==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-FEB-08 3C7E . 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, . 487 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 59.3 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 . 161 33.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 44 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 6.8 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 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 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 . 5 2 1 3 3 10 1 2 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 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 1 A A 0 0 59 0, 0.0 392,-0.2 0, 0.0 393,-0.1 0.000 360.0 360.0 360.0 122.1 22.7 -22.6 6.2 2 2 A T + 0 0 113 390,-2.0 391,-0.2 365,-0.1 390,-0.1 0.618 360.0 95.3-119.0 -36.1 24.7 -23.3 9.3 3 3 A S - 0 0 31 389,-1.4 2,-0.2 364,-0.2 365,-0.0 -0.252 63.4-142.9 -63.7 145.5 26.8 -20.2 9.8 4 4 A T - 0 0 83 1,-0.1 364,-0.2 363,-0.0 2,-0.2 -0.679 20.4 -98.9-108.1 157.5 25.5 -17.4 12.1 5 5 A T - 0 0 22 -2,-0.2 362,-0.1 362,-0.2 4,-0.1 -0.536 25.2-144.5 -72.2 140.5 25.7 -13.6 11.8 6 6 A I S S- 0 0 24 360,-0.4 -1,-0.1 -2,-0.2 3,-0.1 0.968 77.2 -35.3 -67.4 -57.6 28.5 -12.0 13.9 7 7 A A S S+ 0 0 4 1,-0.2 2,-0.9 8,-0.1 7,-0.1 0.534 122.7 77.5-142.1 -34.4 26.8 -8.8 15.0 8 8 A K S S- 0 0 4 358,-0.1 358,-0.4 5,-0.1 -1,-0.2 -0.845 71.4-161.0 -94.4 102.5 24.5 -7.5 12.2 9 9 A H > - 0 0 80 -2,-0.9 3,-2.8 5,-0.4 5,-0.1 -0.512 30.5 -85.8 -89.7 148.9 21.5 -9.9 12.5 10 10 A I T 3 S+ 0 0 74 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.279 120.2 25.2 -53.8 133.6 19.0 -10.5 9.8 11 11 A G T 3 S+ 0 0 47 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.257 106.3 100.1 92.6 -12.7 16.3 -7.8 10.0 12 12 A N < - 0 0 43 -3,-2.8 -1,-0.3 1,-0.1 332,-0.2 -0.813 56.2-159.4-108.4 151.1 18.7 -5.3 11.7 13 13 A S + 0 0 6 331,-2.3 332,-0.2 330,-0.6 331,-0.2 0.559 53.8 112.0-106.8 -11.4 20.7 -2.5 10.0 14 14 A N + 0 0 1 329,-2.3 -5,-0.4 310,-0.1 2,-0.1 -0.891 67.2 32.6-115.1 144.5 23.5 -2.0 12.6 15 15 A P S S- 0 0 0 0, 0.0 309,-0.3 0, 0.0 3,-0.1 0.766 85.1-139.7 -64.0 161.4 26.4 -2.5 12.4 16 16 A L S S+ 0 0 2 307,-2.5 2,-0.3 1,-0.2 57,-0.1 0.875 84.3 5.1 -58.7 -38.4 26.3 -1.6 8.7 17 17 A I + 0 0 6 306,-0.4 -1,-0.2 3,-0.1 5,-0.1 -0.974 53.1 178.7-141.9 152.1 28.7 -4.4 8.0 18 18 A D + 0 0 2 -2,-0.3 3,-0.1 -10,-0.1 -1,-0.1 0.350 66.4 88.2-136.1 4.8 30.3 -7.2 10.1 19 19 A H S S- 0 0 13 1,-0.1 2,-0.3 -13,-0.0 352,-0.2 0.549 110.6 -3.6 -80.5 -9.4 32.4 -9.2 7.6 20 20 A H S S- 0 0 30 350,-0.1 -1,-0.1 2,-0.0 -3,-0.1 -0.944 84.7 -93.8-162.3 177.8 35.2 -6.7 8.4 21 21 A L - 0 0 0 20,-0.4 301,-0.2 -2,-0.3 2,-0.2 -0.306 26.9-178.5 -93.7 171.2 35.8 -3.6 10.5 22 22 A G - 0 0 0 299,-2.6 2,-0.2 18,-0.1 18,-0.2 -0.702 8.9-169.6-172.0 119.7 35.7 0.1 9.7 23 23 A A E +A 39 0A 0 16,-2.2 16,-2.6 -2,-0.2 40,-0.1 -0.640 59.5 23.6-111.1 166.4 36.4 3.0 12.0 24 24 A D E S- 0 0 15 14,-0.2 -1,-0.2 -2,-0.2 267,-0.1 0.874 80.8-160.4 50.5 56.0 36.0 6.8 12.0 25 25 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.283 18.8 179.2 -75.4 152.0 33.2 6.9 9.4 26 26 A V E -A 37 0A 18 11,-1.5 11,-2.2 278,-0.1 2,-0.4 -0.960 19.7-130.1-141.9 155.9 32.1 9.8 7.3 27 27 A A E -A 36 0A 18 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.889 14.0-170.6-115.5 134.0 29.3 10.0 4.7 28 28 A L E -A 35 0A 10 7,-2.8 7,-3.2 -2,-0.4 2,-0.5 -0.996 13.1-155.7-111.5 130.2 29.2 11.3 1.1 29 29 A T E +A 34 0A 57 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.903 25.6 163.2-103.7 128.4 25.7 11.5 -0.4 30 30 A Y E > -A 33 0A 46 3,-3.0 3,-1.1 -2,-0.5 -2,-0.1 -0.818 56.3 -30.6-156.2 111.7 25.9 11.3 -4.2 31 31 A N T 3 S- 0 0 137 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.881 125.6 -35.3 53.6 50.4 23.4 10.7 -6.9 32 32 A G T 3 S+ 0 0 40 1,-0.2 2,-0.3 36,-0.0 -1,-0.3 0.467 122.2 89.9 89.5 1.1 21.1 8.3 -5.1 33 33 A R E < -A 30 0A 72 -3,-1.1 -3,-3.0 36,-0.1 2,-0.5 -0.937 62.2-143.1-126.7 154.7 23.7 6.6 -3.0 34 34 A V E -AB 29 67A 0 33,-2.8 33,-2.1 -2,-0.3 2,-0.5 -0.967 18.8-161.0-110.4 126.0 25.3 7.1 0.4 35 35 A Y E -AB 28 66A 24 -7,-3.2 -7,-2.8 -2,-0.5 2,-0.5 -0.951 1.2-157.5-109.2 132.7 29.1 6.2 0.5 36 36 A I E -AB 27 65A 0 29,-2.7 29,-2.1 -2,-0.5 2,-0.4 -0.952 4.8-164.0-112.8 123.9 30.7 5.6 3.9 37 37 A Y E +AB 26 64A 0 -11,-2.2 -11,-1.5 -2,-0.5 2,-0.3 -0.899 15.7 179.9-106.3 139.3 34.5 6.1 4.1 38 38 A M E - B 0 63A 0 25,-2.3 25,-2.3 -2,-0.4 -14,-0.2 -0.961 34.7 -99.2-140.1 151.8 36.3 4.6 7.1 39 39 A S E -AB 23 62A 0 -16,-2.6 -16,-2.2 -2,-0.3 2,-1.9 -0.432 51.4-106.6 -59.9 144.4 39.8 4.1 8.8 40 40 A S + 0 0 0 21,-1.1 20,-0.2 60,-0.3 -1,-0.1 -0.412 45.1 179.0 -83.6 63.7 41.1 0.7 8.0 41 41 A D + 0 0 0 -2,-1.9 -20,-0.4 280,-0.1 2,-0.3 -0.462 8.8 169.1 -59.9 135.0 40.7 -1.1 11.3 42 42 A D - 0 0 63 -22,-0.1 16,-0.2 -2,-0.1 14,-0.1 -0.957 41.1 -89.2-151.3 143.3 41.9 -4.7 11.0 43 43 A Y - 0 0 37 -2,-0.3 2,-0.3 11,-0.1 10,-0.1 -0.156 39.4-157.5 -58.0 128.0 42.5 -7.4 13.7 44 44 A E - 0 0 12 8,-0.5 8,-2.2 13,-0.0 2,-0.3 -0.841 8.7-157.6-105.0 153.4 46.0 -7.5 15.0 45 45 A Y B -E 51 0B 129 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.928 17.2-120.9-133.0 146.8 47.5 -10.5 16.6 46 46 A N > - 0 0 71 4,-3.1 3,-2.1 -2,-0.3 6,-0.1 -0.383 49.9 -93.0 -67.6 166.1 50.3 -11.4 19.1 47 47 A S T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.753 126.4 59.4 -53.9 -28.7 53.0 -13.8 17.7 48 48 A N T 3 S- 0 0 122 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.299 121.6-105.4 -86.0 12.3 51.2 -16.8 19.1 49 49 A G S < S+ 0 0 53 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.587 76.3 135.3 76.7 10.6 48.1 -15.9 16.9 50 50 A T - 0 0 69 1,-0.1 -4,-3.1 -4,-0.0 -1,-0.3 -0.700 62.6 -99.5 -88.6 150.1 46.0 -14.6 19.8 51 51 A I B -E 45 0B 40 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.326 41.4-169.5 -63.5 137.0 44.0 -11.4 19.3 52 52 A K - 0 0 77 -8,-2.2 -8,-0.5 -6,-0.1 2,-0.1 -0.811 33.3 -76.5-118.1 174.6 45.6 -8.2 20.8 53 53 A D - 0 0 100 -2,-0.3 266,-0.2 1,-0.1 265,-0.1 -0.386 56.6 -95.4 -67.0 141.7 44.3 -4.7 21.3 54 54 A N + 0 0 18 264,-3.0 -1,-0.1 1,-0.2 -11,-0.1 -0.364 40.7 178.1 -53.7 127.6 44.0 -2.4 18.2 55 55 A S - 0 0 72 -3,-0.1 -1,-0.2 -2,-0.1 264,-0.1 0.294 47.7-114.1-115.1 9.3 47.2 -0.3 18.1 56 56 A F S > S+ 0 0 93 -14,-0.1 3,-1.2 263,-0.1 -2,-0.1 0.615 75.7 133.7 67.1 15.9 46.3 1.5 14.9 57 57 A A T 3 S+ 0 0 64 1,-0.2 -1,-0.1 -15,-0.1 -16,-0.0 0.823 70.8 49.5 -60.4 -34.4 49.2 -0.2 13.1 58 58 A N T 3 S+ 0 0 49 -16,-0.2 2,-2.2 1,-0.1 3,-0.4 0.329 75.0 116.4 -90.6 9.7 47.0 -1.1 10.1 59 59 A L < + 0 0 5 -3,-1.2 41,-2.3 1,-0.2 64,-0.2 -0.360 40.7 102.3 -86.1 65.7 45.5 2.4 9.6 60 60 A N + 0 0 31 -2,-2.2 22,-2.1 39,-0.3 2,-0.3 0.250 70.0 57.2-132.8 4.5 47.0 3.1 6.2 61 61 A R S S- 0 0 49 -3,-0.4 -21,-1.1 19,-0.2 2,-0.5 -0.846 70.7-130.3-128.6 166.0 44.0 2.5 3.9 62 62 A V E -BC 39 79A 0 17,-2.3 17,-3.2 -2,-0.3 2,-0.3 -0.990 20.6-145.9-119.8 120.7 40.5 3.9 3.6 63 63 A F E -BC 38 78A 16 -25,-2.3 -25,-2.3 -2,-0.5 2,-0.4 -0.667 14.9-162.3 -82.2 138.5 37.6 1.4 3.4 64 64 A V E +B 37 0A 2 13,-2.4 12,-2.8 -2,-0.3 13,-0.4 -0.982 16.3 164.1-129.5 127.4 34.6 2.3 1.2 65 65 A I E -BC 36 75A 0 -29,-2.1 -29,-2.7 -2,-0.4 2,-0.3 -0.894 13.4-166.5-128.7 160.9 31.1 0.9 1.2 66 66 A S E -BC 35 74A 0 8,-1.7 8,-3.1 -2,-0.3 2,-0.3 -0.996 6.4-171.9-149.5 158.8 27.9 2.3 -0.3 67 67 A S E -B 34 0A 0 -33,-2.1 -33,-2.8 -2,-0.3 6,-0.1 -0.997 24.6-164.1-146.9 147.1 24.1 1.9 -0.3 68 68 A A S S+ 0 0 27 4,-0.3 5,-0.1 -2,-0.3 -1,-0.1 0.436 101.1 28.9 -95.6 -7.1 21.0 3.1 -2.1 69 69 A D S S- 0 0 4 3,-0.5 280,-1.9 -35,-0.1 281,-0.3 0.418 99.9-114.5-142.2 0.0 18.7 1.8 0.7 70 70 A M S S+ 0 0 3 2,-0.3 276,-0.3 278,-0.2 3,-0.1 0.425 105.6 58.8 80.5 -4.5 20.5 1.8 4.1 71 71 A V S S+ 0 0 4 1,-0.3 2,-0.6 327,-0.1 -1,-0.1 0.674 91.2 60.5-123.5 -49.5 20.4 -2.0 4.4 72 72 A N S S- 0 0 2 326,-0.1 -3,-0.5 290,-0.1 2,-0.5 -0.787 70.6-165.4 -83.9 121.8 22.3 -3.5 1.4 73 73 A W E - D 0 363A 4 290,-2.3 290,-1.9 -2,-0.6 2,-0.5 -0.963 13.0-145.4-114.3 125.8 25.9 -2.3 1.3 74 74 A T E -CD 66 362A 13 -8,-3.1 -8,-1.7 -2,-0.5 2,-0.7 -0.769 18.6-137.0 -79.1 122.9 28.2 -2.7 -1.7 75 75 A D E -C 65 0A 3 286,-2.2 309,-0.3 -2,-0.5 -10,-0.2 -0.799 22.6-179.5 -84.4 118.4 31.8 -3.3 -0.6 76 76 A H E - 0 0 27 -12,-2.8 2,-0.2 -2,-0.7 -11,-0.2 0.289 35.1-138.4-100.1 8.9 34.1 -1.1 -2.7 77 77 A G E - 0 0 5 -13,-0.4 -13,-2.4 2,-0.0 2,-0.4 -0.444 39.7 -31.7 72.0-138.2 37.2 -2.5 -0.9 78 78 A A E -C 63 0A 32 -15,-0.2 -15,-0.2 -2,-0.2 295,-0.0 -0.942 35.8-142.0-132.6 134.0 40.1 -0.3 0.2 79 79 A I E -C 62 0A 8 -17,-3.2 -17,-2.3 -2,-0.4 2,-2.2 -0.885 24.4-137.6 -89.1 121.0 41.9 2.8 -1.1 80 80 A P + 0 0 41 0, 0.0 13,-1.9 0, 0.0 14,-0.3 -0.490 41.3 161.0 -81.1 76.2 45.6 2.3 -0.5 81 81 A V + 0 0 0 -2,-2.2 13,-2.8 11,-0.2 12,-0.3 0.945 47.0 67.8 -68.1 -57.5 46.1 5.9 0.8 82 82 A A B +f 94 0C 1 -22,-2.1 13,-0.2 -3,-0.2 16,-0.2 -0.503 49.2 169.2 -69.7 133.4 49.3 5.8 2.7 83 83 A G + 0 0 12 11,-2.4 3,-0.4 14,-1.0 12,-0.2 0.372 42.7 98.4-124.6 1.7 52.4 5.2 0.6 84 84 A A S > S+ 0 0 21 13,-2.6 3,-1.9 10,-0.5 12,-0.1 -0.369 79.5 25.0 -86.0 168.2 55.4 5.9 3.0 85 85 A N T 3 S- 0 0 161 1,-0.3 -1,-0.2 10,-0.2 11,-0.0 0.803 145.7 -37.1 49.2 38.1 57.4 3.2 4.8 86 86 A G T 3> S- 0 0 54 -3,-0.4 4,-2.3 2,-0.1 2,-0.3 0.174 88.1-138.8 107.4 -16.3 56.5 0.5 2.2 87 87 A A T <4 - 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