==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-10 3O2L . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOASCUS AURANTIACUS; . AUTHOR L.M.THOMAS,H.K.PRIVETT,S.L.MAYO . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 15.0 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 . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 0 0 0 4 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 0 A A > 0 0 117 0, 0.0 3,-1.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 166.1 -3.4 33.5 19.2 2 1 A E G > + 0 0 144 1,-0.3 3,-2.3 2,-0.2 301,-0.0 0.912 360.0 62.5 -63.7 -44.8 -0.4 31.2 19.6 3 2 A A G 3 S+ 0 0 101 1,-0.3 -1,-0.3 297,-0.0 296,-0.1 0.689 100.0 57.6 -49.8 -23.0 -2.4 29.0 21.9 4 3 A A G < S+ 0 0 78 -3,-1.4 -1,-0.3 2,-0.0 2,-0.2 0.340 78.0 115.6 -98.2 6.6 -4.7 28.4 18.9 5 4 A Q < - 0 0 56 -3,-2.3 2,-0.1 1,-0.1 298,-0.1 -0.593 60.7-125.8 -84.5 139.5 -2.3 27.0 16.3 6 5 A S > - 0 0 15 -2,-0.2 4,-2.1 33,-0.2 5,-0.2 -0.446 15.4-125.5 -65.9 150.6 -2.5 23.4 15.0 7 6 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.901 116.1 50.0 -65.2 -37.0 0.3 20.9 15.1 8 7 A D H > S+ 0 0 19 32,-1.8 4,-2.3 1,-0.2 5,-0.2 0.946 110.6 47.8 -69.1 -41.4 -0.1 20.5 11.3 9 8 A Q H > S+ 0 0 91 31,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.868 116.4 45.4 -61.3 -36.1 -0.1 24.3 10.7 10 9 A L H X S+ 0 0 8 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.871 109.6 50.9 -79.2 -38.8 3.0 24.6 12.9 11 10 A I H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 -2,-0.2 0.907 111.5 50.8 -70.8 -35.3 5.0 21.7 11.4 12 11 A K H ><5S+ 0 0 87 -4,-2.3 3,-2.3 -5,-0.3 -2,-0.2 0.942 106.3 54.6 -59.4 -46.1 4.3 23.2 8.0 13 12 A A H 3<5S+ 0 0 80 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.836 104.5 56.0 -55.1 -31.9 5.5 26.6 9.2 14 13 A R T 3<5S- 0 0 76 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.375 130.2 -92.6 -84.1 6.7 8.8 24.8 10.2 15 14 A G T < 5S+ 0 0 68 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.482 84.9 124.8 100.3 0.9 9.4 23.4 6.7 16 15 A K < - 0 0 24 -5,-2.5 -1,-0.3 -6,-0.2 248,-0.2 -0.413 60.9-127.8 -96.0 172.6 7.7 20.0 6.9 17 16 A V S S- 0 0 40 246,-2.6 2,-0.3 1,-0.3 247,-0.2 0.864 71.5 -25.7 -90.6 -38.4 5.0 18.4 4.8 18 17 A Y E -a 264 0A 2 245,-1.3 247,-1.5 -7,-0.1 2,-0.4 -0.997 30.5-142.9-167.6 161.9 2.3 17.3 7.3 19 18 A F E +a 265 0A 0 -2,-0.3 23,-2.2 245,-0.2 24,-0.4 -0.970 49.7 162.2-131.5 114.8 1.3 16.2 10.8 20 19 A G E -a 266 0A 0 245,-3.7 247,-2.3 -2,-0.4 2,-0.3 -0.536 28.1-134.8-130.6-167.8 -1.4 13.6 10.2 21 20 A V E -ab 267 44A 0 22,-1.8 24,-1.5 245,-0.3 2,-0.3 -0.995 22.2-109.5-156.4 147.2 -3.3 10.7 11.7 22 21 A M E + b 0 45A 5 245,-2.3 2,-0.2 -2,-0.3 248,-0.2 -0.610 53.7 143.2 -80.6 134.0 -4.6 7.2 11.0 23 22 A T E - b 0 46A 2 22,-2.9 24,-2.9 -2,-0.3 25,-0.3 -0.854 26.7-165.7-155.7-174.3 -8.3 7.0 10.5 24 23 A D >> - 0 0 8 -2,-0.2 4,-3.0 22,-0.2 3,-1.1 -0.956 48.0 -79.1-175.1 169.0 -11.2 5.4 8.6 25 24 A Q H 3> S+ 0 0 80 -2,-0.3 4,-1.8 1,-0.3 5,-0.1 0.850 122.9 58.9 -50.8 -42.4 -14.9 5.7 7.9 26 25 A N H 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.866 114.3 36.4 -57.2 -38.4 -15.9 4.3 11.3 27 26 A R H X4 S+ 0 0 63 -3,-1.1 3,-1.8 1,-0.2 7,-0.4 0.874 112.9 58.4 -76.9 -44.1 -14.0 7.0 13.2 28 27 A L H 3< S+ 0 0 10 -4,-3.0 6,-0.3 1,-0.3 -2,-0.2 0.777 108.5 44.9 -62.8 -24.6 -14.8 9.7 10.7 29 28 A T T 3< S+ 0 0 83 -4,-1.8 2,-0.3 -5,-0.3 -1,-0.3 0.176 110.0 66.5-106.8 14.2 -18.6 9.2 11.2 30 29 A T S X S- 0 0 66 -3,-1.8 3,-1.2 -5,-0.1 4,-0.4 -0.934 97.5 -19.3-130.0 155.4 -18.4 9.0 15.0 31 30 A G T 3 S- 0 0 64 -2,-0.3 3,-0.2 1,-0.2 4,-0.2 -0.022 108.6 -46.6 55.1-142.2 -17.6 11.3 18.0 32 31 A K T 3> S+ 0 0 130 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.187 99.6 115.9-112.0 16.5 -15.5 14.4 17.1 33 32 A N H <> S+ 0 0 2 -3,-1.2 4,-3.0 -6,-0.4 5,-0.2 0.898 75.5 46.7 -47.1 -54.5 -12.9 12.7 14.9 34 33 A A H > S+ 0 0 20 -4,-0.4 4,-3.1 -7,-0.4 5,-0.2 0.932 112.4 50.1 -63.4 -42.2 -13.7 14.4 11.6 35 34 A A H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 113.8 46.2 -63.4 -42.6 -13.9 17.9 13.2 36 35 A I H X S+ 0 0 21 -4,-2.3 4,-3.2 2,-0.2 5,-0.5 0.942 113.6 48.0 -64.5 -47.2 -10.5 17.3 14.9 37 36 A I H X S+ 0 0 0 -4,-3.0 4,-1.6 -5,-0.2 -2,-0.2 0.941 111.5 50.3 -62.2 -46.0 -8.9 15.9 11.8 38 37 A Q H < S+ 0 0 89 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.902 121.3 34.9 -51.2 -44.3 -10.2 18.8 9.6 39 38 A A H < S+ 0 0 65 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.854 129.5 25.6 -85.7 -35.4 -8.9 21.4 12.1 40 39 A D H < S+ 0 0 34 -4,-3.2 -32,-1.8 -5,-0.2 2,-0.3 0.677 109.2 56.1-106.7 -20.1 -5.6 19.9 13.4 41 40 A F < - 0 0 2 -4,-1.6 -21,-0.2 -5,-0.5 -1,-0.1 -0.894 46.9-163.7-125.4 146.9 -4.1 17.5 10.9 42 41 A G S S+ 0 0 4 -23,-2.2 38,-2.3 -2,-0.3 2,-0.3 0.276 73.4 39.1-106.4 7.7 -3.0 17.6 7.3 43 42 A Q E - c 0 80A 0 -24,-0.4 -22,-1.8 36,-0.3 2,-0.3 -0.987 58.9-158.6-164.6 141.3 -2.8 14.0 6.3 44 43 A V E -bc 21 81A 0 36,-2.6 38,-2.1 -2,-0.3 -22,-0.2 -0.978 3.9-162.3-133.2 151.5 -4.5 10.7 6.9 45 44 A T E -b 22 0A 0 -24,-1.5 -22,-2.9 -2,-0.3 2,-0.4 -0.994 32.9-114.6-126.3 132.0 -3.7 7.0 6.6 46 45 A P E -b 23 0A 0 0, 0.0 -22,-0.2 0, 0.0 4,-0.2 -0.583 20.7-153.1 -70.7 122.3 -6.4 4.3 6.4 47 46 A M S S- 0 0 50 -24,-2.9 -23,-0.1 -2,-0.4 -25,-0.0 0.879 80.4 -19.8 -59.3 -40.2 -6.2 2.3 9.6 48 47 A N S > S+ 0 0 65 -25,-0.3 3,-1.8 3,-0.1 6,-0.3 0.549 111.1 90.7-140.8 -25.5 -7.7 -0.9 8.0 49 48 A S T 3 S+ 0 0 16 1,-0.3 18,-0.5 17,-0.1 19,-0.1 0.602 93.1 44.9 -70.9 -17.1 -9.7 -0.2 4.9 50 49 A M T 3 S+ 0 0 1 34,-0.5 -1,-0.3 -4,-0.2 2,-0.0 0.328 86.8 112.1-105.7 7.5 -6.7 -0.7 2.4 51 50 A K S <> S- 0 0 18 -3,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.325 80.4-106.8 -76.4 164.4 -5.2 -3.9 3.9 52 51 A W H > S+ 0 0 6 38,-0.3 4,-3.1 33,-0.2 40,-0.2 0.908 116.6 53.9 -60.7 -48.8 -5.3 -7.1 2.0 53 52 A D H 4 S+ 0 0 68 38,-2.3 -1,-0.2 1,-0.2 39,-0.1 0.915 115.6 43.4 -53.6 -38.5 -8.0 -8.9 4.1 54 53 A A H 4 S+ 0 0 36 -6,-0.3 -1,-0.2 37,-0.2 -2,-0.2 0.842 122.1 34.3 -74.4 -37.7 -10.3 -5.8 3.5 55 54 A T H < S+ 0 0 0 -4,-2.1 8,-2.2 1,-0.2 -2,-0.2 0.742 128.3 26.5-100.5 -20.6 -9.6 -5.2 -0.2 56 55 A E < + 0 0 0 -4,-3.1 -1,-0.2 6,-0.2 6,-0.2 -0.529 60.6 160.5-140.3 67.3 -9.1 -8.7 -1.7 57 56 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.775 77.5 23.5 -64.4 -26.1 -11.0 -11.2 0.4 58 57 A S B > S-I 61 0B 56 3,-0.8 3,-2.1 -3,-0.1 38,-0.0 -0.969 111.0 -75.7-136.1 152.8 -11.0 -13.8 -2.4 59 58 A Q T 3 S- 0 0 120 -2,-0.3 3,-0.0 1,-0.3 49,-0.0 -0.181 112.2 -5.9 -54.9 123.3 -8.5 -13.9 -5.3 60 59 A G T 3 S+ 0 0 38 1,-0.1 2,-0.8 48,-0.1 -1,-0.3 0.317 105.4 108.0 84.7 -9.5 -9.2 -11.2 -7.9 61 60 A N B < -I 58 0B 104 -3,-2.1 -3,-0.8 -5,-0.0 2,-0.2 -0.821 54.5-167.2-110.3 97.1 -12.4 -10.0 -6.3 62 61 A F - 0 0 46 -2,-0.8 2,-0.4 -6,-0.2 -6,-0.2 -0.465 15.2-158.1 -91.9 151.8 -11.7 -6.6 -4.8 63 62 A N + 0 0 91 -8,-2.2 4,-0.2 -2,-0.2 -2,-0.0 -0.992 18.2 165.1-127.0 122.1 -13.7 -4.6 -2.3 64 63 A F > + 0 0 24 -2,-0.4 4,-3.4 2,-0.1 5,-0.3 0.323 38.8 111.7-119.4 9.3 -13.1 -0.8 -2.1 65 64 A A H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.937 87.5 36.4 -47.4 -64.6 -16.1 0.6 -0.2 66 65 A G H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -41,-0.2 0.898 118.8 50.2 -54.4 -46.9 -14.2 1.7 3.0 67 66 A A H > S+ 0 0 1 -18,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.925 109.7 50.4 -65.9 -45.4 -11.0 2.7 1.1 68 67 A D H X S+ 0 0 51 -4,-3.4 4,-2.3 1,-0.2 5,-0.3 0.844 108.2 53.4 -61.2 -36.8 -13.0 4.9 -1.3 69 68 A Y H X S+ 0 0 76 -4,-1.9 4,-3.2 -5,-0.3 5,-0.2 0.960 111.6 45.5 -58.4 -52.7 -14.7 6.6 1.6 70 69 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.933 114.3 47.8 -54.4 -50.4 -11.4 7.5 3.2 71 70 A V H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.907 115.4 44.2 -62.9 -47.6 -9.8 8.7 -0.1 72 71 A N H X S+ 0 0 74 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.951 112.7 51.1 -64.6 -48.3 -12.8 10.9 -1.0 73 72 A W H X S+ 0 0 25 -4,-3.2 4,-1.0 -5,-0.3 -2,-0.2 0.947 112.9 47.9 -51.2 -49.8 -13.2 12.3 2.5 74 73 A A H ><>S+ 0 0 0 -4,-3.0 5,-2.5 -5,-0.2 3,-0.7 0.924 112.1 48.6 -55.7 -47.5 -9.5 13.1 2.4 75 74 A Q H ><5S+ 0 0 94 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.943 112.1 47.4 -63.2 -45.4 -9.8 14.7 -1.1 76 75 A Q H 3<5S+ 0 0 143 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.647 116.1 46.1 -70.9 -9.9 -12.8 16.9 -0.1 77 76 A N T <<5S- 0 0 48 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.222 112.3-114.8-113.5 9.9 -11.1 18.0 3.1 78 77 A G T < 5 + 0 0 68 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.743 64.3 146.4 68.2 22.7 -7.6 18.8 1.6 79 78 A K < - 0 0 34 -5,-2.5 -36,-0.3 -6,-0.2 -1,-0.2 -0.797 48.6-124.0 -97.3 135.5 -5.8 16.0 3.4 80 79 A L E -c 43 0A 61 -38,-2.3 -36,-2.6 -2,-0.4 2,-0.4 -0.334 28.6-136.7 -62.5 152.2 -2.8 14.2 2.0 81 80 A I E -c 44 0A 4 42,-0.3 44,-1.3 -38,-0.2 45,-1.2 -0.969 14.7-163.0-120.4 137.4 -3.2 10.4 1.9 82 81 A R E -d 126 0A 0 -38,-2.1 45,-0.2 -2,-0.4 2,-0.2 -0.985 24.1-139.1-110.8 118.0 -0.7 7.7 2.8 83 82 A G E -d 127 0A 0 43,-2.7 45,-2.8 -2,-0.6 2,-0.3 -0.547 24.2-137.8 -78.0 142.1 -1.9 4.4 1.3 84 83 A H E -d 128 0A 3 1,-0.2 -34,-0.5 -2,-0.2 45,-0.1 -0.921 48.5 -9.6-162.6 121.4 -1.4 1.5 3.7 85 84 A T E + 0 0 12 43,-0.5 -33,-0.2 -2,-0.3 -1,-0.2 0.686 41.0 162.2-137.9 153.3 -0.4 -1.3 3.3 86 85 A L E S+ 0 0 2 42,-2.4 2,-0.4 1,-0.3 44,-0.2 0.909 77.4 18.7 -87.9 -48.3 0.3 -3.5 0.2 87 86 A V E S+d 130 0A 0 42,-1.3 44,-2.4 41,-0.3 2,-0.3 -0.988 79.0 116.2-129.2 119.1 2.5 -6.5 1.2 88 87 A G - 0 0 13 -2,-0.4 44,-0.1 42,-0.2 -36,-0.1 -0.956 62.3-111.6-170.6 172.2 2.9 -7.7 4.8 89 88 A H S > S+ 0 0 47 42,-0.4 3,-0.5 -2,-0.3 2,-0.2 0.680 91.4 73.1 -96.5 -19.3 2.1 -10.8 6.9 90 89 A F T 3 S+ 0 0 130 1,-0.2 -38,-0.3 -38,-0.0 -37,-0.1 -0.634 101.1 23.2 -87.4 153.2 -0.7 -9.4 9.2 91 90 A Y T 3 S+ 0 0 109 1,-0.2 -38,-2.3 -2,-0.2 -1,-0.2 0.829 89.4 139.1 63.4 31.9 -4.2 -8.8 7.7 92 91 A L < - 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