==== 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 22-OCT-01 1GOM . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOASCUS AURANTIACUS; . AUTHOR L.LO LEGGIO,R.W.PICKERSGILL . 302 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 15.2 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 . 17 5.6 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 . 1 2 2 4 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 1 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 X 0 0 78 0, 0.0 2,-0.3 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 148.3 -13.5 -11.5 4.4 2 2 A A - 0 0 11 2,-0.2 287,-0.0 33,-0.2 0, 0.0 -0.633 360.0-119.4 -84.6 150.6 -14.4 -11.2 0.8 3 3 A A S S+ 0 0 111 -2,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.874 98.1 60.8 -59.2 -39.1 -15.1 -14.5 -1.0 4 4 A Q S S- 0 0 95 4,-0.0 2,-0.7 3,-0.0 -2,-0.2 -0.795 79.6-139.0 -98.2 132.2 -12.3 -13.9 -3.5 5 5 A S > - 0 0 9 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 -0.768 6.5-161.9 -92.3 113.6 -8.7 -13.6 -2.3 6 6 A V H > S+ 0 0 0 -2,-0.7 4,-2.1 33,-0.3 5,-0.2 0.780 94.3 58.2 -63.2 -23.6 -6.6 -10.9 -4.1 7 7 A D H > S+ 0 0 12 32,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.928 106.5 45.0 -71.2 -45.3 -3.6 -12.8 -2.8 8 8 A Q H > S+ 0 0 135 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.920 115.2 49.5 -63.2 -43.0 -4.5 -16.1 -4.5 9 9 A L H X S+ 0 0 29 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.890 110.3 47.9 -65.4 -40.8 -5.3 -14.2 -7.7 10 10 A I H ><>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 3,-0.5 0.864 109.5 55.0 -70.3 -30.1 -2.1 -12.2 -7.8 11 11 A K H ><5S+ 0 0 85 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.874 103.1 56.0 -65.4 -36.7 -0.2 -15.4 -7.2 12 12 A A H 3<5S+ 0 0 84 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.722 103.4 55.9 -67.7 -19.8 -2.0 -16.9 -10.2 13 13 A R T <<5S- 0 0 122 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.292 129.5 -96.8 -93.7 7.5 -0.6 -14.0 -12.2 14 14 A G T < 5S+ 0 0 67 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.521 83.2 126.0 93.6 4.5 3.0 -14.9 -11.2 15 15 A K < - 0 0 23 -5,-2.3 -1,-0.3 -6,-0.1 248,-0.2 -0.453 60.2-128.5 -92.2 168.9 3.4 -12.5 -8.2 16 16 A V S S- 0 0 48 246,-2.5 2,-0.3 1,-0.3 247,-0.2 0.869 71.4 -24.8 -85.2 -39.8 4.5 -13.5 -4.7 17 17 A Y E -a 263 0A 0 245,-1.2 247,-1.5 -7,-0.1 2,-0.4 -0.999 31.7-142.7-167.6 166.0 1.8 -11.9 -2.5 18 18 A F E +a 264 0A 0 -2,-0.3 23,-2.2 245,-0.2 24,-0.5 -0.955 47.1 165.4-135.9 109.9 -0.8 -9.3 -1.8 19 19 A G E -a 265 0A 0 245,-3.5 247,-2.6 -2,-0.4 2,-0.3 -0.529 27.0-137.3-122.4-169.4 -0.6 -8.3 1.8 20 20 A V E -ab 266 43A 0 22,-2.4 24,-1.7 245,-0.3 2,-0.3 -0.967 24.2-107.5-148.5 159.1 -1.6 -5.9 4.6 21 21 A A E + b 0 44A 2 245,-1.8 2,-0.3 -2,-0.3 248,-0.1 -0.688 54.0 140.0 -86.6 143.4 -0.2 -4.1 7.6 22 22 A T E - b 0 45A 0 22,-2.8 24,-2.8 -2,-0.3 25,-0.3 -0.931 25.4-171.1-164.3-175.2 -1.4 -5.4 11.0 23 23 A D >> - 0 0 8 -2,-0.3 4,-2.6 22,-0.2 3,-1.3 -0.959 49.9 -72.4-174.9 175.6 -0.4 -6.2 14.6 24 24 A Q H 3> S+ 0 0 81 -2,-0.3 4,-2.0 1,-0.3 5,-0.1 0.868 124.3 57.0 -52.0 -44.7 -1.7 -7.9 17.7 25 25 A N H 34 S+ 0 0 87 1,-0.2 -1,-0.3 2,-0.2 4,-0.0 0.787 114.4 39.7 -61.9 -25.5 -4.2 -5.1 18.5 26 26 A R H X4 S+ 0 0 56 -3,-1.3 3,-1.6 2,-0.1 7,-0.4 0.881 112.0 54.6 -87.3 -44.5 -5.8 -5.6 15.1 27 27 A L H 3< S+ 0 0 12 -4,-2.6 6,-0.4 1,-0.3 -2,-0.2 0.793 108.5 50.2 -60.3 -29.4 -5.7 -9.3 15.0 28 28 A T T 3< S+ 0 0 87 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.3 0.404 108.3 60.1 -92.4 3.8 -7.5 -9.6 18.3 29 29 A T S X S- 0 0 86 -3,-1.6 3,-1.1 -5,-0.1 4,-0.4 -0.939 99.5 -18.4-132.5 155.1 -10.4 -7.3 17.4 30 30 A G T 3 S- 0 0 59 -2,-0.3 3,-0.2 1,-0.2 4,-0.2 -0.110 106.5 -45.9 53.8-148.9 -13.1 -7.1 14.9 31 31 A K T 3> S+ 0 0 120 1,-0.2 4,-2.6 2,-0.1 5,-0.2 0.190 99.6 113.2-103.7 16.4 -12.9 -9.2 11.7 32 32 A N H <> S+ 0 0 6 -3,-1.1 4,-2.8 -6,-0.4 5,-0.2 0.909 76.0 50.1 -53.5 -50.2 -9.2 -8.4 10.9 33 33 A A H > S+ 0 0 24 -7,-0.4 4,-2.6 -6,-0.4 -1,-0.2 0.929 113.1 45.8 -56.2 -48.9 -7.9 -11.9 11.5 34 34 A A H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.927 113.0 49.3 -61.4 -47.7 -10.5 -13.5 9.3 35 35 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.5 0.936 114.0 46.1 -59.0 -45.9 -10.1 -11.0 6.5 36 36 A I H X S+ 0 0 0 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.893 112.8 50.3 -65.3 -39.1 -6.3 -11.4 6.6 37 37 A Q H < S+ 0 0 89 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.952 120.4 33.8 -63.6 -49.4 -6.6 -15.2 6.7 38 38 A A H < S+ 0 0 46 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.867 129.8 27.0 -76.3 -39.6 -9.0 -15.5 3.8 39 39 A D H < S+ 0 0 0 -4,-2.8 -32,-1.5 -5,-0.3 -33,-0.3 0.631 110.3 52.1-104.7 -16.9 -7.9 -12.6 1.5 40 40 A F < - 0 0 3 -4,-1.3 -21,-0.2 -5,-0.5 3,-0.1 -0.817 47.2-162.9-121.4 163.0 -4.2 -11.8 2.0 41 41 A G S S+ 0 0 4 -23,-2.2 38,-2.6 -2,-0.3 2,-0.3 0.252 72.6 44.8-126.8 13.3 -0.9 -13.8 2.0 42 42 A Q E - c 0 79A 0 -24,-0.5 -22,-2.4 36,-0.3 2,-0.3 -0.992 58.1-159.7-157.5 146.0 1.5 -11.4 3.7 43 43 A V E -bc 20 80A 0 36,-2.7 38,-2.1 -2,-0.3 -22,-0.2 -0.965 4.4-162.1-131.8 149.5 1.6 -9.2 6.8 44 44 A T E -b 21 0A 0 -24,-1.7 -22,-2.8 -2,-0.3 2,-0.3 -0.998 33.3-114.5-126.7 128.6 3.8 -6.2 7.8 45 45 A P E -b 22 0A 0 0, 0.0 -22,-0.2 0, 0.0 4,-0.2 -0.509 19.8-151.1 -66.6 124.5 3.9 -5.2 11.5 46 46 A E S S- 0 0 16 -24,-2.8 -23,-0.1 -2,-0.3 -25,-0.0 0.908 81.2 -24.1 -62.4 -43.4 2.3 -1.8 11.8 47 47 A N S > S+ 0 0 63 -25,-0.3 3,-2.1 3,-0.1 6,-0.3 0.546 111.0 94.0-143.1 -24.2 4.3 -0.8 14.8 48 48 A S T 3 S+ 0 0 16 1,-0.3 18,-0.5 17,-0.1 17,-0.1 0.587 91.7 45.3 -58.0 -14.7 5.5 -3.8 16.8 49 49 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 2,-0.1 0.312 87.5 112.0-111.0 8.7 9.0 -4.1 15.2 50 50 A K S <> S- 0 0 15 -3,-2.1 4,-2.3 1,-0.1 3,-0.3 -0.359 80.8-106.6 -77.4 162.3 9.8 -0.4 15.3 51 51 A W H > S+ 0 0 8 33,-0.3 4,-2.7 38,-0.2 40,-0.2 0.891 116.1 53.3 -58.1 -46.8 12.6 0.8 17.5 52 52 A D H 4 S+ 0 0 59 38,-1.9 -1,-0.2 1,-0.2 39,-0.1 0.865 115.7 42.9 -59.8 -32.1 10.6 2.5 20.2 53 53 A A H 4 S+ 0 0 33 -3,-0.3 -2,-0.2 -6,-0.3 -1,-0.2 0.856 121.1 37.1 -81.4 -37.4 8.6 -0.8 20.6 54 54 A T H < S+ 0 0 1 -4,-2.3 8,-2.2 1,-0.2 -2,-0.2 0.781 131.9 19.9 -89.5 -30.1 11.5 -3.3 20.5 55 55 A E < + 0 0 1 -4,-2.7 -1,-0.2 -5,-0.2 6,-0.2 -0.446 64.9 155.9-138.8 64.2 14.3 -1.5 22.3 56 56 A P S S+ 0 0 67 0, 0.0 2,-0.4 0, 0.0 38,-0.2 0.775 80.6 31.4 -59.7 -27.3 12.6 1.3 24.5 57 57 A S B > S-I 60 0B 65 3,-0.8 3,-2.7 -3,-0.1 0, 0.0 -0.997 110.6 -89.1-132.9 135.7 15.7 1.1 26.7 58 58 A Q T 3 S- 0 0 111 -2,-0.4 3,-0.1 1,-0.3 -3,-0.0 -0.176 109.7 -3.3 -50.0 120.7 19.1 0.3 25.4 59 59 A G T 3 S+ 0 0 47 1,-0.1 2,-0.7 48,-0.1 -1,-0.3 0.476 106.8 107.1 76.8 0.1 19.8 -3.4 25.5 60 60 A N B < -I 57 0B 105 -3,-2.7 -3,-0.8 2,-0.0 -1,-0.1 -0.767 57.3-168.6-111.5 82.7 16.4 -4.0 27.1 61 61 A F - 0 0 50 -2,-0.7 2,-0.4 -6,-0.2 -6,-0.2 -0.388 16.1-159.8 -77.9 150.9 14.4 -5.6 24.2 62 62 A N + 0 0 84 -8,-2.2 4,-0.2 -2,-0.1 3,-0.1 -0.971 20.8 161.4-130.8 111.6 10.7 -6.2 24.1 63 63 A F > + 0 0 27 -2,-0.4 4,-3.3 2,-0.1 5,-0.3 0.315 41.4 109.7-112.6 4.7 9.5 -8.7 21.5 64 64 A A H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.920 87.0 37.3 -47.3 -55.1 6.1 -9.6 22.9 65 65 A G H > S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 117.7 49.9 -66.4 -43.9 4.2 -7.8 20.1 66 66 A A H > S+ 0 0 1 -18,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.879 110.0 51.6 -63.6 -38.4 6.6 -8.9 17.4 67 67 A D H X S+ 0 0 35 -4,-3.3 4,-2.7 2,-0.2 5,-0.3 0.877 105.4 55.5 -66.2 -38.8 6.5 -12.5 18.5 68 68 A Y H X S+ 0 0 79 -4,-1.7 4,-2.5 -5,-0.3 5,-0.2 0.954 112.0 43.2 -59.0 -48.6 2.7 -12.6 18.5 69 69 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.931 114.4 48.4 -63.4 -48.8 2.6 -11.4 14.8 70 70 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.930 115.4 44.5 -59.5 -45.9 5.4 -13.7 13.6 71 71 A N H X S+ 0 0 82 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.910 113.8 49.8 -65.5 -42.5 3.9 -16.8 15.3 72 72 A W H X S+ 0 0 26 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.930 112.4 49.2 -60.6 -44.6 0.4 -15.9 14.1 73 73 A A H <>S+ 0 0 0 -4,-2.9 5,-2.5 2,-0.2 4,-0.4 0.915 111.1 47.7 -61.6 -47.5 1.8 -15.5 10.5 74 74 A Q H ><5S+ 0 0 110 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.949 112.5 49.4 -59.9 -49.3 3.7 -18.8 10.5 75 75 A Q H 3<5S+ 0 0 160 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.812 116.5 42.5 -57.7 -36.0 0.7 -20.7 11.8 76 76 A N T 3<5S- 0 0 50 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.299 113.0-114.1 -99.2 10.1 -1.6 -19.1 9.2 77 77 A G T < 5 + 0 0 64 -3,-1.3 2,-0.4 -4,-0.4 -3,-0.2 0.751 64.3 144.1 67.2 28.4 0.8 -19.4 6.3 78 78 A K < - 0 0 29 -5,-2.5 -36,-0.3 -6,-0.2 -1,-0.2 -0.813 48.1-124.4-102.8 139.6 1.3 -15.7 5.7 79 79 A L E -c 42 0A 63 -38,-2.6 -36,-2.7 -2,-0.4 2,-0.4 -0.364 26.4-139.1 -72.7 159.3 4.7 -14.2 4.6 80 80 A I E -c 43 0A 3 42,-0.3 44,-1.6 -38,-0.2 45,-1.2 -0.976 12.3-160.7-127.4 135.7 6.2 -11.5 6.8 81 81 A R E -d 125 0A 2 -38,-2.1 2,-0.3 -2,-0.4 45,-0.2 -0.973 25.7-132.6-111.3 122.7 8.0 -8.2 5.9 82 82 A G E -d 126 0A 0 43,-3.6 45,-2.7 -2,-0.5 2,-0.3 -0.612 24.4-139.9 -74.9 136.0 10.1 -6.9 8.8 83 83 A H E -d 127 0A 2 -2,-0.3 -34,-0.5 1,-0.2 45,-0.1 -0.932 50.4 -17.7-151.3 122.3 9.5 -3.2 9.4 84 84 A T E + 0 0 2 43,-0.6 -33,-0.3 -2,-0.3 -1,-0.2 0.701 40.2 165.6-143.2 151.5 11.6 -1.3 10.1 85 85 A L E S+ 0 0 1 42,-2.0 2,-0.6 1,-0.2 44,-0.2 0.972 80.2 29.5 -80.5 -59.6 15.2 -1.2 11.4 86 86 A V E S+d 129 0A 2 42,-2.9 44,-2.5 41,-0.2 2,-0.3 -0.922 75.9 136.0-110.2 117.1 16.8 2.2 10.8 87 87 A W - 0 0 30 -2,-0.6 44,-0.1 42,-0.2 -36,-0.1 -0.985 52.2-134.8-156.7 149.7 14.4 5.2 10.9 88 88 A H S S+ 0 0 57 42,-0.4 3,-0.4 -2,-0.3 2,-0.2 0.652 86.1 72.5 -83.7 -16.7 14.3 8.7 12.4 89 89 A S S S+ 0 0 43 1,-0.2 -38,-0.2 0, 0.0 -37,-0.2 -0.589 98.2 20.5 -96.1 162.5 10.7 8.4 13.6 90 90 A Q S S+ 0 0 65 1,-0.2 -38,-1.9 -2,-0.2 -1,-0.2 0.877 89.9 147.4 46.5 42.0 9.5 6.3 16.5 91 91 A L - 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