==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-OCT-98 1TUX . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOASCUS AURANTIACUS; . AUTHOR R.NATESH,P.BHANUMOORTHY,P.J.VITHAYATHIL,K.SEKAR,S.RAMAKUMAR, . 301 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 15.3 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 . 96 31.9 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 1 0 1 1 1 0 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 A 0 0 68 0, 0.0 2,-0.3 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 147.9 9.8 10.1 -10.9 2 2 A A - 0 0 10 33,-0.2 287,-0.0 2,-0.1 0, 0.0 -0.629 360.0-127.9 -86.1 145.7 6.5 9.9 -13.0 3 3 A A S S+ 0 0 104 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.808 94.0 63.5 -62.3 -29.4 5.2 13.2 -14.4 4 4 A Q S S- 0 0 107 4,-0.0 2,-0.6 3,-0.0 -2,-0.1 -0.873 79.7-139.3-104.7 130.0 1.8 12.6 -12.8 5 5 A S > - 0 0 11 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 -0.747 7.8-162.3 -91.3 118.3 1.3 12.3 -9.1 6 6 A V H > S+ 0 0 0 -2,-0.6 4,-2.1 33,-0.5 5,-0.2 0.817 94.6 57.6 -66.5 -27.1 -1.0 9.6 -7.9 7 7 A D H > S+ 0 0 19 32,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.949 107.1 43.4 -67.4 -52.3 -1.2 11.6 -4.6 8 8 A Q H > S+ 0 0 136 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.894 114.6 52.0 -60.7 -40.0 -2.4 14.8 -6.1 9 9 A L H X S+ 0 0 50 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.891 110.9 45.5 -66.2 -40.4 -4.9 12.9 -8.3 10 10 A I H <>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 3,-0.4 0.850 109.5 56.1 -73.4 -30.2 -6.4 11.0 -5.3 11 11 A D H ><5S+ 0 0 67 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.901 103.0 55.7 -63.7 -39.9 -6.5 14.2 -3.3 12 12 A A H 3<5S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.755 103.0 56.2 -64.6 -23.0 -8.6 15.7 -6.2 13 13 A R T 3<5S- 0 0 131 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.337 129.4 -97.4 -89.6 7.3 -11.0 12.8 -5.7 14 14 A G T < 5S+ 0 0 66 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.632 82.7 126.3 90.0 11.6 -11.4 13.7 -2.0 15 15 A K < - 0 0 24 -5,-2.2 -1,-0.3 -8,-0.1 248,-0.2 -0.523 60.2-127.4 -97.8 170.7 -9.0 11.4 -0.3 16 16 A V S S- 0 0 56 246,-2.4 2,-0.3 1,-0.3 247,-0.2 0.847 71.2 -25.1 -86.5 -39.5 -6.1 12.3 2.0 17 17 A Y E -a 263 0A 0 245,-1.1 247,-1.3 -7,-0.1 2,-0.4 -0.995 31.5-142.6-167.8 165.5 -3.1 10.7 0.5 18 18 A F E +a 264 0A 0 -2,-0.3 23,-2.4 245,-0.2 24,-0.5 -0.969 47.9 164.4-134.7 111.3 -1.4 8.1 -1.7 19 19 A G E -a 265 0A 0 245,-3.2 247,-2.7 -2,-0.4 2,-0.3 -0.608 27.4-137.8-124.8-169.3 1.9 7.1 0.1 20 20 A V E -ab 266 43A 0 22,-2.3 24,-1.6 245,-0.3 2,-0.3 -0.955 23.8-108.0-150.6 156.0 4.8 4.7 0.4 21 21 A A E + b 0 44A 2 245,-1.8 2,-0.3 -2,-0.3 248,-0.1 -0.675 53.0 140.4 -82.3 145.9 7.0 2.9 2.9 22 22 A T E - b 0 45A 1 22,-2.6 24,-2.6 -2,-0.3 25,-0.3 -0.925 25.2-169.1-166.7-176.6 10.6 4.2 3.1 23 23 A D >> - 0 0 9 -2,-0.3 4,-2.8 22,-0.2 3,-1.1 -0.952 49.2 -74.0-172.5 176.2 13.5 5.0 5.5 24 24 A Q H 3> S+ 0 0 80 -2,-0.3 4,-1.8 1,-0.3 5,-0.1 0.856 124.0 58.3 -54.3 -41.7 16.9 6.7 5.6 25 25 A N H 34 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.2 40,-0.0 0.842 114.4 37.4 -61.5 -30.3 18.6 3.8 3.7 26 26 A R H X4 S+ 0 0 56 -3,-1.1 3,-1.8 2,-0.1 7,-0.4 0.884 112.3 56.7 -84.9 -44.3 16.3 4.3 0.7 27 27 A L H 3< S+ 0 0 12 -4,-2.8 6,-0.3 1,-0.3 -2,-0.2 0.777 108.1 48.7 -59.9 -25.4 16.1 8.1 0.9 28 28 A T T 3< S+ 0 0 90 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.3 0.318 109.9 60.2 -97.8 8.6 19.9 8.4 0.6 29 29 A T S X S- 0 0 87 -3,-1.8 3,-1.0 -5,-0.1 4,-0.4 -0.954 98.3 -17.7-134.6 156.3 20.2 6.0 -2.4 30 30 A G T 3 S- 0 0 57 -2,-0.3 3,-0.2 1,-0.2 4,-0.2 -0.144 105.9 -45.2 54.5-143.7 18.9 5.7 -6.0 31 31 A K T 3> S+ 0 0 127 1,-0.2 4,-2.1 2,-0.1 -1,-0.2 0.249 100.6 112.8-108.2 11.0 16.0 7.8 -7.2 32 32 A N H <> S+ 0 0 4 -3,-1.0 4,-2.5 -6,-0.3 5,-0.2 0.883 74.9 47.6 -50.3 -53.5 13.8 7.0 -4.1 33 33 A A H > S+ 0 0 23 -7,-0.4 4,-2.7 -4,-0.4 -1,-0.2 0.909 112.3 48.6 -58.8 -46.5 13.7 10.6 -2.7 34 34 A A H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 112.1 49.7 -62.6 -38.7 12.9 12.3 -6.0 35 35 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.4 0.936 113.1 45.9 -66.2 -45.2 10.1 9.8 -6.7 36 36 A I H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.920 112.7 51.0 -64.8 -41.7 8.6 10.2 -3.2 37 37 A Q H < S+ 0 0 88 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.940 120.1 34.6 -60.3 -47.1 8.8 14.0 -3.5 38 38 A A H < S+ 0 0 44 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.887 129.5 24.6 -77.4 -40.5 7.1 14.1 -6.9 39 39 A D H < S+ 0 0 1 -4,-3.0 -32,-1.6 -5,-0.2 -33,-0.5 0.569 110.0 53.1-106.9 -15.5 4.5 11.4 -6.8 40 40 A F < - 0 0 2 -4,-1.5 -21,-0.2 -5,-0.4 3,-0.1 -0.835 47.1-162.7-123.0 163.0 3.5 10.6 -3.2 41 41 A G S S+ 0 0 7 -23,-2.4 38,-2.4 -2,-0.3 2,-0.3 0.295 71.6 45.9-128.4 15.1 2.2 12.5 -0.2 42 42 A Q E - c 0 79A 0 -24,-0.5 -22,-2.3 36,-0.3 2,-0.3 -0.994 57.4-159.6-157.4 146.0 2.8 10.2 2.7 43 43 A V E -bc 20 80A 0 36,-2.6 38,-2.1 -2,-0.3 -22,-0.2 -0.971 4.6-163.0-131.6 147.4 5.5 7.9 4.2 44 44 A T E -b 21 0A 1 -24,-1.6 -22,-2.6 -2,-0.3 2,-0.3 -0.993 33.5-115.9-124.2 128.9 5.6 5.0 6.6 45 45 A P E -b 22 0A 1 0, 0.0 -22,-0.2 0, 0.0 4,-0.1 -0.551 19.8-151.5 -68.0 129.1 9.0 4.1 8.1 46 46 A E S S- 0 0 14 -24,-2.6 -23,-0.1 -2,-0.3 -25,-0.0 0.891 80.5 -21.5 -69.0 -37.9 9.8 0.6 6.9 47 47 A N S > S+ 0 0 65 -25,-0.3 3,-1.7 3,-0.1 6,-0.3 0.532 110.6 92.6-144.9 -21.6 11.8 -0.4 10.0 48 48 A S T 3 S+ 0 0 15 1,-0.3 18,-0.5 17,-0.1 17,-0.1 0.582 91.7 46.4 -62.6 -15.9 13.1 2.7 11.9 49 49 A M T 3 S+ 0 0 0 34,-0.2 -1,-0.3 -4,-0.1 2,-0.0 0.355 86.6 112.7-107.5 5.5 10.2 2.9 14.3 50 50 A K S X> S- 0 0 13 -3,-1.7 4,-2.3 1,-0.1 3,-0.5 -0.327 80.7-107.0 -74.2 160.3 10.1 -0.8 15.2 51 51 A W H 3> S+ 0 0 7 33,-0.4 4,-2.8 38,-0.2 40,-0.2 0.879 116.8 53.5 -57.0 -43.7 10.9 -2.0 18.7 52 52 A D H 34 S+ 0 0 62 38,-1.8 -1,-0.2 1,-0.2 39,-0.1 0.847 114.7 42.9 -62.9 -30.0 14.3 -3.6 17.8 53 53 A A H <4 S+ 0 0 34 -3,-0.5 -2,-0.2 -6,-0.3 -1,-0.2 0.873 121.7 36.2 -82.8 -39.2 15.4 -0.3 16.2 54 54 A T H < S+ 0 0 0 -4,-2.3 8,-2.6 1,-0.2 -2,-0.2 0.794 130.5 21.7 -88.7 -34.8 14.1 2.2 18.9 55 55 A E < + 0 0 1 -4,-2.8 -1,-0.2 -5,-0.2 6,-0.2 -0.524 64.7 157.4-134.4 69.5 14.7 0.4 22.2 56 56 A P S S+ 0 0 64 0, 0.0 2,-0.4 0, 0.0 38,-0.2 0.803 78.2 27.7 -63.6 -26.5 17.4 -2.3 21.6 57 57 A S B > S-I 60 0B 64 3,-0.7 3,-2.7 -3,-0.1 0, 0.0 -0.987 111.1 -84.1-135.0 135.1 18.3 -2.4 25.3 58 58 A Q T 3 S- 0 0 110 -2,-0.4 3,-0.0 1,-0.3 -3,-0.0 -0.111 111.4 -3.8 -44.9 125.4 15.7 -1.5 28.0 59 59 A G T 3 S+ 0 0 47 1,-0.1 2,-0.8 48,-0.1 -1,-0.3 0.457 105.6 108.3 70.5 -0.8 15.5 2.3 28.5 60 60 A N B < -I 57 0B 106 -3,-2.7 -3,-0.7 2,-0.0 -1,-0.1 -0.772 57.0-166.5-110.1 83.8 18.3 2.9 26.0 61 61 A F - 0 0 51 -2,-0.8 2,-0.4 -6,-0.2 -6,-0.2 -0.365 15.0-160.6 -76.2 149.7 16.5 4.5 23.1 62 62 A N + 0 0 85 -8,-2.6 4,-0.2 -2,-0.1 3,-0.1 -0.977 20.4 161.1-131.6 113.0 17.8 5.0 19.6 63 63 A F > + 0 0 25 -2,-0.4 4,-3.3 2,-0.1 5,-0.3 0.305 39.8 110.1-114.6 6.0 16.0 7.6 17.5 64 64 A A H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.917 85.8 37.9 -49.5 -54.3 18.6 8.3 14.8 65 65 A G H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 118.8 47.6 -65.1 -46.1 16.7 6.6 11.9 66 66 A A H > S+ 0 0 1 -18,-0.5 4,-2.6 1,-0.2 5,-0.2 0.911 110.6 52.7 -63.0 -42.4 13.2 7.7 13.0 67 67 A D H X S+ 0 0 41 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.860 107.1 53.1 -59.8 -41.3 14.4 11.3 13.5 68 68 A Y H X S+ 0 0 80 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.930 111.5 45.3 -60.2 -49.6 15.8 11.4 10.0 69 69 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.929 113.4 48.0 -61.0 -50.1 12.6 10.2 8.4 70 70 A V H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.948 114.9 45.8 -58.0 -47.8 10.3 12.6 10.4 71 71 A N H X S+ 0 0 86 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.920 114.0 49.2 -62.4 -44.5 12.5 15.6 9.7 72 72 A W H X S+ 0 0 24 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.947 112.5 47.8 -59.3 -49.1 12.7 14.7 6.0 73 73 A A H <>S+ 0 0 0 -4,-3.0 5,-3.0 1,-0.2 4,-0.3 0.901 112.5 48.9 -60.0 -43.0 8.9 14.2 5.7 74 74 A Q H ><5S+ 0 0 110 -4,-2.5 3,-1.4 -5,-0.2 -1,-0.2 0.946 111.2 48.5 -63.3 -47.7 8.2 17.5 7.5 75 75 A Q H 3<5S+ 0 0 162 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.794 116.9 44.2 -61.3 -32.8 10.6 19.5 5.3 76 76 A N T 3<5S- 0 0 50 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.281 113.0-114.2 -98.5 10.9 9.1 17.9 2.2 77 77 A G T < 5 + 0 0 64 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.2 0.775 64.3 146.2 64.0 30.7 5.4 18.2 3.2 78 78 A K < - 0 0 31 -5,-3.0 -36,-0.3 -6,-0.2 -1,-0.2 -0.815 46.9-126.4-103.6 138.5 4.7 14.5 3.5 79 79 A L E -c 42 0A 64 -38,-2.4 -36,-2.6 -2,-0.4 2,-0.4 -0.408 26.9-139.2 -71.7 157.9 2.3 13.0 6.0 80 80 A I E -c 43 0A 3 42,-0.2 44,-1.4 -38,-0.2 45,-1.1 -0.971 13.8-160.4-128.1 134.9 3.6 10.3 8.3 81 81 A R E -d 125 0A 2 -38,-2.1 2,-0.4 -2,-0.4 45,-0.2 -0.976 26.6-132.7-110.2 117.7 2.1 7.1 9.6 82 82 A G E -d 126 0A 0 43,-3.1 45,-2.6 -2,-0.6 2,-0.8 -0.558 23.2-138.9 -70.3 127.0 4.0 5.8 12.6 83 83 A H E -d 127 0A 3 -2,-0.4 -34,-0.2 43,-0.2 45,-0.1 -0.851 51.4 -20.9-119.5 109.7 4.8 2.2 12.2 84 84 A T E + 0 0 3 -2,-0.8 -33,-0.4 43,-0.7 44,-0.2 0.952 39.0 168.3 58.9 104.9 4.4 -0.1 14.9 85 85 A L E S+ 0 0 1 42,-1.6 2,-0.6 1,-0.2 44,-0.2 0.978 80.9 31.3 -78.1 -61.5 4.4 0.2 18.6 86 86 A V E S+d 129 0A 2 42,-2.9 44,-2.5 41,-0.2 2,-0.3 -0.889 76.1 134.7-110.9 113.1 3.2 -3.3 19.8 87 87 A W - 0 0 28 -2,-0.6 44,-0.1 42,-0.2 -36,-0.1 -0.990 51.2-136.3-154.0 148.2 4.2 -6.3 17.7 88 88 A H S S+ 0 0 63 42,-0.4 3,-0.4 -2,-0.3 2,-0.2 0.593 86.2 72.6 -81.1 -17.6 5.6 -9.8 18.3 89 89 A S S S+ 0 0 48 1,-0.2 -38,-0.2 0, 0.0 -2,-0.1 -0.677 97.6 22.1 -97.4 157.8 8.1 -9.6 15.4 90 90 A Q S S+ 0 0 61 -2,-0.2 -38,-1.8 1,-0.2 -1,-0.2 0.895 90.5 145.4 50.8 43.1 11.3 -7.5 15.4 91 91 A L - 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