==== 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 HYDROLASE 07-FEB-08 3C7G . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR E.VANDERMARLIERE,T.M.BOURGOIS,M.D.WINN,S.VAN CAMPENHOUT,G.VO . 488 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 34.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 48 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 2 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 4 1 3 3 9 1 3 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 1 2 2 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 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 0 A S 0 0 74 0, 0.0 2,-0.7 0, 0.0 430,-0.1 0.000 360.0 360.0 360.0 -31.8 11.5 62.4 4.2 2 1 A A + 0 0 28 428,-0.3 392,-0.2 1,-0.2 391,-0.1 -0.830 360.0 150.0 -92.2 108.6 10.9 58.9 5.7 3 2 A T + 0 0 110 390,-1.1 391,-0.2 -2,-0.7 -1,-0.2 0.745 32.6 101.0-112.7 -27.3 9.1 59.4 9.0 4 3 A S - 0 0 29 389,-1.7 2,-0.2 364,-0.3 389,-0.0 -0.268 60.9-138.0 -67.0 146.0 6.9 56.2 9.7 5 4 A T - 0 0 87 1,-0.1 2,-0.2 364,-0.0 364,-0.2 -0.625 20.9-101.2-102.8 158.6 8.1 53.6 12.1 6 5 A T - 0 0 23 -2,-0.2 362,-0.1 1,-0.1 4,-0.1 -0.571 24.6-144.0 -73.8 141.6 8.0 49.8 11.8 7 6 A I S S- 0 0 24 360,-0.4 -1,-0.1 -2,-0.2 3,-0.1 0.965 77.0 -36.3 -68.7 -53.4 5.3 48.2 13.8 8 7 A A S S+ 0 0 3 1,-0.2 2,-1.2 8,-0.1 7,-0.1 0.515 123.1 77.5-149.1 -36.5 7.1 45.0 14.9 9 8 A K S S- 0 0 3 358,-0.1 358,-0.4 5,-0.1 -2,-0.2 -0.768 72.4-163.0 -88.3 94.9 9.3 43.8 12.1 10 9 A H > - 0 0 80 -2,-1.2 3,-2.9 5,-0.4 5,-0.1 -0.445 31.7 -82.2 -83.1 152.0 12.2 46.2 12.6 11 10 A I T 3 S+ 0 0 74 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.255 121.2 24.1 -53.6 130.6 14.8 46.9 9.9 12 11 A G T 3 S+ 0 0 45 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.176 104.9 102.1 96.1 -18.2 17.4 44.2 10.1 13 12 A N < - 0 0 43 -3,-2.9 -1,-0.3 1,-0.1 332,-0.2 -0.762 55.0-161.0-102.2 150.6 15.0 41.7 11.8 14 13 A S + 0 0 5 331,-2.1 332,-0.2 330,-0.5 331,-0.2 0.532 53.9 113.8-107.4 -12.6 13.2 38.9 10.0 15 14 A N + 0 0 0 329,-2.4 -5,-0.4 310,-0.1 2,-0.1 -0.902 67.8 30.0-113.6 146.3 10.4 38.3 12.5 16 15 A P S S- 0 0 0 0, 0.0 309,-0.3 0, 0.0 -8,-0.1 0.772 86.5-139.1 -64.8 161.2 7.6 38.7 12.3 17 16 A L S S+ 0 0 2 307,-2.5 2,-0.3 -2,-0.1 57,-0.2 0.850 85.8 8.2 -56.1 -39.6 7.8 37.9 8.5 18 17 A I + 0 0 5 306,-0.4 -1,-0.1 3,-0.1 5,-0.1 -0.953 54.7 179.2-136.7 153.3 5.3 40.7 7.8 19 18 A D + 0 0 3 -2,-0.3 3,-0.1 -10,-0.1 350,-0.1 0.261 67.6 85.6-138.4 10.8 3.8 43.4 10.0 20 19 A H S S+ 0 0 12 1,-0.2 2,-0.3 2,-0.0 352,-0.2 0.644 110.4 0.6 -99.0 -5.6 1.6 45.3 7.6 21 20 A H S S- 0 0 42 350,-0.1 -1,-0.2 2,-0.0 -3,-0.1 -0.934 83.7 -98.0-144.5-161.9 -1.0 42.8 8.3 22 21 A L + 0 0 5 20,-0.4 301,-0.2 -2,-0.3 2,-0.2 -0.285 26.2 178.3 -96.1 173.8 -1.6 39.7 10.4 23 22 A G - 0 0 0 299,-2.8 2,-0.2 18,-0.1 18,-0.2 -0.602 7.4-171.7-178.6 119.6 -1.5 36.1 9.7 24 23 A A E +A 40 0A 0 16,-2.1 16,-2.4 1,-0.2 79,-0.1 -0.624 61.1 27.8-111.0 169.3 -2.0 33.2 12.0 25 24 A D E S- 0 0 9 14,-0.2 -1,-0.2 -2,-0.2 267,-0.1 0.887 80.9-158.6 53.5 51.5 -1.6 29.4 11.9 26 25 A P E - 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.282 18.0-179.4 -71.4 148.5 1.2 29.5 9.3 27 26 A V E -A 38 0A 19 11,-1.7 11,-2.5 278,-0.1 2,-0.4 -0.966 17.5-134.4-137.0 153.7 2.1 26.6 7.0 28 27 A A E -A 37 0A 18 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.904 13.7-170.5-116.9 137.9 4.9 26.4 4.4 29 28 A L E -A 36 0A 10 7,-2.6 7,-3.0 -2,-0.4 2,-0.6 -0.991 11.9-156.7-114.3 130.1 5.1 25.2 0.8 30 29 A T E +A 35 0A 59 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.942 27.1 161.8-106.9 124.3 8.6 25.0 -0.7 31 30 A Y E > -A 34 0A 43 3,-3.1 3,-1.3 -2,-0.6 -2,-0.1 -0.910 57.2 -25.9-153.8 118.9 8.3 25.2 -4.5 32 31 A N T 3 S- 0 0 136 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.854 128.0 -37.9 47.0 49.8 10.7 25.9 -7.3 33 32 A G T 3 S+ 0 0 39 1,-0.2 2,-0.3 36,-0.0 -1,-0.3 0.517 121.5 91.6 82.9 9.3 13.0 28.1 -5.3 34 33 A R E < -A 31 0A 64 -3,-1.3 -3,-3.1 36,-0.1 2,-0.6 -0.947 62.7-140.1-130.8 151.4 10.4 29.9 -3.1 35 34 A V E -AB 30 68A 0 33,-2.6 33,-2.2 -2,-0.3 2,-0.5 -0.979 21.0-157.1-103.6 118.6 8.8 29.2 0.4 36 35 A Y E -AB 29 67A 23 -7,-3.0 -7,-2.6 -2,-0.6 2,-0.5 -0.880 1.2-157.5 -81.0 129.7 5.1 30.0 0.4 37 36 A I E -AB 28 66A 0 29,-3.0 29,-2.4 -2,-0.5 2,-0.4 -0.950 6.6-167.7-110.2 124.4 3.5 30.8 3.7 38 37 A Y E -AB 27 65A 0 -11,-2.5 -11,-1.7 -2,-0.5 2,-0.3 -0.906 15.3-178.5-111.8 138.5 -0.2 30.3 3.9 39 38 A M E - B 0 64A 0 25,-2.3 25,-2.3 -2,-0.4 -14,-0.2 -0.972 35.6-100.2-141.8 147.7 -2.0 31.7 6.9 40 39 A S E -AB 24 63A 0 -16,-2.4 -16,-2.1 -2,-0.3 2,-2.1 -0.455 50.4-111.4 -55.1 138.0 -5.4 32.0 8.7 41 40 A S - 0 0 0 21,-1.2 20,-0.3 60,-0.3 -1,-0.1 -0.431 39.4-172.0 -84.0 66.1 -6.6 35.6 7.9 42 41 A D + 0 0 1 -2,-2.1 -20,-0.4 280,-0.1 2,-0.3 -0.377 14.2 166.0 -56.4 139.0 -6.3 37.1 11.3 43 42 A D - 0 0 62 -22,-0.1 16,-0.3 -20,-0.0 14,-0.1 -0.930 40.7 -92.5-165.2 130.1 -8.0 40.5 11.1 44 43 A Y - 0 0 35 -2,-0.3 2,-0.3 11,-0.1 10,-0.1 -0.226 30.3-149.9 -61.0 135.3 -9.1 42.8 14.0 45 44 A E E -E 53 0B 13 8,-0.6 8,-2.1 13,-0.0 2,-0.4 -0.796 18.5-153.4 -96.1 150.0 -12.6 42.6 15.3 46 45 A Y E -E 52 0B 127 -2,-0.3 6,-0.2 6,-0.3 2,-0.1 -0.939 15.0-124.6-129.3 144.8 -14.0 45.8 16.7 47 46 A N > - 0 0 67 4,-3.1 3,-2.4 -2,-0.4 6,-0.1 -0.424 47.7 -97.2 -70.3 162.9 -16.5 46.8 19.3 48 47 A S T 3 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.750 124.9 60.2 -58.7 -24.3 -19.2 49.1 17.9 49 48 A N T 3 S- 0 0 118 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.356 121.9-104.4 -87.0 6.7 -17.3 52.1 19.3 50 49 A G S < S+ 0 0 49 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.528 78.8 130.2 89.1 6.1 -14.3 51.2 17.1 51 50 A T - 0 0 71 1,-0.1 -4,-3.1 0, 0.0 -1,-0.3 -0.597 63.7-102.9 -89.7 157.5 -12.1 49.8 19.9 52 51 A I E -E 46 0B 23 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.3 -0.563 34.0-161.5 -81.2 138.5 -10.5 46.4 19.3 53 52 A K E -E 45 0B 87 -8,-2.1 -8,-0.6 -2,-0.2 3,-0.1 -0.767 36.6 -75.7-109.3 168.3 -11.9 43.4 21.0 54 53 A D - 0 0 103 -2,-0.3 2,-0.2 1,-0.1 266,-0.2 -0.236 58.9 -92.6 -58.4 145.5 -10.2 40.0 21.5 55 54 A N + 0 0 20 264,-3.2 -1,-0.1 1,-0.2 -11,-0.1 -0.418 43.8 172.4 -57.7 124.8 -9.9 37.8 18.5 56 55 A S - 0 0 75 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.252 55.5-110.1-114.4 8.5 -12.9 35.4 18.4 57 56 A F S > S+ 0 0 62 -14,-0.1 3,-1.6 263,-0.1 -2,-0.1 0.585 75.1 138.7 72.1 14.8 -11.8 34.1 14.9 58 57 A A T 3 + 0 0 63 1,-0.3 -14,-0.1 -15,-0.1 -1,-0.1 0.792 69.6 48.5 -58.1 -28.2 -14.7 35.8 13.2 59 58 A N T 3 S+ 0 0 43 -16,-0.3 2,-1.9 1,-0.1 3,-0.4 0.309 74.4 112.6 -99.3 10.5 -12.6 37.0 10.3 60 59 A L < + 0 0 4 -3,-1.6 41,-2.7 1,-0.2 64,-0.2 -0.464 39.8 108.1 -87.9 66.9 -10.9 33.6 9.5 61 60 A N + 0 0 34 -2,-1.9 22,-2.1 39,-0.3 2,-0.3 0.234 69.6 56.1-123.7 5.5 -12.6 33.1 6.1 62 61 A R S S- 0 0 46 -3,-0.4 -21,-1.2 20,-0.2 2,-0.5 -0.845 71.9-131.8-128.6 167.7 -9.5 33.8 3.8 63 62 A V E -BC 40 80A 0 17,-1.8 17,-3.4 -2,-0.3 2,-0.3 -0.997 20.7-146.7-122.1 120.5 -6.1 32.3 3.5 64 63 A F E -BC 39 79A 18 -25,-2.3 -25,-2.3 -2,-0.5 2,-0.4 -0.664 15.4-162.6 -83.3 138.4 -3.3 34.9 3.3 65 64 A V E +B 38 0A 1 13,-2.5 12,-2.7 -2,-0.3 13,-0.4 -0.986 16.1 166.0-131.3 127.1 -0.4 33.9 1.1 66 65 A I E -BC 37 76A 0 -29,-2.4 -29,-3.0 -2,-0.4 2,-0.3 -0.891 12.6-165.9-126.7 160.8 3.1 35.4 1.1 67 66 A S E -BC 36 75A 0 8,-1.8 8,-3.2 -2,-0.3 2,-0.3 -0.990 5.3-173.1-145.8 158.1 6.3 34.0 -0.6 68 67 A S E -B 35 0A 0 -33,-2.2 -33,-2.6 -2,-0.3 6,-0.1 -0.997 25.7-163.3-148.8 145.5 10.0 34.5 -0.5 69 68 A A S S+ 0 0 25 4,-0.4 -1,-0.1 -2,-0.3 5,-0.1 0.524 101.6 29.7 -91.6 -10.8 13.1 33.3 -2.3 70 69 A D S S- 0 0 4 3,-0.5 280,-2.4 -35,-0.1 281,-0.3 0.414 99.3-115.0-137.5 0.1 15.3 34.7 0.6 71 70 A M S S+ 0 0 2 2,-0.3 276,-0.3 278,-0.2 3,-0.1 0.381 107.0 57.2 79.8 -2.2 13.4 34.6 4.0 72 71 A V S S+ 0 0 3 1,-0.3 2,-0.6 327,-0.1 -1,-0.1 0.684 91.2 61.6-126.8 -48.5 13.5 38.4 4.3 73 72 A N S S- 0 0 2 326,-0.1 2,-0.5 290,-0.1 -3,-0.5 -0.802 70.5-164.1 -87.2 119.5 11.7 39.9 1.3 74 73 A W E - D 0 364A 3 290,-2.6 290,-2.1 -2,-0.6 2,-0.5 -0.934 12.0-148.2-112.0 122.8 8.1 38.7 1.2 75 74 A T E -CD 67 363A 12 -8,-3.2 -8,-1.8 -2,-0.5 2,-0.7 -0.783 19.7-136.5 -80.3 125.5 5.9 39.0 -1.9 76 75 A D E -C 66 0A 4 286,-2.3 309,-0.3 -2,-0.5 -10,-0.2 -0.790 22.7-178.5 -88.6 117.3 2.4 39.5 -0.8 77 76 A H E - 0 0 21 -12,-2.7 -11,-0.2 -2,-0.7 -1,-0.1 0.343 36.6-137.1 -96.9 5.3 0.1 37.3 -2.9 78 77 A G E - 0 0 7 -13,-0.4 -13,-2.5 2,-0.0 2,-0.4 -0.448 39.1 -32.6 82.3-147.4 -2.9 38.6 -1.1 79 78 A A E -C 64 0A 31 -15,-0.2 -15,-0.2 -2,-0.1 295,-0.0 -0.915 37.3-143.2-122.7 135.0 -5.9 36.6 0.1 80 79 A I E -C 63 0A 7 -17,-3.4 2,-2.6 -2,-0.4 -17,-1.8 -0.882 22.8-137.5 -88.1 121.6 -7.5 33.5 -1.2 81 80 A P + 0 0 32 0, 0.0 13,-2.4 0, 0.0 14,-0.3 -0.419 43.1 158.7 -79.0 71.4 -11.3 33.9 -0.6 82 81 A V + 0 0 0 -2,-2.6 13,-3.3 11,-0.3 2,-0.2 0.958 48.1 68.9 -62.5 -54.6 -11.6 30.3 0.6 83 82 A A B +f 95 0C 1 -22,-2.1 13,-0.2 -3,-0.3 16,-0.2 -0.491 49.6 167.5 -74.8 131.3 -14.8 30.5 2.7 84 83 A G + 0 0 7 11,-2.4 3,-0.4 14,-0.9 12,-0.2 0.428 43.5 98.5-122.3 -2.5 -17.9 31.1 0.6 85 84 A A S S+ 0 0 20 13,-2.6 3,-0.2 10,-0.5 12,-0.1 -0.604 77.4 30.3 -86.6 147.7 -20.8 30.4 3.1 86 85 A N S S- 0 0 160 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.775 124.9-108.6 67.5 32.6 -22.7 33.1 5.0 87 86 A G S S+ 0 0 49 -3,-0.4 -1,-0.3 9,-0.1 2,-0.2 -0.867 78.2 97.7-175.0 54.9 -21.8 34.3 2.3 88 87 A A + 0 0 47 -3,-0.2 -1,-0.0 2,-0.2 0, 0.0 -0.070 25.5 130.7 68.7 119.7 -19.5 36.5 1.9 89 88 A N S > S- 0 0 17 -2,-0.2 3,-1.7 -5,-0.1 -2,-0.1 -0.510 114.1 -86.6 -6.2 48.1 -16.3 36.8 1.1 90 89 A G T 3 S- 0 0 59 1,-0.3 -2,-0.2 2,-0.1 -6,-0.1 0.799 85.0 -44.7 47.0 40.4 -18.9 39.0 -0.7 91 90 A G T 3 S+ 0 0 45 -7,-0.1 -1,-0.3 1,-0.0 -3,-0.1 0.160 128.6 86.8 123.3 -41.0 -19.8 36.6 -3.4 92 91 A R < + 0 0 169 -3,-1.7 -2,-0.1 -9,-0.1 -8,-0.1 0.196 49.2 120.8-119.0 -12.1 -16.5 35.6 -4.1 93 92 A G - 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