==== 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 04-FEB-01 1I1W . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOASCUS AURANTIACUS; . AUTHOR R.NATESH,S.RAMAKUMAR,M.A.VISWAMITRA . 303 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 72.3 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 . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 1 0 1 0 1 0 2 2 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 82 0, 0.0 2,-0.3 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 129.1 20.1 -9.9 33.9 2 2 A A - 0 0 11 33,-0.2 287,-0.0 1,-0.1 0, 0.0 -0.629 360.0-128.0 -80.5 142.3 16.9 -9.4 35.8 3 3 A A S S+ 0 0 110 -2,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.827 94.5 53.5 -58.2 -41.1 15.5 -12.6 37.5 4 4 A Q S S- 0 0 97 4,-0.0 2,-0.6 3,-0.0 -2,-0.1 -0.877 82.1-136.8-102.6 134.7 12.0 -12.1 35.9 5 5 A S > - 0 0 9 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.813 6.8-158.2 -95.2 120.7 11.6 -11.7 32.2 6 6 A V H > S+ 0 0 0 -2,-0.6 4,-2.4 33,-0.4 5,-0.2 0.821 97.1 57.4 -63.0 -29.6 9.2 -9.0 31.0 7 7 A D H > S+ 0 0 6 32,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.944 107.0 45.2 -66.9 -47.0 9.1 -11.0 27.7 8 8 A Q H > S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.937 115.1 49.7 -59.2 -42.9 7.9 -14.2 29.4 9 9 A L H < S+ 0 0 32 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.898 112.0 45.7 -66.4 -38.2 5.4 -12.2 31.4 10 10 A I H ><>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-1.0 0.872 110.0 55.1 -74.6 -32.5 3.9 -10.4 28.4 11 11 A K H ><5S+ 0 0 90 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.879 101.6 58.4 -62.6 -36.0 3.8 -13.6 26.4 12 12 A A T 3<5S+ 0 0 67 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.656 102.4 54.6 -70.2 -13.9 1.7 -15.1 29.3 13 13 A R T < 5S- 0 0 104 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.244 130.3 -96.5 -97.1 7.6 -0.8 -12.3 28.6 14 14 A G T < 5S+ 0 0 67 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.447 81.1 132.3 93.4 5.6 -1.0 -13.3 24.9 15 15 A K < - 0 0 22 -5,-2.1 -1,-0.3 1,-0.1 248,-0.2 -0.372 58.1-129.5 -84.6 165.8 1.4 -10.9 23.4 16 16 A V S S- 0 0 39 246,-2.3 2,-0.3 1,-0.3 247,-0.2 0.884 72.1 -24.6 -82.0 -41.8 4.1 -11.9 20.9 17 17 A Y E -a 263 0A 1 245,-1.2 247,-1.4 -7,-0.1 2,-0.4 -0.996 31.0-143.1-164.0 160.5 7.2 -10.2 22.5 18 18 A F E +a 264 0A 0 -2,-0.3 23,-2.8 245,-0.2 24,-0.4 -0.980 48.8 160.1-126.6 118.0 8.9 -7.7 24.7 19 19 A G E -a 265 0A 0 245,-3.1 247,-2.5 -2,-0.4 2,-0.3 -0.604 28.6-136.5-131.1-171.3 12.2 -6.7 23.0 20 20 A V E -ab 266 43A 0 22,-2.0 24,-1.7 245,-0.3 2,-0.3 -0.987 25.4-104.5-147.0 154.6 15.0 -4.2 22.7 21 21 A A E + b 0 44A 2 245,-2.2 2,-0.3 -2,-0.3 248,-0.1 -0.630 55.1 141.9 -72.1 140.4 17.2 -2.4 20.2 22 22 A T E - b 0 45A 1 22,-2.3 24,-2.6 -2,-0.3 25,-0.3 -0.916 24.8-171.7-160.5-174.0 20.7 -3.8 20.0 23 23 A D >> - 0 0 8 -2,-0.3 4,-2.9 22,-0.2 3,-1.2 -0.953 49.9 -76.5-174.8 173.2 23.5 -4.7 17.6 24 24 A Q H 3> S+ 0 0 74 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.854 124.4 60.2 -50.7 -43.0 26.9 -6.4 17.5 25 25 A N H 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.2 40,-0.0 0.835 114.2 35.3 -58.1 -36.3 28.6 -3.5 19.2 26 26 A R H X4 S+ 0 0 66 -3,-1.2 3,-1.8 2,-0.1 6,-0.4 0.866 114.2 55.7 -79.7 -45.6 26.3 -3.9 22.3 27 27 A L H 3< S+ 0 0 12 -4,-2.9 6,-0.3 1,-0.3 -2,-0.2 0.774 107.2 51.4 -61.6 -26.1 26.1 -7.7 22.2 28 28 A T T 3< S+ 0 0 84 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.3 0.237 109.7 51.2-100.2 15.2 29.9 -8.1 22.4 29 29 A T S X S- 0 0 84 -3,-1.8 3,-1.1 -5,-0.1 4,-0.4 -0.957 100.2 -7.5-144.5 162.2 30.5 -5.8 25.4 30 30 A G T 3 S- 0 0 53 -2,-0.3 4,-0.1 1,-0.2 3,-0.1 -0.156 107.0 -49.7 55.5-146.0 29.2 -5.2 28.9 31 31 A K T 3> S+ 0 0 111 1,-0.1 4,-2.1 2,-0.1 -1,-0.2 0.189 100.1 111.8-112.6 15.8 26.2 -7.3 30.1 32 32 A N H <> S+ 0 0 2 -3,-1.1 4,-2.6 -6,-0.4 5,-0.2 0.897 75.2 49.7 -59.7 -49.6 23.9 -6.6 27.1 33 33 A A H > S+ 0 0 22 -4,-0.4 4,-3.0 -7,-0.4 -1,-0.2 0.930 112.2 47.5 -58.8 -47.1 23.9 -10.1 25.6 34 34 A A H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 112.5 49.6 -63.5 -40.0 23.1 -11.8 28.9 35 35 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.921 113.0 46.7 -60.7 -46.7 20.3 -9.3 29.7 36 36 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.933 112.3 50.5 -64.2 -44.8 18.7 -9.8 26.3 37 37 A Q H < S+ 0 0 92 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.920 119.4 37.0 -52.9 -49.8 19.0 -13.5 26.6 38 38 A A H < S+ 0 0 39 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.856 130.1 21.0 -72.9 -40.7 17.3 -13.5 30.0 39 39 A N H < S+ 0 0 0 -4,-2.8 -32,-1.7 -5,-0.2 -33,-0.4 0.530 108.7 60.0-117.5 -12.7 14.7 -10.8 29.8 40 40 A F < - 0 0 2 -4,-1.7 -21,-0.2 -5,-0.4 3,-0.1 -0.864 46.0-164.4-125.8 157.1 13.7 -10.0 26.2 41 41 A G S S+ 0 0 1 -23,-2.8 38,-2.5 -2,-0.3 2,-0.3 0.311 72.6 38.9-121.5 6.1 12.2 -12.0 23.3 42 42 A Q E - c 0 79A 0 -24,-0.4 -22,-2.0 36,-0.3 2,-0.3 -0.980 59.2-156.0-158.9 149.3 12.9 -9.8 20.3 43 43 A V E -bc 20 80A 0 36,-2.7 38,-2.1 -2,-0.3 -22,-0.2 -0.984 3.6-162.4-133.6 146.1 15.6 -7.5 18.9 44 44 A T E -b 21 0A 0 -24,-1.7 -22,-2.3 -2,-0.3 2,-0.4 -0.996 33.9-115.4-118.3 129.6 15.7 -4.6 16.5 45 45 A P E -b 22 0A 0 0, 0.0 -22,-0.2 0, 0.0 4,-0.2 -0.509 21.1-152.7 -62.0 124.0 19.1 -3.6 14.9 46 46 A E S S- 0 0 16 -24,-2.6 -23,-0.1 -2,-0.4 -25,-0.1 0.859 82.1 -18.8 -67.3 -35.9 19.7 -0.2 16.3 47 47 A N S > S+ 0 0 61 -25,-0.3 3,-1.8 3,-0.1 6,-0.4 0.533 112.0 90.1-140.6 -25.8 21.8 0.8 13.2 48 48 A S T 3 S+ 0 0 15 1,-0.3 18,-0.5 17,-0.1 17,-0.1 0.605 93.0 46.0 -72.1 -11.5 23.1 -2.2 11.2 49 49 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 -3,-0.0 0.326 86.9 111.7-108.5 8.1 20.1 -2.5 8.9 50 50 A K S <> S- 0 0 11 -3,-1.8 4,-2.3 1,-0.1 5,-0.2 -0.294 82.9-106.1 -72.0 165.3 19.9 1.2 8.0 51 51 A W H > S+ 0 0 7 33,-0.3 4,-2.8 38,-0.3 40,-0.2 0.902 117.7 53.6 -65.9 -41.3 20.7 2.3 4.5 52 52 A D H 4 S+ 0 0 59 38,-1.8 -1,-0.2 1,-0.2 39,-0.1 0.889 114.2 43.2 -59.6 -37.4 24.1 3.9 5.4 53 53 A A H 4 S+ 0 0 36 -6,-0.4 -2,-0.2 -3,-0.2 -1,-0.2 0.866 122.9 35.1 -75.4 -38.6 25.2 0.6 7.1 54 54 A T H < S+ 0 0 0 -4,-2.3 8,-2.2 1,-0.2 -2,-0.2 0.773 131.1 22.0 -93.9 -29.8 23.9 -1.8 4.4 55 55 A E < + 0 0 0 -4,-2.8 -1,-0.2 6,-0.2 6,-0.2 -0.504 65.4 157.4-136.2 63.9 24.4 0.0 1.1 56 56 A P S S+ 0 0 66 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.803 78.3 25.6 -66.1 -28.9 27.1 2.6 1.8 57 57 A S B > S-I 60 0B 62 3,-0.8 3,-2.4 -3,-0.1 0, 0.0 -0.964 111.8 -83.7-127.2 147.0 28.0 2.8 -1.9 58 58 A Q T 3 S- 0 0 108 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.229 110.9 -3.1 -55.8 129.2 25.5 1.9 -4.6 59 59 A G T 3 S+ 0 0 47 1,-0.1 2,-0.7 48,-0.1 -1,-0.3 0.507 106.2 105.2 70.7 3.6 25.3 -1.8 -5.2 60 60 A N B < -I 57 0B 109 -3,-2.4 -3,-0.8 2,-0.0 2,-0.1 -0.822 58.3-167.1-117.5 83.8 28.1 -2.6 -2.7 61 61 A F - 0 0 53 -2,-0.7 2,-0.5 -6,-0.2 -6,-0.2 -0.439 15.6-156.9 -78.6 150.9 26.2 -4.0 0.2 62 62 A N + 0 0 88 -8,-2.2 4,-0.2 -2,-0.1 3,-0.1 -0.925 23.1 160.4-129.5 102.8 27.7 -4.5 3.7 63 63 A F > + 0 0 20 -2,-0.5 4,-3.2 1,-0.1 5,-0.3 0.279 41.0 106.2-104.6 7.1 25.8 -7.1 5.7 64 64 A A H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.939 86.9 38.2 -60.6 -48.5 28.4 -8.1 8.3 65 65 A G H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -41,-0.2 0.923 119.0 47.9 -69.7 -41.5 26.7 -6.3 11.2 66 66 A A H > S+ 0 0 1 -18,-0.5 4,-2.7 -4,-0.2 5,-0.2 0.917 111.7 50.9 -64.2 -42.2 23.2 -7.2 10.1 67 67 A D H X S+ 0 0 51 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.902 107.5 53.6 -60.5 -43.5 24.2 -10.8 9.6 68 68 A Y H X S+ 0 0 80 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.932 111.3 45.8 -56.9 -49.0 25.8 -10.9 13.1 69 69 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.926 113.6 47.9 -61.0 -48.5 22.5 -9.7 14.6 70 70 A V H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.938 114.5 45.6 -61.6 -45.2 20.3 -12.0 12.7 71 71 A N H X S+ 0 0 90 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.931 113.6 49.3 -64.2 -42.8 22.4 -15.0 13.5 72 72 A W H X S+ 0 0 16 -4,-2.6 4,-1.6 -5,-0.3 -2,-0.2 0.924 111.0 50.6 -60.8 -45.7 22.7 -14.1 17.2 73 73 A A H X>S+ 0 0 0 -4,-2.8 5,-2.8 -5,-0.2 4,-0.5 0.938 112.0 46.5 -59.0 -48.5 18.9 -13.6 17.4 74 74 A Q H ><5S+ 0 0 104 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.948 111.9 50.9 -58.6 -46.6 18.3 -17.0 15.8 75 75 A Q H 3<5S+ 0 0 133 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.774 117.1 40.9 -56.3 -35.1 20.9 -18.7 18.1 76 76 A N H 3<5S- 0 0 42 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.275 114.2-110.2-104.9 7.8 19.3 -17.2 21.1 77 77 A G T <<5 + 0 0 59 -3,-1.2 2,-0.5 -4,-0.5 -3,-0.2 0.808 66.5 146.1 70.7 31.7 15.6 -17.5 20.2 78 78 A K < - 0 0 27 -5,-2.8 -36,-0.3 -6,-0.2 -1,-0.2 -0.870 46.0-129.3-105.9 131.6 14.9 -13.9 19.7 79 79 A L E -c 42 0A 61 -38,-2.5 -36,-2.7 -2,-0.5 2,-0.4 -0.341 26.1-135.9 -67.0 159.0 12.4 -12.5 17.0 80 80 A I E -c 43 0A 3 42,-0.3 44,-1.4 -38,-0.2 45,-1.2 -0.969 16.1-164.6-125.4 133.4 13.7 -9.9 14.7 81 81 A R E -d 125 0A 0 -38,-2.1 2,-0.2 -2,-0.4 45,-0.2 -0.972 26.0-137.4-108.1 117.2 12.2 -6.6 13.5 82 82 A G E -d 126 0A 0 43,-2.7 45,-2.8 -2,-0.6 2,-0.3 -0.552 21.3-136.7 -74.4 141.0 14.2 -5.3 10.5 83 83 A H E -d 127 0A 2 -2,-0.2 -34,-0.5 1,-0.2 45,-0.1 -0.951 51.2 -16.4-152.7 115.9 14.8 -1.6 10.6 84 84 A T E + 0 0 2 43,-0.6 -33,-0.3 -2,-0.3 -1,-0.2 0.652 37.7 166.6-148.8 144.9 14.5 0.3 8.3 85 85 A L E S+ 0 0 0 42,-2.1 2,-0.5 1,-0.2 44,-0.2 0.857 82.8 29.0 -81.0 -43.0 14.3 0.2 4.5 86 86 A V E S+d 129 0A 2 42,-1.3 44,-2.6 41,-0.3 2,-0.3 -0.975 77.0 131.5-127.7 112.8 13.1 3.6 3.3 87 87 A W - 0 0 28 -2,-0.5 44,-0.1 42,-0.2 -36,-0.1 -0.975 51.9-135.8-161.3 147.0 14.0 6.6 5.5 88 88 A H S > S+ 0 0 61 42,-0.4 3,-0.5 -2,-0.3 2,-0.2 0.643 84.9 76.8 -83.1 -21.4 15.6 10.1 5.0 89 89 A S T 3 S+ 0 0 41 1,-0.2 -38,-0.3 0, 0.0 -37,-0.2 -0.651 99.5 18.4 -88.2 155.6 18.0 9.9 8.0 90 90 A Q T 3 S+ 0 0 68 -2,-0.2 -38,-1.8 1,-0.2 -1,-0.2 0.863 92.5 146.7 51.1 40.3 21.2 7.8 7.8 91 91 A L < - 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