4 -2.0 2.7 14.1 53 299 A G S S- 0 0 65 2,-0.4 3,-0.1 0, 0.0 -2,-0.0 -0.447 117.6 -35.0-167.1-114.6 -3.3 -0.9 14.0 54 300 A S S S+ 0 0 83 -2,-0.1 2,-0.3 1,-0.1 -19,-0.1 0.125 119.6 41.1-117.8 20.7 -3.8 -3.5 11.2 55 301 A T - 0 0 69 -21,-0.2 -3,-0.6 2,-0.0 -2,-0.4 -0.992 61.2-153.5-160.6 156.1 -4.7 -1.0 8.4 56 302 A R E -FG 33 51C 63 -23,-1.8 -23,-2.3 -2,-0.3 2,-0.6 -0.992 22.8-124.2-139.0 132.2 -3.7 2.5 7.2 57 303 A T E -FG 32 50C 73 -7,-1.8 -7,-1.2 -2,-0.4 2,-0.3 -0.611 31.5-162.0 -76.3 118.6 -5.8 5.0 5.2 58 304 A V E -F 31 0C 0 -27,-0.8 -27,-0.6 -2,-0.6 -9,-0.2 -0.753 9.3-176.9-101.6 149.4 -4.0 5.8 2.0 59 305 A T - 0 0 48 -2,-0.3 -11,-1.7 -11,-0.2 2,-0.2 -0.998 28.0-111.4-146.2 148.4 -4.8 8.9 -0.1 60 306 A P B -H 47 0D 29 0, 0.0 -13,-0.2 0, 0.0 5,-0.1 -0.537 14.1-147.4 -77.9 138.6 -3.6 10.4 -3.4 61 307 A N - 0 0 91 -15,-0.6 -14,-0.1 -2,-0.2 4,-0.1 0.713 63.1 -82.1 -80.0 -17.9 -1.5 13.6 -3.3 62 308 A G S S+ 0 0 53 -35,-0.1 3,-0.1 -3,-0.0 -15,-0.0 -0.059 121.2 25.0 144.1 -37.1 -3.0 14.7 -6.6 63 309 A S S S+ 0 0 114 1,-0.1 2,-0.5 -17,-0.1 3,-0.2 0.231 97.7 89.0-137.2 11.1 -0.9 12.9 -9.3 64 310 A G + 0 0 2 1,-0.2 -3,-0.2 -37,-0.1 -1,-0.1 -0.504 37.9 156.7-109.9 65.1 0.4 9.9 -7.4 65 311 A N + 0 0 41 -2,-0.5 2,-0.5 -5,-0.1 -42,-0.5 0.836 67.8 62.4 -58.6 -28.3 -2.4 7.4 -8.0 66 312 A T S S- 0 0 46 -44,-0.3 -44,-0.2 -3,-0.2 2,-0.2 -0.858 72.8-174.5-102.0 125.6 0.2 4.6 -7.3 67 313 A F E -C 21 0B 1 -46,-1.5 -46,-1.1 -2,-0.5 2,-0.3 -0.655 8.8-156.8-111.5 171.5 1.7 4.5 -3.8 68 314 A G E +CD 20 45B 0 -23,-1.6 -23,-0.7 -48,-0.2 2,-0.3 -0.954 12.6 173.5-151.3 128.7 4.5 2.4 -2.3 69 315 A V E -CD 19 44B 0 -50,-0.9 -50,-2.2 -2,-0.3 2,-0.9 -0.936 37.4-108.3-133.8 158.2 5.2 1.5 1.3 70 316 A T E -C 18 0B 14 -27,-1.4 -28,-2.3 -2,-0.3 2,-0.9 -0.742 29.7-149.3 -88.9 109.2 7.7 -0.8 3.1 71 317 A V E -CD 17 41B 0 -54,-2.4 2,-1.3 -2,-0.9 -54,-1.2 -0.644 16.2-132.2 -79.5 106.6 5.7 -3.8 4.4 72 318 A M E -C 16 0B 25 -32,-2.2 -32,-0.3 -2,-0.9 -56,-0.2 -0.362 15.3-155.7 -59.3 94.9 7.6 -4.9 7.6 73 319 A K + 0 0 39 -2,-1.3 -1,-0.2 -58,-0.8 -34,-0.2 0.889 18.0 179.1 -41.1 -45.3 7.7 -8.7 6.7 74 320 A N S S- 0 0 65 -59,-0.9 -36,-0.3 1,-0.3 -1,-0.1 0.895 86.0 -31.8 41.1 45.4 8.0 -9.3 10.5 75 321 A G S S+ 0 0 87 -60,-0.1 -1,-0.3 1,-0.1 2,-0.3 0.810 132.9 89.9 84.6 30.0 8.0 -13.0 9.6 76 322 A S - 0 0 29 -61,-0.1 -40,-0.1 -39,-0.1 -1,-0.1 -0.776 43.8-180.0-160.0 110.4 5.7 -12.6 6.5 77 323 A S + 0 0 56 -2,-0.3 2,-0.3 -61,-0.1 -4,-0.1 0.079 50.0 119.8 -98.9 25.4 6.8 -11.9 2.9 78 324 A T S S- 0 0 79 -5,-0.2 -42,-0.2 -42,-0.1 -61,-0.1 -0.671 70.1-109.1 -90.9 145.7 3.2 -11.8 1.7 79 325 A T - 0 0 37 -2,-0.3 -1,-0.1 1,-0.1 -70,-0.1 -0.444 35.7-116.1 -71.1 146.5 1.8 -8.7 0.0 80 326 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 -45,-0.2 -0.128 29.6-104.0 -73.4 173.4 -0.8 -6.8 2.1 81 327 A A E -E 34 0C 56 -47,-2.1 -47,-2.0 -46,-0.0 2,-0.4 -0.760 33.9-170.3-101.7 149.2 -4.4 -6.3 1.0 82 328 A A E -E 33 0C 24 -2,-0.3 2,-0.3 -49,-0.2 -49,-0.2 -0.987 5.5-179.8-142.4 132.9 -5.8 -3.1 -0.5 83 329 A T E -E 32 0C 102 -51,-1.1 -51,-2.0 -2,-0.4 2,-0.3 -0.914 8.3-158.2-128.7 156.6 -9.3 -1.9 -1.3 84 330 A a E -E 31 0C 36 -2,-0.3 2,-0.3 -53,-0.2 -53,-0.2 -0.899 4.3-168.5-131.9 162.8 -10.8 1.3 -2.7 85 331 A A E -E 30 0C 61 -55,-0.6 2,-0.8 -2,-0.3 -55,-0.5 -0.998 31.9-107.2-149.7 149.9 -14.1 3.1 -2.7 86 332 A G E E 29 0C 57 -2,-0.3 -57,-0.1 -85,-0.2 -2,-0.0 -0.671 360.0 360.0 -81.6 111.1 -15.7 6.0 -4.5 87 333 A S 0 0 157 -2,-0.8 -85,-0.0 -59,-0.6 -2,-0.0 -0.828 360.0 360.0-169.3 360.0 -15.9 8.9 -2.1