==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 18-MAY-05 2COV . COMPND 2 MOLECULE: BETA-1,3-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES SP.; . AUTHOR H.HASHIMOTO,Y.TAMAI,F.OKAZAKI,Y.TAMARU,T.SHIMIZU,T.ARAKI,M.S . 534 6 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 68.9 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 . 276 51.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 3.4 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 . 6 1.1 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 . 42 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 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 0 6 6 6 6 9 0 0 6 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 6 0 0 0 3 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 1 378 D P 0 0 144 0, 0.0 5,-0.1 0, 0.0 90,-0.1 0.000 360.0 360.0 360.0 114.6 14.8 42.6 1.5 2 379 D P >> - 0 0 78 0, 0.0 3,-2.6 0, 0.0 4,-0.5 -0.243 360.0-101.7 -79.3 164.4 17.9 41.6 3.4 3 380 D E G >4 S+ 0 0 160 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.833 118.8 54.9 -48.1 -45.9 19.8 38.3 3.0 4 381 D N G 34 S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.1 87,-0.1 0.660 111.1 47.3 -67.7 -15.6 18.5 36.8 6.2 5 382 D a G <4 S+ 0 0 17 -3,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.312 89.3 85.8-101.9 -0.1 14.9 37.4 5.0 6 383 D Q << + 0 0 117 -3,-1.5 -2,-0.1 -4,-0.5 -1,-0.1 0.839 64.7 93.1 -71.5 -38.4 15.2 36.0 1.5 7 384 D D S S- 0 0 69 -4,-0.5 17,-0.1 1,-0.1 0, 0.0 -0.337 71.1-137.4 -68.1 141.0 14.6 32.4 2.0 8 385 D D S S+ 0 0 58 1,-0.1 16,-2.6 15,-0.1 2,-0.6 0.721 97.6 60.2 -64.8 -25.1 11.1 31.0 1.7 9 386 D F E S+A 23 0A 2 14,-0.2 2,-0.2 72,-0.0 14,-0.2 -0.938 85.1 111.2-106.6 108.0 11.6 28.9 4.8 10 387 D N E -A 22 0A 2 12,-2.4 12,-2.7 -2,-0.6 2,-0.3 -0.821 52.5-110.0-160.1-170.3 12.2 31.3 7.6 11 388 D F E -A 21 0A 6 -2,-0.2 2,-0.4 10,-0.2 10,-0.2 -0.982 10.2-145.3-142.4 155.4 11.1 33.1 10.8 12 389 D N E -A 20 0A 6 8,-2.5 8,-2.8 -2,-0.3 2,-0.4 -0.969 23.6-122.4-114.8 139.1 10.0 36.4 12.2 13 390 D Y E +A 19 0A 59 76,-2.9 6,-0.2 -2,-0.4 3,-0.1 -0.676 32.1 171.9 -66.5 130.7 10.7 37.8 15.6 14 391 D V E - 0 0 68 4,-2.3 2,-0.3 1,-0.6 5,-0.2 0.748 65.4 -31.9-106.5 -53.1 7.2 38.5 17.2 15 392 D S E > S-A 18 0A 30 3,-1.7 3,-1.8 0, 0.0 -1,-0.6 -0.922 77.4 -77.0-154.7 180.0 8.4 39.5 20.7 16 393 D D T 3 S+ 0 0 97 -2,-0.3 43,-0.7 1,-0.3 3,-0.0 0.740 132.3 32.4 -62.0 -18.6 11.3 38.6 23.0 17 394 D Q T 3 S+ 0 0 119 41,-0.1 40,-1.5 1,-0.1 2,-0.4 0.241 111.5 70.5-120.4 17.7 9.6 35.3 23.9 18 395 D E E < -AB 15 56A 75 -3,-1.8 -4,-2.3 38,-0.3 -3,-1.7 -0.991 50.9-174.5-139.4 133.1 7.8 34.5 20.6 19 396 D I E -AB 13 55A 0 36,-2.2 36,-2.4 -2,-0.4 2,-0.6 -0.936 15.6-147.0-118.5 137.5 9.0 33.3 17.2 20 397 D E E -AB 12 54A 33 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.4 -0.962 14.6-160.1-104.6 126.0 6.8 32.9 14.1 21 398 D V E +AB 11 53A 0 32,-2.7 32,-1.9 -2,-0.6 2,-0.3 -0.796 20.0 170.2-101.5 135.7 8.0 30.1 11.8 22 399 D Y E -AB 10 52A 4 -12,-2.7 -12,-2.4 -2,-0.4 2,-0.4 -0.984 30.7-156.6-147.1 158.9 6.8 30.2 8.2 23 400 D H E -AB 9 51A 8 28,-2.1 28,-2.7 -2,-0.3 -14,-0.2 -0.964 29.9-125.2-132.3 121.7 7.2 28.7 4.8 24 401 D V E - B 0 50A 35 -16,-2.6 26,-0.3 -2,-0.4 2,-0.3 -0.311 42.3 -93.3 -57.7 141.1 6.1 30.7 1.7 25 402 D D + 0 0 51 24,-3.0 -1,-0.1 1,-0.1 25,-0.0 -0.460 41.9 178.7 -61.0 125.0 3.6 28.8 -0.5 26 403 D K - 0 0 120 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.175 60.0 -88.9-114.0 11.9 5.4 26.8 -3.2 27 404 D G + 0 0 55 1,-0.2 -2,-0.1 2,-0.0 44,-0.0 0.469 69.8 154.6 105.6 2.4 2.3 25.3 -4.7 28 405 D W - 0 0 22 1,-0.1 -1,-0.2 43,-0.1 43,-0.2 -0.205 56.6-116.5 -58.4 154.5 1.7 22.0 -2.9 29 406 D S - 0 0 32 1,-0.1 42,-0.2 40,-0.1 -1,-0.1 0.898 45.1-170.8 -60.9 -38.7 -1.8 20.6 -2.6 30 407 D A + 0 0 20 40,-2.1 41,-0.1 1,-0.1 -1,-0.1 0.827 24.7 161.9 58.3 45.5 -1.4 21.2 1.1 31 408 D G S S+ 0 0 65 1,-0.1 2,-0.3 38,-0.0 -1,-0.1 0.794 79.7 11.5 -62.4 -30.0 -4.5 19.4 2.4 32 409 D W S S- 0 0 32 2,-0.0 38,-2.5 11,-0.0 2,-0.3 -0.950 73.2-179.9-137.3 160.1 -2.6 19.5 5.7 33 410 D N E -D 69 0B 19 -2,-0.3 11,-1.1 36,-0.2 2,-0.4 -0.955 9.9-158.0-156.7 148.7 0.5 21.2 7.0 34 411 D Y E -DE 68 43B 18 34,-2.7 34,-2.7 -2,-0.3 2,-0.4 -0.995 2.5-162.5-129.2 139.3 2.6 21.4 10.1 35 412 D V E -DE 67 42B 1 7,-2.7 7,-2.6 -2,-0.4 2,-0.3 -0.960 22.3-173.6-112.2 137.0 5.0 24.0 11.3 36 413 D b E -DE 66 41B 0 30,-2.7 30,-2.1 -2,-0.4 2,-0.4 -0.953 24.9-160.4-137.5 150.4 7.4 22.9 14.1 37 414 D L E > S-DE 65 40B 12 3,-2.1 3,-1.7 -2,-0.3 28,-0.2 -0.993 90.6 -14.5-127.2 120.5 10.0 24.3 16.4 38 415 D N T 3 S- 0 0 66 26,-3.1 27,-0.1 -2,-0.4 3,-0.1 0.855 129.3 -55.7 50.1 41.3 12.3 21.7 17.9 39 416 D D T 3 S+ 0 0 25 25,-0.5 2,-0.7 1,-0.3 -1,-0.3 0.617 106.4 127.5 67.9 13.8 9.9 19.0 16.7 40 417 D Y E < -E 37 0B 24 -3,-1.7 -3,-2.1 180,-0.1 2,-0.4 -0.938 49.3-160.7 -94.5 111.9 6.9 20.5 18.6 41 418 D b E +E 36 0B 23 -2,-0.7 -5,-0.2 -5,-0.2 224,-0.1 -0.860 22.3 174.9-112.6 140.2 4.4 20.7 15.7 42 419 D L E -E 35 0B 15 -7,-2.6 -7,-2.7 -2,-0.4 2,-0.1 -0.972 42.5 -96.1-133.6 149.0 1.3 22.7 15.1 43 420 D P E -E 34 0B 36 0, 0.0 -9,-0.3 0, 0.0 2,-0.2 -0.427 48.5-123.8 -62.5 132.4 -1.0 22.9 12.1 44 421 D G - 0 0 8 -11,-1.1 2,-0.4 -2,-0.1 9,-0.2 -0.541 10.9-134.1 -78.9 149.9 0.1 26.0 10.1 45 422 D N E -C 52 0A 95 7,-2.6 7,-2.4 -2,-0.2 2,-0.6 -0.824 17.5-136.6 -97.0 132.0 -2.3 28.8 9.3 46 423 D K E +C 51 0A 117 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.827 40.4 149.7 -91.3 118.3 -2.0 30.0 5.7 47 424 D S E > -C 50 0A 56 3,-2.7 3,-1.5 -2,-0.6 -2,-0.0 -0.983 59.7 -2.7-150.9 136.1 -2.1 33.8 5.5 48 425 D N T 3 S- 0 0 146 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.846 130.1 -47.7 51.7 40.1 -0.6 36.3 3.1 49 426 D G T 3 S+ 0 0 41 1,-0.2 -24,-3.0 -25,-0.1 2,-0.3 0.458 119.9 81.2 89.8 4.6 1.1 33.8 1.0 50 427 D A E < S-BC 24 47A 0 -3,-1.5 -3,-2.7 -26,-0.3 2,-0.5 -0.985 72.7-121.7-143.7 152.2 2.8 31.6 3.7 51 428 D F E +BC 23 46A 7 -28,-2.7 -28,-2.1 -2,-0.3 2,-0.3 -0.807 48.7 173.3 -87.9 129.8 2.0 28.9 6.1 52 429 D R E +BC 22 45A 28 -7,-2.4 -7,-2.6 -2,-0.5 2,-0.3 -0.975 24.1 169.9-150.8 147.2 2.8 30.2 9.6 53 430 D K E -B 21 0A 59 -32,-1.9 -32,-2.7 -2,-0.3 2,-0.3 -0.967 24.3-129.9-154.7 151.0 2.6 29.5 13.3 54 431 D T E +B 20 0A 49 -2,-0.3 2,-0.3 -34,-0.3 -34,-0.2 -0.788 24.7 177.3-106.7 149.3 4.0 31.1 16.5 55 432 D F E -B 19 0A 9 -36,-2.4 -36,-2.2 -2,-0.3 2,-0.2 -0.936 37.4 -92.1-141.7 158.0 5.9 29.4 19.4 56 433 D N E +B 18 0A 48 -2,-0.3 2,-0.3 -38,-0.2 -38,-0.3 -0.545 55.9 159.9 -66.6 142.4 7.6 30.3 22.6 57 434 D A - 0 0 6 -40,-1.5 2,-0.4 -2,-0.2 6,-0.0 -0.971 36.3-126.2-157.4 171.6 11.3 30.9 22.1 58 435 D V > - 0 0 86 -2,-0.3 3,-2.0 -41,-0.0 28,-0.3 -0.987 34.5-110.6-128.5 123.6 14.4 32.6 23.7 59 436 D L T 3 S+ 0 0 61 -43,-0.7 28,-0.2 -2,-0.4 3,-0.1 -0.303 102.2 21.3 -53.0 133.4 16.5 35.1 21.8 60 437 D G T 3 S+ 0 0 44 26,-3.1 -1,-0.3 1,-0.4 2,-0.2 0.275 94.8 120.0 88.1 -7.1 20.0 33.7 21.0 61 438 D Q < - 0 0 85 -3,-2.0 25,-2.8 25,-0.1 2,-0.4 -0.518 63.1-121.5 -88.3 152.8 19.0 30.1 21.3 62 439 D D E - F 0 85B 48 23,-0.2 2,-0.3 -2,-0.2 23,-0.2 -0.829 32.9-178.6 -95.9 140.0 19.3 27.7 18.4 63 440 D Y E - F 0 84B 23 21,-2.7 21,-2.7 -2,-0.4 2,-0.6 -0.976 28.4-125.8-137.6 151.0 16.3 25.8 17.1 64 441 D K E - F 0 83B 36 -2,-0.3 -26,-3.1 19,-0.2 -25,-0.5 -0.845 26.9-156.1 -92.7 122.8 15.4 23.3 14.4 65 442 D L E -DF 37 82B 0 17,-3.4 17,-2.2 -2,-0.6 2,-0.4 -0.826 12.2-173.9 -91.5 143.2 12.6 24.5 12.2 66 443 D T E -DF 36 81B 2 -30,-2.1 -30,-2.7 -2,-0.4 2,-0.4 -0.997 12.8-170.2-137.4 141.6 10.4 22.0 10.3 67 444 D F E -DF 35 80B 2 13,-2.4 13,-3.0 -2,-0.4 2,-0.4 -0.999 7.5-174.0-127.0 124.4 7.8 22.4 7.7 68 445 D K E +DF 34 79B 66 -34,-2.7 -34,-2.7 -2,-0.4 2,-0.4 -0.982 9.6 179.3-117.3 132.2 5.7 19.3 6.8 69 446 D V E -DF 33 78B 0 9,-2.6 9,-2.1 -2,-0.4 -36,-0.2 -0.994 30.5-121.6-143.3 136.4 3.2 19.5 4.0 70 447 D E E + F 0 77B 11 -38,-2.5 -40,-2.1 -2,-0.4 2,-0.3 -0.442 43.5 174.5 -65.3 137.2 0.7 17.3 2.1 71 448 D D E > + F 0 76B 20 5,-1.9 5,-1.6 -42,-0.2 3,-0.3 -0.971 42.9 37.0-146.5 158.6 1.5 17.1 -1.6 72 449 D R T > 5S- 0 0 47 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.774 114.1 -75.3 73.5 25.8 0.5 15.4 -4.8 73 450 D Y T 3 5S- 0 0 196 1,-0.3 -1,-0.2 2,-0.1 -45,-0.0 0.929 107.2 -28.7 58.5 50.9 -3.2 15.4 -4.0 74 451 D G T 3 5S+ 0 0 10 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.288 126.3 91.7 96.7 -8.6 -3.2 12.6 -1.5 75 452 D Q T < 5S- 0 0 69 -3,-1.0 101,-1.9 -4,-0.2 2,-0.3 0.387 90.1 -10.8-107.1 5.5 -0.2 10.9 -3.0 76 453 D G E < -FG 71 175B 10 -5,-1.6 -5,-1.9 99,-0.2 2,-0.3 -0.914 49.5-142.0-175.5-167.3 2.8 12.4 -1.1 77 454 D Q E -FG 70 174B 54 97,-1.5 97,-2.6 -2,-0.3 2,-0.3 -0.964 10.5-136.9-166.2 167.7 4.3 14.8 1.2 78 455 D Q E -FG 69 173B 21 -9,-2.1 -9,-2.6 -2,-0.3 2,-0.4 -0.996 10.1-165.7-139.2 139.3 7.4 16.9 1.8 79 456 D I E -FG 68 172B 41 93,-2.4 93,-2.3 -2,-0.3 2,-0.4 -0.996 7.9-172.0-127.4 124.9 9.3 17.6 5.0 80 457 D L E -FG 67 171B 6 -13,-3.0 -13,-2.4 -2,-0.4 2,-0.4 -0.965 1.2-173.2-118.5 133.3 11.9 20.4 5.3 81 458 D D E +FG 66 170B 18 89,-2.6 89,-1.6 -2,-0.4 2,-0.3 -0.981 8.8 165.0-123.1 143.1 14.2 21.0 8.2 82 459 D R E -FG 65 169B 43 -17,-2.2 -17,-3.4 -2,-0.4 2,-0.4 -0.975 28.3-130.4-149.6 147.1 16.6 23.9 8.9 83 460 D N E +F 64 0B 17 85,-2.0 2,-0.3 -2,-0.3 -19,-0.2 -0.724 32.1 170.9 -94.9 139.5 18.5 25.1 11.9 84 461 D I E -F 63 0B 11 -21,-2.7 -21,-2.7 -2,-0.4 2,-0.5 -0.899 33.1-126.0-137.8 161.0 18.4 28.7 13.0 85 462 D T E -F 62 0B 66 -2,-0.3 2,-0.5 -23,-0.2 -23,-0.2 -0.971 37.1-117.5-104.8 129.8 19.4 31.1 15.8 86 463 D F + 0 0 1 -25,-2.8 -26,-3.1 -2,-0.5 2,-0.2 -0.592 49.5 156.0 -75.0 117.7 16.5 33.1 17.1 87 464 D T - 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