==== 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 08-FEB-08 3C7O . 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 . 487 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 58.5 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 . 165 33.9 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 . 37 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 . 4 3 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 1 A A 0 0 95 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.1 5.3 58.8 13.2 2 2 A T + 0 0 68 1,-0.2 388,-0.1 365,-0.1 365,-0.1 -0.264 360.0 73.4-176.0 70.9 4.6 56.9 10.0 3 3 A S S S+ 0 0 63 390,-0.1 2,-0.3 363,-0.1 -1,-0.2 -0.602 91.4 91.4 81.4 -60.5 7.3 57.3 8.6 4 4 A T S S- 0 0 59 364,-0.0 364,-0.2 1,-0.0 2,-0.1 -0.756 79.8-111.1-104.3 150.9 8.1 54.6 11.3 5 5 A T - 0 0 24 -2,-0.3 362,-0.1 362,-0.2 4,-0.1 -0.451 19.6-145.8 -69.7 140.9 8.1 50.8 11.2 6 6 A I S S- 0 0 26 360,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.962 76.0 -36.1 -71.3 -54.8 5.3 49.1 13.3 7 7 A A S S+ 0 0 4 1,-0.2 2,-0.8 8,-0.1 7,-0.1 0.493 123.0 77.1-148.4 -29.4 7.1 45.9 14.4 8 8 A K S S- 0 0 3 358,-0.1 358,-0.4 5,-0.1 -1,-0.2 -0.838 72.6-162.6 -99.0 104.3 9.3 44.7 11.7 9 9 A H > - 0 0 78 -2,-0.8 3,-2.6 5,-0.4 5,-0.1 -0.511 31.9 -79.6-109.5 149.9 12.2 47.1 12.0 10 10 A I T 3 S+ 0 0 76 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.249 119.8 20.1 -55.4 131.4 14.8 47.8 9.3 11 11 A G T 3 S+ 0 0 47 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.258 104.6 101.7 91.0 -9.6 17.4 45.0 9.4 12 12 A N < - 0 0 47 -3,-2.6 -1,-0.3 1,-0.1 332,-0.2 -0.782 56.8-156.3-103.1 153.6 15.1 42.5 11.2 13 13 A S + 0 0 6 331,-1.7 332,-0.2 330,-0.6 331,-0.2 0.438 53.9 112.8-108.7 -5.2 13.3 39.6 9.5 14 14 A N + 0 0 0 329,-2.0 -5,-0.4 -7,-0.1 2,-0.2 -0.957 66.1 31.5-121.7 146.1 10.4 39.1 12.1 15 15 A P S S- 0 0 0 0, 0.0 309,-0.3 0, 0.0 -8,-0.1 0.743 85.4-138.6 -66.3 166.4 7.5 39.5 11.9 16 16 A L S S+ 0 0 2 307,-2.7 2,-0.3 -2,-0.2 57,-0.2 0.874 83.6 6.5 -63.6 -39.7 7.6 38.7 8.2 17 17 A I - 0 0 5 306,-0.4 -1,-0.1 3,-0.1 292,-0.1 -0.947 53.2-179.0-135.9 156.8 5.2 41.5 7.4 18 18 A D + 0 0 2 -2,-0.3 3,-0.1 -10,-0.1 -1,-0.1 0.332 66.8 88.1-139.8 7.6 3.6 44.3 9.5 19 19 A H S S- 0 0 13 1,-0.1 2,-0.3 2,-0.1 352,-0.2 0.499 109.9 -3.8 -86.4 -4.6 1.4 46.1 7.1 20 20 A H S S- 0 0 48 350,-0.1 -1,-0.1 2,-0.0 -3,-0.1 -0.926 84.6 -92.8-174.8-173.6 -1.4 43.6 8.1 21 21 A L - 0 0 5 20,-0.5 301,-0.2 -2,-0.3 2,-0.2 -0.294 27.5-175.6-113.6 175.4 -1.8 40.6 10.3 22 22 A G - 0 0 0 299,-2.9 2,-0.2 -2,-0.1 18,-0.2 -0.583 7.6-171.7-179.5 110.2 -1.6 36.8 9.5 23 23 A A E +A 39 0A 0 16,-2.1 16,-2.2 1,-0.2 40,-0.1 -0.556 59.5 22.9-105.1 171.0 -2.3 33.9 11.8 24 24 A D E S- 0 0 11 14,-0.2 -1,-0.2 -2,-0.2 267,-0.1 0.852 80.7-157.5 45.8 55.1 -1.9 30.1 11.7 25 25 A P E - 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.253 17.8-178.2 -70.2 147.1 0.9 30.1 9.1 26 26 A V E -A 37 0A 19 11,-1.8 11,-2.2 78,-0.1 2,-0.4 -0.964 16.3-136.0-134.7 156.3 1.7 27.1 6.9 27 27 A A E -A 36 0A 17 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.913 14.4-172.1-118.9 141.6 4.5 26.9 4.3 28 28 A L E -A 35 0A 10 7,-2.3 7,-3.0 -2,-0.4 2,-0.5 -0.999 13.3-155.4-121.5 127.5 4.8 25.5 0.7 29 29 A T E +A 34 0A 58 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.913 25.7 166.6-101.4 125.5 8.3 25.3 -0.8 30 30 A Y E > -A 33 0A 43 3,-3.1 3,-1.1 -2,-0.5 -2,-0.1 -0.870 56.5 -32.9-152.9 112.7 8.0 25.4 -4.6 31 31 A N T 3 S- 0 0 139 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.867 126.0 -35.3 46.9 53.2 10.5 26.0 -7.3 32 32 A G T 3 S+ 0 0 38 1,-0.2 2,-0.3 36,-0.0 -1,-0.3 0.491 122.2 87.2 86.4 6.0 12.8 28.4 -5.4 33 33 A R E < -A 30 0A 67 -3,-1.1 -3,-3.1 36,-0.1 2,-0.5 -0.963 63.0-141.2-130.3 150.9 10.1 30.3 -3.4 34 34 A V E -AB 29 67A 0 33,-2.7 33,-2.0 -2,-0.3 2,-0.5 -0.966 17.6-159.3-106.7 128.5 8.5 29.7 -0.0 35 35 A Y E -AB 28 66A 29 -7,-3.0 -7,-2.3 -2,-0.5 2,-0.5 -0.927 1.9-157.3-105.5 130.4 4.8 30.6 0.1 36 36 A I E -AB 27 65A 0 29,-2.9 29,-2.1 -2,-0.5 2,-0.4 -0.948 5.3-163.0-111.5 125.2 3.2 31.3 3.5 37 37 A Y E -AB 26 64A 0 -11,-2.2 -11,-1.8 -2,-0.5 2,-0.3 -0.901 15.5-176.1-110.0 137.8 -0.6 30.8 3.8 38 38 A M E - B 0 63A 0 25,-2.3 25,-2.4 -2,-0.4 -14,-0.2 -0.969 33.6-104.0-140.5 144.5 -2.4 32.4 6.8 39 39 A S E -AB 23 62A 0 -16,-2.2 -16,-2.1 -2,-0.3 2,-2.1 -0.434 49.9-110.1 -56.3 141.8 -5.7 32.7 8.6 40 40 A S - 0 0 0 21,-1.2 20,-0.3 60,-0.3 -1,-0.1 -0.383 40.5-173.5 -84.6 64.9 -7.1 36.2 7.8 41 41 A D + 0 0 2 -2,-2.1 -20,-0.5 280,-0.1 2,-0.3 -0.335 12.5 165.8 -57.0 139.8 -6.7 37.9 11.3 42 42 A D - 0 0 67 -22,-0.1 16,-0.3 -20,-0.0 14,-0.1 -0.944 41.3 -90.9-162.4 132.7 -8.3 41.4 11.1 43 43 A Y - 0 0 39 -2,-0.3 2,-0.4 11,-0.1 10,-0.1 -0.193 32.6-155.6 -60.0 137.7 -9.2 43.7 14.0 44 44 A E E -E 52 0B 16 8,-0.5 8,-2.1 13,-0.0 2,-0.3 -0.886 15.4-160.8-106.2 146.9 -12.7 43.5 15.6 45 45 A Y E -E 51 0B 113 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.915 20.9-114.3-128.9 153.3 -14.1 46.5 17.4 46 46 A N > - 0 0 68 4,-3.2 3,-2.3 -2,-0.3 6,-0.1 -0.347 49.4 -97.7 -68.3 164.4 -16.7 47.4 20.0 47 47 A S T 3 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.797 125.6 60.9 -61.4 -23.9 -19.5 49.7 18.6 48 48 A N T 3 S- 0 0 118 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.362 122.0-105.5 -84.0 6.9 -17.6 52.7 20.0 49 49 A G S < S+ 0 0 52 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.584 76.1 135.4 83.4 9.5 -14.6 51.9 17.8 50 50 A T - 0 0 68 1,-0.1 -4,-3.2 -4,-0.0 -1,-0.3 -0.726 62.3-101.6 -88.1 143.3 -12.4 50.6 20.6 51 51 A I E -E 45 0B 34 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.247 40.5-170.2 -57.9 143.9 -10.4 47.4 19.9 52 52 A K E -E 44 0B 78 -8,-2.1 -8,-0.5 -6,-0.1 3,-0.1 -0.909 34.6 -72.6-130.8 167.8 -11.8 44.1 21.4 53 53 A D - 0 0 99 -2,-0.3 266,-0.2 1,-0.1 2,-0.2 -0.222 56.4 -96.7 -61.8 144.1 -10.4 40.6 21.6 54 54 A N + 0 0 20 264,-2.8 -1,-0.1 1,-0.2 -11,-0.1 -0.424 40.4 175.6 -57.4 124.9 -10.1 38.5 18.5 55 55 A S - 0 0 76 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.206 52.7-111.1-113.7 9.2 -13.2 36.2 18.3 56 56 A F S > S+ 0 0 66 -14,-0.1 3,-1.8 1,-0.1 -16,-0.1 0.572 75.8 137.4 68.4 14.2 -12.1 34.8 14.9 57 57 A A T 3 S+ 0 0 61 1,-0.3 -1,-0.1 -15,-0.1 -3,-0.0 0.778 71.1 48.0 -58.8 -27.9 -15.1 36.6 13.3 58 58 A N T 3 S+ 0 0 43 -16,-0.3 2,-2.1 1,-0.1 3,-0.4 0.326 76.2 113.2 -97.3 7.4 -13.0 37.7 10.3 59 59 A L < + 0 0 3 -3,-1.8 41,-2.5 1,-0.2 64,-0.2 -0.438 40.3 106.7 -85.3 68.8 -11.4 34.3 9.6 60 60 A N + 0 0 30 -2,-2.1 22,-1.9 39,-0.3 2,-0.3 0.212 69.4 52.9-129.8 7.2 -13.0 33.8 6.2 61 61 A R S S- 0 0 46 -3,-0.4 -21,-1.2 19,-0.2 2,-0.5 -0.866 71.2-128.8-132.6 170.7 -10.1 34.4 3.8 62 62 A V E -BC 39 79A 0 17,-2.1 17,-3.1 -2,-0.3 2,-0.3 -0.993 19.6-149.6-124.5 122.9 -6.6 33.0 3.4 63 63 A F E -BC 38 78A 20 -25,-2.4 -25,-2.3 -2,-0.5 2,-0.4 -0.692 14.7-163.3 -87.9 142.6 -3.8 35.6 3.1 64 64 A V E +B 37 0A 2 13,-2.2 12,-2.4 -2,-0.3 13,-0.4 -0.993 14.7 167.9-133.7 130.9 -0.7 34.5 1.0 65 65 A I E -BC 36 75A 0 -29,-2.1 -29,-2.9 -2,-0.4 2,-0.3 -0.906 12.0-164.1-129.2 161.9 2.8 35.9 0.8 66 66 A S E -BC 35 74A 0 8,-1.9 8,-3.3 -2,-0.3 2,-0.3 -0.988 7.0-176.1-147.5 159.2 5.9 34.6 -0.8 67 67 A S E -B 34 0A 0 -33,-2.0 -33,-2.7 -2,-0.3 6,-0.1 -0.996 24.7-163.8-150.5 145.6 9.7 35.0 -0.8 68 68 A A S S+ 0 0 25 4,-0.4 5,-0.1 -2,-0.3 -1,-0.1 0.479 101.0 30.3 -96.4 -7.9 12.9 33.7 -2.5 69 69 A D S S- 0 0 8 3,-0.5 280,-2.2 -35,-0.1 281,-0.3 0.433 99.6-116.3-137.5 -2.1 15.1 35.1 0.2 70 70 A M S S+ 0 0 3 2,-0.3 276,-0.3 278,-0.2 3,-0.1 0.389 104.5 58.9 82.4 -1.1 13.3 35.2 3.6 71 71 A V S S+ 0 0 4 1,-0.3 2,-0.6 327,-0.1 -1,-0.1 0.678 91.8 59.6-125.6 -49.4 13.4 39.0 3.9 72 72 A N S S- 0 0 2 326,-0.1 -3,-0.5 290,-0.1 2,-0.5 -0.811 71.3-165.3 -88.1 122.8 11.6 40.5 0.9 73 73 A W E - D 0 363A 3 290,-2.6 290,-1.9 -2,-0.6 2,-0.5 -0.948 13.5-145.0-117.7 130.4 8.0 39.3 0.8 74 74 A T E -CD 66 362A 14 -8,-3.3 -8,-1.9 -2,-0.5 2,-0.7 -0.775 18.4-136.8 -87.6 125.3 5.6 39.5 -2.1 75 75 A D E -C 65 0A 5 286,-2.0 309,-0.3 -2,-0.5 -10,-0.2 -0.796 22.2-179.5 -85.5 117.1 2.0 40.2 -1.0 76 76 A H E - 0 0 23 -12,-2.4 -11,-0.2 -2,-0.7 -1,-0.1 0.288 36.1-136.3 -99.3 6.3 -0.3 37.9 -3.0 77 77 A G E - 0 0 7 -13,-0.4 -13,-2.2 2,-0.0 2,-0.4 -0.396 38.9 -33.9 78.4-150.8 -3.4 39.3 -1.3 78 78 A A E -C 63 0A 34 -15,-0.2 -15,-0.2 -3,-0.1 295,-0.0 -0.895 36.9-144.2-119.7 138.3 -6.4 37.2 -0.0 79 79 A I E -C 62 0A 8 -17,-3.1 2,-2.2 -2,-0.4 -17,-2.1 -0.907 23.0-136.8 -93.6 122.7 -8.1 34.1 -1.3 80 80 A P + 0 0 32 0, 0.0 13,-2.3 0, 0.0 14,-0.2 -0.457 41.8 160.1 -80.4 72.1 -11.8 34.5 -0.6 81 81 A V + 0 0 0 -2,-2.2 13,-3.2 11,-0.2 2,-0.2 0.929 47.5 70.2 -63.5 -52.8 -12.2 30.9 0.7 82 82 A A B +f 94 0C 0 -22,-1.9 16,-0.2 -3,-0.2 13,-0.2 -0.480 48.2 166.1 -75.5 132.8 -15.4 31.2 2.7 83 83 A G + 0 0 11 11,-2.2 3,-0.5 14,-1.2 12,-0.2 0.435 40.8 99.8-125.7 -3.3 -18.6 31.6 0.8 84 84 A A S > S+ 0 0 19 13,-2.4 3,-1.7 10,-0.5 12,-0.1 -0.500 79.6 26.8 -81.7 157.7 -21.5 30.9 3.2 85 85 A N T 3 S- 0 0 155 1,-0.3 -1,-0.2 10,-0.2 3,-0.1 0.814 132.4 -67.2 63.1 33.4 -23.5 33.6 4.9 86 86 A G T >> S+ 0 0 54 -3,-0.5 3,-1.0 1,-0.2 4,-0.7 0.507 86.7 171.3 63.2 6.7 -22.8 36.1 2.1 87 87 A A G X4> + 0 0 17 -3,-1.7 5,-0.8 1,-0.2 3,-0.8 -0.084 61.0 18.6 -47.4 140.1 -19.1 36.0 3.2 88 88 A N G >45S- 0 0 20 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.774 128.2 -74.5 64.4 28.6 -16.7 37.7 0.9 89 89 A G G <45S- 0 0 61 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.788 91.1 -53.3 61.0 34.4 -19.5 39.7 -0.8 90 90 A G G <<5S+ 0 0 50 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.1 0.450 126.1 94.8 82.1 1.6 -20.8 36.8 -2.8 91 91 A R T < 5 + 0 0 167 -3,-1.8 -3,-0.1 -5,-0.2 -2,-0.1 0.326 49.2 127.4-108.9 7.9 -17.4 36.0 -4.3 92 92 A G < - 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