==== 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 1E5B . 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) . 4566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 52.9 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 . 29 33.3 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 . 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 . 3 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 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 0 193 0, 0.0 2,-0.3 0, 0.0 85,-0.2 0.000 360.0 360.0 360.0 49.8 -18.3 2.5 -10.2 2 248 A G - 0 0 43 83,-0.1 27,-0.1 85,-0.1 83,-0.1 -0.947 360.0 -61.9-153.1 172.7 -15.3 3.3 -7.9 3 249 A a - 0 0 11 -2,-0.3 2,-0.7 25,-0.1 22,-0.2 -0.297 43.1-145.1 -59.8 143.2 -11.5 3.6 -8.0 4 250 A S - 0 0 80 20,-1.6 20,-0.5 22,-0.1 2,-0.1 -0.730 22.3-177.0-113.3 84.3 -9.7 0.4 -9.1 5 251 A V - 0 0 22 -2,-0.7 2,-0.3 18,-0.2 18,-0.3 -0.483 4.0-166.5 -79.7 151.9 -6.5 0.3 -7.1 6 252 A T B -A 22 0A 76 16,-1.5 16,-0.8 -2,-0.1 2,-0.3 -0.839 11.0-131.1-131.5 170.0 -4.0 -2.6 -7.8 7 253 A A + 0 0 41 14,-0.3 14,-0.2 -2,-0.3 2,-0.2 -0.840 19.9 174.6-122.0 161.1 -1.0 -4.0 -6.0 8 254 A T - 0 0 81 -2,-0.3 12,-1.5 0, 0.0 2,-0.2 -0.657 29.9-129.6-167.9 105.3 2.5 -4.9 -7.2 9 255 A R B +B 19 0B 120 10,-0.2 10,-0.2 -2,-0.2 3,-0.1 -0.381 34.7 169.7 -59.5 123.5 5.4 -6.1 -5.0 10 256 A A + 0 0 42 8,-1.5 9,-0.2 1,-0.3 -1,-0.1 0.764 55.7 11.8-101.4 -86.0 8.4 -3.9 -6.0 11 257 A E + 0 0 108 7,-0.9 -1,-0.3 2,-0.0 7,-0.3 -0.461 67.9 173.6 -90.0 167.1 11.5 -4.2 -3.7 12 258 A E + 0 0 102 5,-0.3 5,-0.3 -2,-0.1 2,-0.2 -0.938 7.5 157.6-170.4 146.9 11.9 -7.0 -1.1 13 259 A W - 0 0 92 3,-1.4 2,-0.9 -2,-0.3 60,-0.1 -0.841 61.5 -65.2-155.5-168.7 14.5 -8.3 1.4 14 260 A S S S+ 0 0 125 -2,-0.2 3,-0.1 1,-0.2 63,-0.0 -0.094 129.8 36.3 -83.0 41.9 14.8 -10.3 4.7 15 261 A D S S- 0 0 83 -2,-0.9 58,-0.8 1,-0.4 59,-0.8 0.367 124.5 -26.1-156.8 -37.8 12.9 -7.5 6.6 16 262 A G E - C 0 72B 0 56,-0.3 -3,-1.4 57,-0.2 2,-0.4 -0.981 51.5-124.2-174.6 169.5 10.2 -6.0 4.4 17 263 A F E - C 0 71B 0 54,-0.8 54,-1.5 -2,-0.3 2,-1.5 -0.989 22.8-121.9-133.1 139.4 9.2 -5.3 0.8 18 264 A N E - C 0 70B 29 -2,-0.4 -8,-1.5 -7,-0.3 -7,-0.9 -0.588 34.9-160.2 -79.6 92.4 8.3 -2.0 -1.0 19 265 A V E -BC 9 69B 0 50,-2.2 50,-1.5 -2,-1.5 2,-0.5 -0.420 3.3-156.1 -71.1 148.0 4.8 -2.8 -2.2 20 266 A T E - C 0 68B 33 -12,-1.5 2,-0.5 48,-0.2 48,-0.2 -0.818 5.5-167.5-129.9 96.2 3.6 -0.5 -5.0 21 267 A Y E - C 0 67B 4 46,-1.3 46,-1.8 -2,-0.5 2,-0.7 -0.681 11.7-151.1 -83.0 126.6 -0.2 -0.2 -5.3 22 268 A S B -A 6 0A 45 -16,-0.8 -16,-1.5 -2,-0.5 2,-0.3 -0.858 5.9-155.0-102.7 117.6 -1.2 1.4 -8.6 23 269 A V + 0 0 5 -2,-0.7 2,-0.3 42,-0.3 -18,-0.2 -0.676 18.7 170.9 -89.3 141.8 -4.5 3.4 -8.6 24 270 A S + 0 0 65 -20,-0.5 -20,-1.6 -2,-0.3 3,-0.1 -0.956 48.9 48.7-152.6 130.5 -6.4 3.8 -11.9 25 271 A G S S+ 0 0 75 -2,-0.3 2,-0.3 -22,-0.2 -22,-0.1 -0.112 110.0 7.4 134.1 -38.8 -9.9 5.2 -12.6 26 272 A S - 0 0 69 1,-0.1 3,-0.2 -22,-0.0 -22,-0.1 -0.976 57.0-129.5-160.8 171.7 -9.9 8.5 -10.7 27 273 A S S S+ 0 0 77 -2,-0.3 2,-2.2 1,-0.2 -1,-0.1 0.837 97.5 64.7 -98.8 -43.6 -7.7 10.9 -8.7 28 274 A A S S+ 0 0 72 31,-0.1 59,-0.7 34,-0.1 2,-0.3 -0.485 79.5 130.2 -80.0 76.5 -9.9 11.3 -5.5 29 275 A W - 0 0 1 -2,-2.2 2,-0.4 -3,-0.2 57,-0.1 -0.782 48.4-142.5-123.7 170.2 -9.7 7.7 -4.4 30 276 A T - 0 0 56 55,-0.5 2,-0.9 -2,-0.3 55,-0.4 -0.937 6.2-165.4-138.8 116.1 -8.8 5.9 -1.1 31 277 A V - 0 0 0 -2,-0.4 2,-0.8 27,-0.4 27,-0.7 -0.806 13.4-151.5-103.0 99.7 -6.8 2.7 -0.9 32 278 A N E -EF 57 83C 62 51,-1.9 51,-1.1 -2,-0.9 25,-0.2 -0.542 16.0-150.5 -70.6 107.8 -7.3 1.2 2.6 33 279 A L E -EF 56 82C 0 23,-2.2 23,-2.1 -2,-0.8 2,-0.4 -0.547 12.5-169.4 -79.8 144.6 -4.0 -0.7 3.1 34 280 A A E - F 0 81C 26 47,-2.0 47,-2.2 21,-0.2 21,-0.2 -0.826 8.9-152.0-137.8 99.2 -4.2 -3.8 5.4 35 281 A L - 0 0 15 -2,-0.4 2,-0.4 45,-0.2 46,-0.1 -0.070 21.0-119.9 -60.5 170.8 -0.9 -5.4 6.4 36 282 A N > - 0 0 38 42,-0.2 3,-2.1 40,-0.1 -1,-0.1 -0.898 66.3 -19.3-117.5 147.3 -0.8 -9.1 7.2 37 283 A G T 3 S- 0 0 56 -2,-0.4 37,-0.1 1,-0.3 38,-0.1 -0.311 128.0 -27.6 58.9-139.0 0.1 -10.8 10.5 38 284 A S T 3 S+ 0 0 95 36,-0.3 -1,-0.3 35,-0.2 36,-0.1 0.258 100.1 138.9 -92.3 15.0 2.2 -8.5 12.7 39 285 A Q < - 0 0 5 -3,-2.1 2,-0.3 34,-0.2 34,-0.1 0.054 32.9-167.0 -49.4 171.3 3.5 -6.7 9.6 40 286 A T - 0 0 51 32,-0.1 32,-2.3 14,-0.0 2,-0.9 -0.969 28.8 -94.2-156.3 169.9 3.7 -2.9 9.9 41 287 A I E +D 71 0B 30 -2,-0.3 30,-0.2 30,-0.2 3,-0.1 -0.795 36.7 171.7 -95.6 107.0 4.3 0.2 7.7 42 288 A Q E - 0 0 106 28,-1.5 2,-0.3 -2,-0.9 -1,-0.2 0.845 68.0 -19.8 -82.9 -33.6 8.0 1.1 7.8 43 289 A A E -D 70 0B 42 27,-0.5 27,-1.3 2,-0.0 2,-0.3 -0.986 59.0-172.6-163.4 169.4 7.7 3.8 5.1 44 290 A S E +D 69 0B 43 -2,-0.3 2,-0.3 25,-0.3 25,-0.2 -0.983 4.2 175.4-162.0 168.1 5.4 5.1 2.2 45 291 A W E +D 68 0B 99 23,-0.9 23,-1.6 -2,-0.3 -2,-0.0 -0.988 57.9 50.8-170.0 168.7 5.3 7.7 -0.6 46 292 A N S S+ 0 0 81 -2,-0.3 15,-0.5 21,-0.2 2,-0.3 0.578 116.2 39.5 69.6 4.2 3.3 8.9 -3.6 47 293 A A B S-H 60 0D 10 13,-0.2 2,-1.1 21,-0.1 21,-0.1 -0.906 93.1-101.2-176.3 147.1 0.4 9.1 -1.1 48 294 A N + 0 0 103 11,-1.7 2,-0.4 -2,-0.3 11,-0.3 -0.633 46.9 179.4 -80.0 101.2 -0.4 10.0 2.5 49 295 A V + 0 0 12 -2,-1.1 2,-0.3 9,-0.2 9,-0.2 -0.852 9.0 152.8-105.3 137.8 -0.5 6.7 4.3 50 296 A T E +G 57 0C 100 7,-1.1 7,-1.8 -2,-0.4 2,-0.3 -0.994 1.5 140.3-158.0 155.1 -1.2 6.5 8.1 51 297 A G E -G 56 0C 30 -2,-0.3 5,-0.2 5,-0.3 -2,-0.0 -0.940 34.8-135.4-172.7-167.0 -2.7 4.0 10.6 52 298 A S S S+ 0 0 126 3,-1.0 2,-0.2 -2,-0.3 4,-0.1 -0.230 80.7 5.8-170.5 68.9 -2.3 2.6 14.1 53 299 A G S S- 0 0 56 2,-0.0 3,-0.1 -15,-0.0 -2,-0.0 -0.685 125.7 -24.5 155.7 -96.6 -2.7 -1.1 14.5 54 300 A S S S+ 0 0 66 -2,-0.2 2,-0.3 1,-0.1 -19,-0.1 0.071 119.9 51.8-137.5 25.2 -3.2 -3.4 11.4 55 301 A T - 0 0 73 -21,-0.2 -3,-1.0 2,-0.0 2,-0.4 -0.975 55.2-167.1-160.5 144.7 -4.7 -1.0 8.8 56 302 A R E -EG 33 51C 51 -23,-2.1 -23,-2.2 -2,-0.3 2,-0.5 -0.997 23.0-126.7-138.4 136.9 -3.8 2.4 7.4 57 303 A T E -EG 32 50C 71 -7,-1.8 -7,-1.1 -2,-0.4 2,-0.3 -0.684 26.6-154.4 -83.8 126.3 -5.8 4.8 5.2 58 304 A V - 0 0 0 -27,-0.7 -27,-0.4 -2,-0.5 -9,-0.2 -0.707 12.0-173.5 -99.1 152.3 -4.0 5.8 2.0 59 305 A T - 0 0 48 -2,-0.3 -11,-1.7 -11,-0.3 2,-0.2 -0.999 24.9-114.4-146.8 147.0 -4.7 9.0 0.1 60 306 A P B -H 47 0D 32 0, 0.0 -13,-0.2 0, 0.0 5,-0.1 -0.504 12.4-153.9 -78.3 143.7 -3.6 10.5 -3.2 61 307 A N - 0 0 85 -15,-0.5 -14,-0.1 -2,-0.2 4,-0.0 0.765 56.6 -89.6 -90.0 -26.6 -1.5 13.7 -3.1 62 308 A G S S+ 0 0 63 -16,-0.2 3,-0.1 -35,-0.1 -34,-0.1 0.244 118.1 35.3 136.1 -10.1 -2.6 15.0 -6.6 63 309 A S S S+ 0 0 114 -17,-0.1 3,-0.1 -36,-0.1 -16,-0.1 0.138 98.8 75.5-155.8 23.1 -0.1 13.4 -8.9 64 310 A G + 0 0 4 1,-0.1 -3,-0.2 -18,-0.1 -19,-0.1 -0.434 39.8 160.1-138.3 64.1 0.7 9.9 -7.3 65 311 A N S S+ 0 0 50 -5,-0.1 2,-0.5 -3,-0.1 -42,-0.3 0.896 72.5 60.2 -53.8 -37.6 -2.2 7.6 -8.1 66 312 A T S S- 0 0 41 -44,-0.2 -44,-0.3 -3,-0.1 2,-0.2 -0.802 75.3-171.9 -95.2 125.6 0.2 4.7 -7.4 67 313 A F E -C 21 0B 1 -46,-1.8 -46,-1.3 -2,-0.5 2,-0.4 -0.692 7.9-155.7-111.1 167.4 1.8 4.6 -3.9 68 314 A G E +CD 20 45B 0 -23,-1.6 -23,-0.9 -48,-0.2 2,-0.3 -0.990 13.8 171.7-145.1 134.1 4.5 2.5 -2.4 69 315 A V E -CD 19 44B 0 -50,-1.5 -50,-2.2 -2,-0.4 2,-0.3 -0.989 35.2-108.7-141.6 151.6 5.3 1.5 1.2 70 316 A T E -CD 18 43B 9 -27,-1.3 -28,-1.5 -2,-0.3 2,-0.7 -0.590 27.6-146.4 -79.9 138.4 7.7 -0.9 3.0 71 317 A V E -CD 17 41B 0 -54,-1.5 2,-1.8 -2,-0.3 -54,-0.8 -0.873 11.1-136.8-108.7 108.1 6.0 -4.0 4.5 72 318 A M E -C 16 0B 23 -32,-2.3 -56,-0.3 -2,-0.7 -32,-0.1 -0.365 16.6-162.3 -61.6 88.4 7.7 -5.2 7.7 73 319 A K + 0 0 20 -2,-1.8 -1,-0.2 -58,-0.8 -35,-0.2 0.883 13.6 179.0 -41.7 -42.6 7.5 -8.9 6.8 74 320 A N S S- 0 0 81 -59,-0.8 -36,-0.3 1,-0.3 -1,-0.1 0.887 87.0 -26.6 38.6 45.8 8.1 -9.6 10.5 75 321 A G S S+ 0 0 79 1,-0.1 -1,-0.3 -38,-0.1 2,-0.3 0.744 133.5 87.5 91.4 24.9 7.9 -13.3 9.6 76 322 A S + 0 0 43 -5,-0.1 -40,-0.1 -61,-0.1 -1,-0.1 -0.818 42.8 178.7-157.8 113.3 5.6 -12.7 6.5 77 323 A S + 0 0 60 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.091 50.0 118.5-102.1 24.3 6.7 -11.9 2.9 78 324 A T S S- 0 0 83 -5,-0.1 -42,-0.2 1,-0.1 -61,-0.1 -0.649 70.5-107.8 -90.5 148.0 3.1 -11.8 1.6 79 325 A T - 0 0 38 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.445 35.8-115.2 -72.8 148.4 1.7 -8.6 0.0 80 326 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 -45,-0.2 -0.150 30.6-102.8 -74.5 172.2 -0.9 -6.7 2.1 81 327 A A E -F 34 0C 55 -47,-2.2 -47,-2.0 -46,-0.1 2,-0.4 -0.736 33.8-168.9 -99.5 149.3 -4.5 -6.2 1.0 82 328 A A E -F 33 0C 26 -2,-0.3 2,-0.3 -49,-0.2 -49,-0.2 -0.991 5.2-178.1-140.7 133.3 -5.8 -3.0 -0.5 83 329 A T E -F 32 0C 94 -51,-1.1 -51,-1.9 -2,-0.4 2,-0.3 -0.901 4.6-167.7-127.2 157.3 -9.3 -1.8 -1.2 84 330 A a - 0 0 34 -2,-0.3 2,-0.3 -53,-0.2 -53,-0.2 -0.925 3.7-170.3-140.2 166.3 -10.7 1.3 -2.8 85 331 A A - 0 0 61 -55,-0.4 -55,-0.5 -2,-0.3 2,-0.5 -0.994 30.1-108.1-156.2 150.0 -14.1 3.1 -3.2 86 332 A G 0 0 51 -2,-0.3 -57,-0.1 -85,-0.2 -84,-0.0 -0.681 360.0 360.0 -83.9 127.7 -15.5 6.1 -5.2 87 333 A S 0 0 166 -59,-0.7 -1,-0.1 -2,-0.5 -58,-0.1 0.378 360.0 360.0-128.7 360.0 -16.2 9.1 -3.0