==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(XYLAN DEGRADATION) 22-NOV-00 1HEJ . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR P.J.SIMPSON,X.HEFANG,D.N.BOLAM,P.WHITE,S.M.HANCOCK, . 88 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4987.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 50 56.8 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 . 30 34.1 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 . 1 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 . 16 18.2 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 3 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 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 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 1 557 C T 0 0 191 0, 0.0 85,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 74.0 4.4 16.3 -12.6 2 558 C G + 0 0 67 2,-0.0 2,-0.1 0, 0.0 84,-0.1 -0.116 360.0 151.5-164.6 53.7 2.7 15.8 -9.3 3 559 C S - 0 0 67 1,-0.1 2,-0.2 82,-0.1 83,-0.1 -0.361 47.7-100.6 -85.0 170.6 3.2 12.3 -7.9 4 560 C a - 0 0 22 27,-0.1 2,-0.6 -2,-0.1 -1,-0.1 -0.515 28.3-123.9 -88.2 161.2 3.2 11.4 -4.2 5 561 C S + 0 0 56 -2,-0.2 20,-2.1 81,-0.0 21,-0.6 -0.899 52.9 126.9-108.0 116.6 6.4 10.9 -2.2 6 562 C V E -A 24 0A 33 -2,-0.6 2,-0.3 18,-0.2 18,-0.2 -0.994 36.0-154.7-160.9 161.5 6.7 7.6 -0.4 7 563 C S E -A 23 0A 68 16,-1.9 16,-1.7 -2,-0.3 2,-0.6 -1.000 14.5-136.7-144.9 141.2 8.9 4.5 0.0 8 564 C A E +A 22 0A 51 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.859 28.0 173.2-102.1 121.6 8.2 0.9 1.0 9 565 C V E -A 21 0A 83 12,-2.2 12,-1.9 -2,-0.6 -2,-0.0 -0.918 45.8 -87.5-122.5 152.4 10.6 -0.7 3.5 10 566 C R - 0 0 164 -2,-0.3 10,-0.2 10,-0.2 2,-0.1 -0.254 56.2-170.3 -52.4 143.8 10.4 -4.1 5.1 11 567 C G - 0 0 15 8,-0.2 2,-0.7 59,-0.1 9,-0.3 -0.169 37.5 -42.8-117.6-145.8 8.3 -3.5 8.3 12 568 C E + 0 0 141 -2,-0.1 7,-1.0 6,-0.1 2,-0.2 -0.762 62.9 178.4 -90.0 118.2 7.5 -5.6 11.4 13 569 C E B -B 18 0A 77 -2,-0.7 5,-0.3 5,-0.3 3,-0.1 -0.562 14.8-171.7-110.2 177.9 6.6 -9.2 10.4 14 570 C W - 0 0 151 3,-2.1 -1,-0.1 -2,-0.2 4,-0.1 0.314 48.7 -69.9-132.9 -92.9 5.7 -12.2 12.5 15 571 C A S S+ 0 0 69 2,-0.4 -1,-0.1 0, 0.0 3,-0.0 0.382 117.6 17.9-138.8 -75.9 5.4 -15.8 11.1 16 572 C D S S+ 0 0 112 58,-0.1 58,-1.4 -3,-0.1 59,-0.6 0.688 132.3 37.4 -80.2 -15.8 2.5 -16.6 8.8 17 573 C R E - C 0 73A 97 56,-0.2 -3,-2.1 57,-0.1 -2,-0.4 -0.942 69.4-159.2-133.0 156.1 1.9 -12.9 8.1 18 574 C F E -BC 13 72A 16 54,-1.7 54,-1.9 -2,-0.3 2,-0.5 -0.966 7.2-147.2-134.7 151.8 4.3 -9.9 7.7 19 575 C N E - C 0 71A 1 -7,-1.0 2,-0.2 -2,-0.3 52,-0.2 -0.965 12.3-160.5-122.3 125.3 3.8 -6.1 8.1 20 576 C V E - C 0 70A 2 50,-1.4 50,-1.5 -2,-0.5 2,-0.5 -0.674 11.5-136.2-100.6 158.1 5.7 -3.6 6.0 21 577 C T E -AC 9 69A 53 -12,-1.9 -12,-2.2 -2,-0.2 2,-0.5 -0.946 14.4-166.1-116.8 128.3 6.2 0.1 6.8 22 578 C Y E -AC 8 68A 0 46,-1.5 46,-1.3 -2,-0.5 2,-0.4 -0.938 7.3-153.4-115.2 125.2 5.8 2.8 4.2 23 579 C S E -A 7 0A 48 -16,-1.7 -16,-1.9 -2,-0.5 2,-0.3 -0.752 13.2-169.9 -96.4 141.8 7.0 6.4 4.8 24 580 C V E -A 6 0A 18 -2,-0.4 -18,-0.2 -18,-0.2 42,-0.2 -0.879 22.3-159.2-127.2 160.9 5.4 9.4 3.0 25 581 C S S S+ 0 0 97 -20,-2.1 -19,-0.1 -2,-0.3 -1,-0.1 0.676 92.3 29.7-110.4 -26.9 6.3 13.1 2.7 26 582 C G + 0 0 37 -21,-0.6 2,-2.2 1,-0.1 4,-0.1 0.877 63.8 161.2 -96.5 -70.4 2.9 14.5 1.8 27 583 C S > + 0 0 5 2,-0.3 3,-0.8 1,-0.2 -1,-0.1 -0.412 64.2 79.2 81.3 -66.8 0.2 12.3 3.3 28 584 C S T 3 S+ 0 0 100 -2,-2.2 2,-0.5 1,-0.3 -1,-0.2 0.829 98.2 48.9 -43.3 -29.8 -2.5 15.0 3.0 29 585 C S T 3 S+ 0 0 85 31,-0.1 2,-0.5 2,-0.0 -1,-0.3 -0.516 80.2 172.7-111.0 66.1 -2.6 13.9 -0.6 30 586 C W < + 0 0 21 -3,-0.8 28,-0.0 -2,-0.5 -2,-0.0 -0.601 22.1 132.4 -77.1 124.4 -2.9 10.1 -0.2 31 587 C V + 0 0 92 -2,-0.5 2,-0.2 53,-0.1 -1,-0.1 0.040 23.7 143.2-160.1 31.9 -3.4 8.3 -3.5 32 588 C V - 0 0 0 53,-0.1 27,-0.9 -29,-0.1 2,-0.6 -0.520 42.5-138.9 -79.0 149.0 -0.9 5.5 -3.7 33 589 C T E -EF 58 84B 56 51,-0.6 51,-0.7 25,-0.2 2,-0.5 -0.911 11.6-145.6-111.1 114.5 -2.0 2.2 -5.3 34 590 C L E -EF 57 83B 2 23,-1.7 23,-1.1 -2,-0.6 2,-0.8 -0.638 8.2-159.3 -79.4 126.2 -0.8 -0.9 -3.4 35 591 C G E -E 56 0B 40 47,-1.5 47,-0.4 -2,-0.5 21,-0.2 -0.739 14.6-176.7-108.0 87.5 0.0 -3.7 -5.8 36 592 C L - 0 0 19 19,-0.9 44,-0.1 -2,-0.8 5,-0.0 0.127 40.4-100.6 -65.6-167.8 -0.1 -7.0 -3.9 37 593 C N - 0 0 66 42,-0.2 -1,-0.1 44,-0.0 42,-0.1 -0.171 56.4 -97.7-111.4 41.1 0.8 -10.3 -5.5 38 594 C G S S+ 0 0 77 1,-0.2 3,-0.1 17,-0.1 16,-0.0 0.953 114.6 57.5 44.2 68.8 -2.8 -11.5 -6.1 39 595 C G S S+ 0 0 50 1,-0.6 -1,-0.2 38,-0.0 38,-0.1 0.037 83.6 76.0 174.4 -47.2 -2.8 -13.7 -2.9 40 596 C Q - 0 0 2 36,-0.1 -1,-0.6 32,-0.1 2,-0.3 -0.309 59.7-159.4 -80.3 170.5 -2.1 -11.7 0.2 41 597 C S - 0 0 43 13,-0.1 32,-1.2 -3,-0.1 2,-0.6 -0.998 28.8 -98.4-151.1 148.1 -4.8 -9.4 1.8 42 598 C V E +D 72 0A 23 -2,-0.3 30,-0.2 1,-0.2 3,-0.1 -0.530 37.1 176.7 -69.4 113.5 -4.7 -6.4 4.2 43 599 C Q E - 0 0 78 28,-0.8 2,-0.3 -2,-0.6 -1,-0.2 0.780 65.4 -21.6 -89.0 -28.0 -5.5 -7.8 7.6 44 600 C S E - 0 0 61 27,-0.3 27,-2.2 2,-0.0 -1,-0.3 -0.987 58.7-172.0-169.1 168.4 -5.1 -4.5 9.5 45 601 C S E -D 70 0A 42 -2,-0.3 2,-0.3 25,-0.2 25,-0.2 -0.989 1.8-167.5-164.5 163.3 -3.5 -1.1 9.2 46 602 C W E +D 69 0A 125 23,-1.3 23,-1.2 -2,-0.3 3,-0.0 -0.994 64.6 43.1-155.7 158.6 -2.9 2.1 11.3 47 603 C N S S+ 0 0 96 -2,-0.3 2,-0.2 21,-0.2 15,-0.1 0.729 119.2 24.0 76.3 19.0 -1.7 5.7 10.8 48 604 C A S S- 0 0 22 14,-0.1 2,-0.3 13,-0.1 21,-0.1 -0.837 83.8-102.1 164.2 158.3 -3.9 6.0 7.7 49 605 C A E -G 60 0B 28 11,-1.5 11,-1.8 -2,-0.2 2,-0.3 -0.708 29.9-149.5-101.0 154.4 -7.0 4.5 6.0 50 606 C L E -G 59 0B 36 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.792 6.0-144.0-118.9 164.3 -6.9 2.0 3.2 51 607 C T E +G 58 0B 53 7,-1.1 7,-1.3 -2,-0.3 2,-0.2 -0.803 68.5 3.4-131.1 94.2 -9.3 1.3 0.3 52 608 C G - 0 0 44 -2,-0.4 5,-0.1 5,-0.2 3,-0.1 -0.734 56.9-130.6 126.4-177.4 -9.7 -2.3 -0.7 53 609 C S S S+ 0 0 67 1,-0.2 -1,-0.1 -2,-0.2 2,-0.1 0.115 84.2 24.5-163.2 29.4 -8.3 -5.7 0.6 54 610 C S S S+ 0 0 88 -13,-0.2 2,-0.7 -16,-0.0 -1,-0.2 -0.309 116.8 8.6 164.0 106.4 -6.9 -7.6 -2.4 55 611 C G S S+ 0 0 37 -15,-0.2 -19,-0.9 -2,-0.1 2,-0.5 -0.753 125.7 15.9 115.6 -87.1 -5.6 -6.3 -5.8 56 612 C T E +E 35 0B 86 -2,-0.7 2,-0.7 -21,-0.2 -21,-0.2 -0.885 64.1 178.8-127.3 104.0 -5.4 -2.5 -5.6 57 613 C V E -E 34 0B 0 -23,-1.1 -23,-1.7 -2,-0.5 2,-0.3 -0.875 11.3-164.1-106.4 109.9 -5.5 -0.9 -2.1 58 614 C T E -EG 33 51B 34 -7,-1.3 -7,-1.1 -2,-0.7 -25,-0.2 -0.694 16.8-125.2 -93.0 145.1 -5.2 2.9 -2.2 59 615 C A E - G 0 50B 2 -27,-0.9 -9,-0.2 -2,-0.3 -1,-0.1 -0.349 24.7-155.8 -81.1 167.8 -4.4 4.9 1.0 60 616 C R E - G 0 49B 139 -11,-1.8 -11,-1.5 -29,-0.1 2,-0.3 -0.992 20.2-105.7-145.9 153.0 -6.6 7.8 2.2 61 617 C P + 0 0 70 0, 0.0 -13,-0.1 0, 0.0 -33,-0.1 -0.562 44.8 150.6 -78.1 135.1 -6.2 10.9 4.4 62 618 C N S S- 0 0 106 -2,-0.3 2,-0.2 -15,-0.1 -14,-0.1 0.098 76.4 -29.3-153.5 26.5 -7.8 10.7 7.9 63 619 C G S S- 0 0 63 -16,-0.1 -15,-0.0 2,-0.1 -35,-0.0 -0.608 100.4 -56.5 160.2 -93.2 -5.6 13.0 10.1 64 620 C S S S+ 0 0 110 -2,-0.2 2,-0.5 -37,-0.0 -16,-0.1 0.006 74.8 134.3-178.8 55.3 -1.9 13.6 9.4 65 621 C G + 0 0 16 1,-0.1 -3,-0.1 -18,-0.1 -2,-0.1 -0.946 23.3 178.8-119.4 118.9 0.1 10.4 9.2 66 622 C N S S+ 0 0 46 -2,-0.5 2,-0.6 -42,-0.2 -39,-0.1 0.738 74.2 61.6 -88.0 -23.0 2.6 9.9 6.4 67 623 C S + 0 0 45 -44,-0.2 2,-0.4 -43,-0.1 -44,-0.2 -0.895 65.9 171.1-107.1 121.9 3.9 6.5 7.7 68 624 C F E -C 22 0A 1 -46,-1.3 -46,-1.5 -2,-0.6 2,-0.3 -0.977 23.3-139.1-130.3 142.8 1.3 3.7 7.9 69 625 C G E -CD 21 46A 1 -23,-1.2 -23,-1.3 -2,-0.4 2,-0.4 -0.746 17.7-170.4 -99.5 147.5 1.7 0.0 8.6 70 626 C V E -CD 20 45A 0 -50,-1.5 -50,-1.4 -2,-0.3 2,-0.2 -0.992 14.8-138.5-139.6 133.1 -0.2 -2.7 6.8 71 627 C T E -C 19 0A 2 -27,-2.2 -28,-0.8 -2,-0.4 2,-0.4 -0.599 16.8-162.4 -87.9 150.6 -0.4 -6.4 7.5 72 628 C F E -CD 18 42A 0 -54,-1.9 -54,-1.7 -2,-0.2 2,-0.2 -0.976 15.4-131.7-136.9 125.0 -0.3 -8.9 4.6 73 629 C Y E -C 17 0A 72 -32,-1.2 -56,-0.2 -2,-0.4 -32,-0.1 -0.501 17.7-170.0 -73.3 139.5 -1.4 -12.6 4.7 74 630 C K + 0 0 60 -58,-1.4 -1,-0.1 -2,-0.2 -57,-0.1 0.897 23.6 156.0 -94.3 -67.1 1.2 -15.0 3.3 75 631 C N S S- 0 0 124 -59,-0.6 3,-0.1 1,-0.3 -58,-0.1 0.846 103.4 -18.0 43.9 32.3 -0.6 -18.4 3.0 76 632 C G S S+ 0 0 78 1,-0.3 2,-0.6 -60,-0.2 -1,-0.3 0.496 114.1 119.4 116.8 9.8 2.1 -19.1 0.3 77 633 C S + 0 0 18 1,-0.1 -1,-0.3 -38,-0.1 -2,-0.1 -0.907 21.2 159.7-110.7 116.0 3.1 -15.5 -0.4 78 634 C S + 0 0 111 -2,-0.6 2,-0.3 -4,-0.1 -1,-0.1 0.426 48.8 97.6-111.2 -1.9 6.8 -14.7 0.3 79 635 C A S S- 0 0 50 -5,-0.1 -42,-0.2 -42,-0.1 -2,-0.0 -0.695 71.6-130.2 -89.4 139.0 7.0 -11.6 -1.9 80 636 C T - 0 0 82 -2,-0.3 -2,-0.1 -44,-0.1 -70,-0.0 -0.690 20.1-126.4 -89.4 141.5 6.6 -8.2 -0.2 81 637 C P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 -45,-0.1 -0.217 21.8-146.9 -77.0 170.1 4.1 -5.6 -1.6 82 638 C G - 0 0 32 -47,-0.4 -47,-1.5 -49,-0.1 2,-0.4 -0.984 11.5-121.1-141.3 152.9 5.1 -2.1 -2.6 83 639 C A E -F 34 0B 21 -2,-0.3 2,-0.4 -49,-0.2 -49,-0.2 -0.775 26.3-143.0 -95.7 134.8 3.3 1.4 -2.5 84 640 C T E +F 33 0B 75 -51,-0.7 -51,-0.6 -2,-0.4 -53,-0.1 -0.763 30.2 157.8 -98.4 143.2 3.0 3.2 -5.8 85 641 C a + 0 0 27 -2,-0.4 2,-0.3 -53,-0.2 -79,-0.2 -0.349 35.0 103.5-160.0 68.7 3.4 7.0 -6.1 86 642 C A - 0 0 78 -83,-0.1 2,-0.7 -84,-0.1 -82,-0.0 -0.956 64.1-116.3-146.0 165.1 4.3 8.2 -9.6 87 643 C T 0 0 88 -2,-0.3 -84,-0.1 1,-0.2 -2,-0.0 -0.861 360.0 360.0-109.6 104.9 2.7 9.8 -12.7 88 644 C G 0 0 148 -2,-0.7 -1,-0.2 0, 0.0 0, 0.0 0.337 360.0 360.0 173.6 360.0 2.8 7.5 -15.7