==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-OCT-01 1GOR . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOASCUS AURANTIACUS; . AUTHOR L.LO LEGGIO,S.LARSEN . 302 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11041.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 3 0 1 1 1 0 1 0 3 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 2 3 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 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 1 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 X 0 0 84 0, 0.0 2,-0.3 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 140.4 9.5 2.8 27.4 2 2 A A - 0 0 12 33,-0.2 287,-0.0 2,-0.1 0, 0.0 -0.627 360.0-129.3 -85.0 142.8 6.8 1.5 29.7 3 3 A A S S+ 0 0 101 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.896 96.7 60.0 -57.7 -41.9 7.6 -1.2 32.1 4 4 A Q S S- 0 0 82 4,-0.0 2,-0.6 -3,-0.0 -2,-0.1 -0.794 81.6-142.5 -94.2 127.1 4.6 -3.3 30.9 5 5 A S > - 0 0 17 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.784 6.5-158.9 -92.2 120.7 4.6 -4.3 27.3 6 6 A V H > S+ 0 0 0 -2,-0.6 4,-2.1 33,-0.4 5,-0.2 0.792 96.3 53.7 -66.5 -27.3 1.1 -4.2 25.6 7 7 A D H > S+ 0 0 14 32,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.914 108.8 47.1 -72.2 -44.6 2.5 -6.6 22.9 8 8 A Q H > S+ 0 0 93 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.920 115.6 46.8 -61.5 -43.4 3.7 -9.1 25.5 9 9 A L H X S+ 0 0 14 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.874 111.9 48.0 -68.8 -37.9 0.4 -8.9 27.3 10 10 A I H ><>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 3,-0.6 0.874 109.6 54.2 -72.1 -31.9 -1.7 -9.2 24.2 11 11 A K H ><5S+ 0 0 88 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.879 105.0 54.4 -65.5 -35.1 0.4 -12.2 23.1 12 12 A A H 3<5S+ 0 0 74 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.716 103.5 56.1 -70.1 -19.9 -0.4 -13.7 26.5 13 13 A R T <<5S- 0 0 119 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.420 129.2 -97.8 -89.8 -0.5 -4.1 -13.2 25.7 14 14 A G T < 5S+ 0 0 65 -3,-1.4 -3,-0.2 1,-0.3 2,-0.1 0.495 82.3 125.8 100.4 4.1 -3.6 -15.3 22.5 15 15 A K < - 0 0 25 -5,-2.3 -1,-0.3 -8,-0.1 248,-0.2 -0.454 62.0-124.8 -92.1 168.9 -3.2 -12.6 19.9 16 16 A V S S- 0 0 52 246,-2.6 2,-0.3 1,-0.2 247,-0.2 0.883 73.3 -28.0 -80.9 -39.9 -0.3 -12.2 17.4 17 17 A Y E -a 263 0A 0 245,-1.2 247,-1.5 -7,-0.1 2,-0.4 -0.997 31.5-142.3-168.9 167.7 0.9 -8.6 18.2 18 18 A F E +a 264 0A 0 -2,-0.3 23,-2.1 245,-0.2 24,-0.5 -0.955 46.1 159.4-139.2 113.3 0.3 -5.1 19.3 19 19 A G E -a 265 0A 0 245,-3.1 247,-2.9 -2,-0.4 2,-0.3 -0.622 28.9-133.1-129.2-170.5 2.3 -2.7 17.1 20 20 A V E -ab 266 43A 0 22,-2.0 24,-1.4 245,-0.3 2,-0.2 -0.968 24.6-106.2-145.9 159.4 2.8 0.8 15.9 21 21 A A E + b 0 44A 2 245,-1.8 2,-0.3 -2,-0.3 248,-0.1 -0.614 54.0 140.6 -83.1 145.4 3.4 2.8 12.7 22 22 A T E - b 0 45A 1 22,-2.3 24,-2.8 -2,-0.2 25,-0.3 -0.931 25.1-170.9-166.0-174.1 7.0 4.2 12.3 23 23 A D >> - 0 0 12 -2,-0.3 4,-2.5 22,-0.2 3,-1.5 -0.951 51.0 -70.7-177.4 174.5 9.8 4.9 9.9 24 24 A Q H 3> S+ 0 0 85 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.863 123.6 60.6 -49.0 -45.7 13.5 6.0 9.9 25 25 A N H 34 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.2 40,-0.0 0.793 114.3 36.3 -57.2 -28.7 12.7 9.6 10.8 26 26 A R H X4 S+ 0 0 57 -3,-1.5 3,-1.9 2,-0.1 6,-0.4 0.880 112.8 55.3 -89.5 -45.8 11.2 8.3 14.1 27 27 A L H 3< S+ 0 0 12 -4,-2.5 6,-0.3 1,-0.3 -2,-0.2 0.742 107.3 53.0 -60.0 -23.9 13.5 5.4 14.9 28 28 A T T 3< S+ 0 0 78 -4,-1.9 2,-0.3 -5,-0.3 -1,-0.3 0.420 110.0 51.9 -93.1 1.0 16.5 7.8 14.7 29 29 A T S X S- 0 0 69 -3,-1.9 3,-1.1 -5,-0.1 4,-0.5 -0.871 99.3 -10.2-134.7 167.8 15.1 10.4 17.1 30 30 A G T 3 S- 0 0 62 -2,-0.3 4,-0.2 1,-0.2 3,-0.2 -0.041 106.9 -48.8 46.7-143.8 13.7 10.7 20.6 31 31 A K T 3> S+ 0 0 104 1,-0.1 4,-2.6 2,-0.1 -1,-0.2 0.147 99.3 114.8-110.0 18.2 12.8 7.5 22.4 32 32 A N H <> S+ 0 0 2 -3,-1.1 4,-2.7 -6,-0.4 5,-0.2 0.917 76.5 47.4 -54.7 -50.8 10.8 5.8 19.6 33 33 A A H > S+ 0 0 23 -4,-0.5 4,-2.9 -7,-0.4 -1,-0.2 0.937 114.2 46.7 -58.3 -49.7 13.2 2.9 19.0 34 34 A A H > S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 113.2 49.2 -60.7 -42.4 13.5 2.1 22.7 35 35 A I H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.4 0.927 113.6 45.8 -64.1 -44.8 9.7 2.3 23.2 36 36 A I H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.926 111.5 52.0 -64.6 -44.5 9.1 0.0 20.2 37 37 A Q H < S+ 0 0 92 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.883 120.8 34.1 -58.9 -39.0 11.7 -2.5 21.2 38 38 A A H < S+ 0 0 48 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.859 130.4 24.3 -87.4 -38.7 10.2 -2.7 24.7 39 39 A D H < S+ 0 0 1 -4,-3.2 -32,-1.5 -5,-0.2 -33,-0.4 0.553 112.0 54.8-108.8 -8.6 6.5 -2.4 24.3 40 40 A F < - 0 0 3 -4,-1.8 -21,-0.2 -5,-0.4 3,-0.1 -0.905 45.2-168.1-128.6 155.5 5.6 -3.4 20.7 41 41 A G S S+ 0 0 4 -23,-2.1 38,-2.8 -2,-0.3 2,-0.3 0.265 72.3 46.4-123.9 12.1 6.1 -6.4 18.6 42 42 A Q E - c 0 79A 0 -24,-0.5 -22,-2.0 36,-0.3 2,-0.3 -0.994 57.3-163.6-153.8 149.9 5.1 -5.2 15.1 43 43 A V E -bc 20 80A 0 36,-2.5 38,-1.9 -2,-0.3 -22,-0.2 -0.987 5.8-161.3-138.6 146.9 5.7 -2.2 12.9 44 44 A T E -b 21 0A 0 -24,-1.4 -22,-2.3 -2,-0.3 2,-0.4 -0.995 34.0-114.1-124.7 129.7 4.0 -0.7 9.8 45 45 A P E -b 22 0A 0 0, 0.0 -22,-0.2 0, 0.0 4,-0.2 -0.526 21.8-151.9 -66.2 120.6 6.0 1.8 7.6 46 46 A E S S- 0 0 16 -24,-2.8 -23,-0.1 -2,-0.4 -25,-0.0 0.847 81.1 -22.1 -63.4 -33.5 4.1 5.1 8.0 47 47 A N S > S+ 0 0 61 -25,-0.3 3,-2.0 3,-0.1 6,-0.3 0.524 111.7 92.4-147.7 -28.0 5.2 6.3 4.6 48 48 A S T 3 S+ 0 0 15 1,-0.3 18,-0.5 17,-0.1 17,-0.1 0.594 92.0 46.0 -55.7 -18.0 8.3 4.6 3.3 49 49 A M T 3 S+ 0 0 1 34,-0.3 -1,-0.3 -4,-0.2 2,-0.1 0.285 86.3 111.8-109.6 10.0 6.5 1.8 1.4 50 50 A K S <> S- 0 0 13 -3,-2.0 4,-2.3 1,-0.1 3,-0.4 -0.340 81.6-104.2 -78.1 165.9 3.9 3.9 -0.4 51 51 A W H > S+ 0 0 6 33,-0.4 4,-2.7 38,-0.2 40,-0.2 0.897 116.5 54.3 -59.3 -45.4 4.0 4.4 -4.1 52 52 A D H 4 S+ 0 0 58 38,-1.7 -1,-0.2 1,-0.2 39,-0.1 0.844 115.0 41.4 -61.0 -31.2 5.3 7.9 -4.2 53 53 A A H 4 S+ 0 0 37 -3,-0.4 -1,-0.2 -6,-0.3 -2,-0.2 0.884 121.4 38.8 -82.0 -40.7 8.3 6.9 -2.1 54 54 A T H < S+ 0 0 0 -4,-2.3 8,-2.1 1,-0.2 -2,-0.2 0.772 130.2 21.2 -83.9 -30.5 9.1 3.5 -3.7 55 55 A E < + 0 0 1 -4,-2.7 -1,-0.2 6,-0.2 6,-0.2 -0.488 64.2 157.0-139.8 67.2 8.5 4.3 -7.4 56 56 A P S S+ 0 0 68 0, 0.0 2,-0.4 0, 0.0 38,-0.3 0.809 81.2 28.4 -58.1 -35.4 8.7 8.1 -7.9 57 57 A S B > S-J 60 0B 63 3,-0.8 3,-2.4 -3,-0.1 0, 0.0 -0.979 109.6 -89.8-128.4 139.7 9.5 7.5 -11.5 58 58 A Q T 3 S+ 0 0 104 -2,-0.4 3,-0.0 1,-0.3 -3,-0.0 -0.227 110.2 0.9 -54.0 130.5 8.3 4.4 -13.4 59 59 A G T 3 S+ 0 0 48 1,-0.1 2,-0.6 48,-0.1 -1,-0.3 0.486 107.8 104.6 70.7 0.4 10.6 1.5 -13.2 60 60 A N B < -J 57 0B 105 -3,-2.4 -3,-0.8 2,-0.0 -1,-0.1 -0.742 56.6-171.9-114.5 81.3 13.0 3.5 -11.0 61 61 A F - 0 0 52 -2,-0.6 2,-0.4 -6,-0.2 -6,-0.2 -0.385 14.6-161.6 -77.7 150.5 12.4 2.2 -7.5 62 62 A N + 0 0 86 -8,-2.1 4,-0.2 -2,-0.1 3,-0.1 -0.980 16.0 168.2-132.2 117.2 13.8 3.6 -4.3 63 63 A F > + 0 0 23 -2,-0.4 4,-3.5 1,-0.1 5,-0.3 0.165 40.6 114.9-115.2 16.6 13.9 1.4 -1.2 64 64 A A H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.954 86.5 32.6 -50.5 -62.6 16.1 3.5 1.1 65 65 A G H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 -41,-0.2 0.903 120.5 51.3 -64.2 -42.4 13.4 4.2 3.7 66 66 A A H > S+ 0 0 1 -18,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.915 110.2 49.2 -62.1 -43.8 11.7 0.8 3.3 67 67 A D H X S+ 0 0 39 -4,-3.5 4,-2.6 1,-0.2 5,-0.3 0.866 107.4 55.9 -63.5 -38.0 14.9 -1.1 3.7 68 68 A Y H X S+ 0 0 81 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.948 111.7 42.2 -59.5 -49.8 15.8 0.8 6.8 69 69 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.922 115.0 48.9 -64.4 -46.5 12.5 -0.2 8.5 70 70 A V H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.921 114.7 45.3 -61.0 -45.2 12.6 -3.8 7.3 71 71 A N H X S+ 0 0 76 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.945 114.2 48.1 -63.4 -48.9 16.2 -4.3 8.5 72 72 A W H X S+ 0 0 29 -4,-2.6 4,-1.3 -5,-0.3 -2,-0.2 0.919 112.7 50.5 -57.7 -44.4 15.5 -2.6 11.8 73 73 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.7 -5,-0.2 3,-0.5 0.951 112.6 44.8 -59.5 -51.5 12.4 -4.7 12.3 74 74 A Q H ><5S+ 0 0 88 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.916 111.4 52.7 -60.4 -44.6 14.2 -8.0 11.5 75 75 A Q H 3<5S+ 0 0 153 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.761 115.8 41.8 -62.5 -25.1 17.2 -7.1 13.7 76 76 A N T <<5S- 0 0 47 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.188 113.3-114.3-109.2 16.4 14.8 -6.4 16.6 77 77 A G T < 5 + 0 0 68 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.788 63.9 148.6 57.8 34.1 12.4 -9.3 16.1 78 78 A K < - 0 0 32 -5,-2.7 -36,-0.3 -6,-0.2 -1,-0.2 -0.813 46.5-122.7-102.9 138.6 9.4 -7.2 15.1 79 79 A L E -c 42 0A 61 -38,-2.8 -36,-2.5 -2,-0.4 2,-0.4 -0.364 27.4-140.6 -71.6 157.4 6.7 -8.3 12.7 80 80 A I E -c 43 0A 3 42,-0.3 45,-1.2 -38,-0.2 44,-1.2 -0.971 13.9-162.7-127.1 137.1 6.1 -6.1 9.7 81 81 A R E -d 125 0A 1 -38,-1.9 45,-0.2 -2,-0.4 2,-0.2 -0.973 24.4-136.4-115.4 113.9 2.9 -5.1 7.9 82 82 A G E -d 126 0A 0 43,-2.7 45,-2.7 -2,-0.5 2,-0.3 -0.497 25.2-140.3 -70.0 141.5 3.5 -3.8 4.3 83 83 A H - 0 0 3 1,-0.2 -34,-0.3 43,-0.2 45,-0.1 -0.973 50.4 -10.8-151.0 133.8 1.6 -0.6 3.5 84 84 A T + 0 0 2 43,-0.5 -33,-0.4 -2,-0.3 -1,-0.2 0.632 46.5 162.8-134.8 130.9 0.1 0.4 1.0 85 85 A L S S+ 0 0 0 42,-2.4 2,-0.5 1,-0.3 44,-0.2 0.931 80.8 25.3 -81.5 -44.5 0.4 -1.2 -2.5 86 86 A V B S+e 129 0A 2 42,-1.8 44,-2.7 41,-0.3 2,-0.3 -0.963 79.2 137.0-124.0 113.7 -2.6 0.2 -4.4 87 87 A W - 0 0 31 -2,-0.5 44,-0.1 -3,-0.2 -36,-0.1 -0.988 50.7-136.7-155.2 146.3 -4.0 3.5 -3.3 88 88 A H S S+ 0 0 56 42,-0.4 3,-0.5 -2,-0.3 2,-0.2 0.735 85.8 74.1 -77.7 -23.6 -5.2 6.7 -4.9 89 89 A S S S+ 0 0 42 1,-0.2 -38,-0.2 -38,-0.0 -37,-0.2 -0.527 97.7 20.0 -89.7 160.3 -3.4 9.0 -2.5 90 90 A Q S S+ 0 0 68 1,-0.2 -38,-1.7 -2,-0.2 -1,-0.2 0.901 91.9 149.4 47.4 45.9 0.4 9.6 -2.4 91 91 A L - 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