==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-OCT-01 1GOK . 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) . 11267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 74.2 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 . 19 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.9 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 0.000 360.0 360.0 360.0 131.3 10.2 2.9 27.1 2 2 A A - 0 0 14 33,-0.2 287,-0.0 2,-0.1 0, 0.0 -0.682 360.0-126.8 -87.9 145.5 7.6 1.8 29.6 3 3 A A S S+ 0 0 106 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.884 96.0 64.4 -59.4 -40.3 8.7 -1.2 31.8 4 4 A Q S S- 0 0 93 4,-0.0 2,-0.6 -3,-0.0 -2,-0.1 -0.770 79.9-144.8 -91.5 125.6 5.6 -3.1 30.8 5 5 A S > - 0 0 11 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.784 8.2-159.1 -92.9 118.2 5.3 -4.1 27.1 6 6 A V H > S+ 0 0 0 -2,-0.6 4,-2.3 33,-0.3 5,-0.2 0.825 96.2 55.2 -64.1 -28.7 1.8 -4.1 25.6 7 7 A D H > S+ 0 0 15 32,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.942 108.6 46.1 -68.9 -45.9 3.2 -6.4 22.9 8 8 A Q H > S+ 0 0 141 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.920 115.4 48.3 -61.1 -42.7 4.4 -9.0 25.4 9 9 A L H X S+ 0 0 22 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.870 110.7 47.9 -68.0 -37.9 1.2 -8.8 27.3 10 10 A I H ><>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 3,-0.5 0.849 109.4 54.5 -73.8 -29.5 -1.1 -9.2 24.3 11 11 A K H ><5S+ 0 0 91 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.898 104.4 55.2 -65.9 -37.9 1.0 -12.2 23.1 12 12 A A H 3<5S+ 0 0 84 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.692 103.8 55.4 -67.4 -18.3 0.3 -13.7 26.6 13 13 A R T <<5S- 0 0 121 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.422 129.6 -97.5 -92.8 -0.7 -3.4 -13.2 25.9 14 14 A G T < 5S+ 0 0 64 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.512 82.8 124.1 100.7 5.2 -3.0 -15.2 22.6 15 15 A K < - 0 0 26 -5,-2.3 -1,-0.3 -8,-0.1 248,-0.2 -0.448 61.3-125.9 -93.4 171.1 -2.7 -12.5 20.0 16 16 A V S S- 0 0 55 246,-2.4 2,-0.3 1,-0.2 247,-0.2 0.898 71.8 -21.7 -85.9 -42.0 0.1 -12.0 17.5 17 17 A Y E -a 263 0A 0 245,-1.3 247,-1.4 -7,-0.1 2,-0.4 -0.996 30.9-146.0-164.2 164.7 1.3 -8.5 18.1 18 18 A F E +a 264 0A 0 -2,-0.3 23,-2.4 245,-0.2 24,-0.5 -0.956 46.8 164.0-134.9 112.4 0.8 -4.9 19.3 19 19 A G E -a 265 0A 0 245,-3.2 247,-2.5 -2,-0.4 2,-0.3 -0.563 27.2-138.5-125.2-169.7 2.7 -2.6 16.9 20 20 A V E -ab 266 43A 0 22,-2.1 24,-1.6 245,-0.3 2,-0.3 -0.980 23.7-107.9-151.3 156.2 3.2 0.9 15.7 21 21 A A E + b 0 44A 1 245,-1.7 2,-0.3 -2,-0.3 248,-0.1 -0.663 52.2 142.1 -85.1 143.1 3.8 2.9 12.5 22 22 A T E - b 0 45A 0 22,-2.5 24,-2.4 -2,-0.3 25,-0.3 -0.914 24.2-170.2-162.0-175.7 7.3 4.3 12.1 23 23 A D >> - 0 0 11 -2,-0.3 4,-2.6 22,-0.2 3,-1.2 -0.953 49.6 -72.3-174.1 173.9 10.0 5.0 9.5 24 24 A Q H 3> S+ 0 0 85 -2,-0.3 4,-1.7 1,-0.3 5,-0.1 0.855 124.5 56.5 -49.2 -45.3 13.7 6.0 9.3 25 25 A N H 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.831 113.7 40.4 -61.6 -29.5 13.1 9.6 10.3 26 26 A R H X4 S+ 0 0 54 -3,-1.2 3,-1.7 1,-0.2 7,-0.4 0.892 111.4 56.0 -82.8 -42.8 11.4 8.5 13.5 27 27 A L H 3< S+ 0 0 14 -4,-2.6 6,-0.3 1,-0.3 -2,-0.2 0.740 108.1 49.3 -61.9 -24.2 13.9 5.7 14.3 28 28 A T T 3< S+ 0 0 81 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.3 0.299 108.8 59.4 -99.6 9.6 16.9 8.1 14.1 29 29 A T S X S- 0 0 75 -3,-1.7 3,-1.0 -5,-0.1 4,-0.4 -0.946 97.6 -16.8-137.5 158.6 15.4 10.7 16.5 30 30 A G T 3 S- 0 0 66 -2,-0.3 3,-0.2 1,-0.2 4,-0.2 -0.080 106.2 -45.8 51.8-146.5 14.1 11.1 20.0 31 31 A K T 3> S+ 0 0 105 1,-0.1 4,-2.3 2,-0.1 -1,-0.2 0.232 100.6 112.7-103.3 11.6 13.2 7.9 22.0 32 32 A N H <> S+ 0 0 3 -3,-1.0 4,-2.6 -6,-0.3 5,-0.2 0.910 76.4 46.4 -51.0 -54.9 11.3 6.2 19.2 33 33 A A H > S+ 0 0 21 -7,-0.4 4,-2.7 -4,-0.4 -1,-0.2 0.911 113.1 50.4 -57.4 -44.3 13.6 3.3 18.6 34 34 A A H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 112.0 47.4 -61.0 -43.2 14.0 2.6 22.3 35 35 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.915 113.6 47.2 -66.3 -42.7 10.2 2.6 22.8 36 36 A I H X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.912 110.7 52.0 -66.8 -41.2 9.6 0.3 19.8 37 37 A Q H < S+ 0 0 93 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.927 120.9 33.1 -59.9 -44.0 12.3 -2.1 20.8 38 38 A A H < S+ 0 0 49 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.879 129.8 25.5 -82.1 -40.8 10.9 -2.5 24.3 39 39 A D H < S+ 0 0 0 -4,-3.0 -32,-1.6 -5,-0.2 -33,-0.3 0.597 110.0 54.0-106.6 -12.7 7.1 -2.1 24.0 40 40 A F < - 0 0 3 -4,-1.4 -21,-0.2 -5,-0.4 3,-0.1 -0.844 46.9-165.1-124.7 159.4 6.0 -3.1 20.5 41 41 A G S S+ 0 0 5 -23,-2.4 38,-2.6 -2,-0.3 2,-0.3 0.304 71.9 44.7-125.5 11.5 6.5 -6.2 18.4 42 42 A Q E - c 0 79A 0 -24,-0.5 -22,-2.1 36,-0.3 2,-0.3 -0.992 58.8-159.5-154.8 147.7 5.5 -5.0 14.9 43 43 A V E -bc 20 80A 0 36,-2.7 38,-2.0 -2,-0.3 -22,-0.2 -0.977 4.0-163.1-133.7 147.6 6.1 -2.0 12.7 44 44 A T E -b 21 0A 0 -24,-1.6 -22,-2.5 -2,-0.3 2,-0.3 -0.997 32.2-115.6-125.6 130.5 4.3 -0.5 9.7 45 45 A P E -b 22 0A 0 0, 0.0 -22,-0.2 0, 0.0 4,-0.1 -0.519 18.4-152.5 -68.7 127.1 6.1 2.0 7.4 46 46 A E S S- 0 0 19 -24,-2.4 -23,-0.1 -2,-0.3 -25,-0.0 0.900 82.0 -21.0 -67.0 -38.1 4.3 5.3 7.7 47 47 A N S > S+ 0 0 68 -25,-0.3 3,-1.7 3,-0.1 6,-0.3 0.547 110.5 92.5-144.3 -23.3 5.4 6.4 4.2 48 48 A S T 3 S+ 0 0 15 1,-0.3 18,-0.5 17,-0.1 17,-0.1 0.607 92.2 44.9 -62.1 -15.2 8.5 4.6 2.8 49 49 A M T 3 S+ 0 0 1 34,-0.5 -1,-0.3 -4,-0.1 2,-0.0 0.336 86.7 112.3-110.0 7.2 6.6 1.8 1.0 50 50 A K S <> S- 0 0 16 -3,-1.7 4,-2.2 1,-0.1 3,-0.4 -0.316 81.5-105.6 -74.8 163.9 3.9 4.0 -0.6 51 51 A W H > S+ 0 0 7 33,-0.3 4,-2.6 1,-0.2 40,-0.2 0.875 116.9 54.9 -59.6 -41.8 3.9 4.4 -4.4 52 52 A D H 4 S+ 0 0 62 38,-1.4 -1,-0.2 1,-0.2 39,-0.1 0.869 113.7 41.9 -62.7 -34.2 5.3 8.0 -4.4 53 53 A A H 4 S+ 0 0 38 -3,-0.4 -2,-0.2 -6,-0.3 -1,-0.2 0.861 122.2 37.7 -79.9 -36.6 8.3 6.9 -2.4 54 54 A T H < S+ 0 0 1 -4,-2.2 8,-2.1 1,-0.2 -2,-0.2 0.764 128.6 21.6 -90.9 -28.1 9.0 3.7 -4.2 55 55 A E < + 0 0 0 -4,-2.6 -1,-0.2 6,-0.2 6,-0.2 -0.454 61.6 157.6-140.4 66.1 8.3 4.3 -7.9 56 56 A P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.740 80.4 27.0 -60.8 -25.6 8.5 8.1 -8.5 57 57 A S B > S-I 60 0B 66 3,-0.7 3,-2.2 -3,-0.1 0, 0.0 -0.981 110.0 -86.1-134.6 142.9 9.1 7.4 -12.2 58 58 A Q T 3 S- 0 0 106 -2,-0.3 3,-0.0 1,-0.3 -3,-0.0 -0.242 111.0 -0.7 -55.2 129.5 7.9 4.3 -14.0 59 59 A G T 3 S+ 0 0 46 1,-0.1 2,-0.7 48,-0.1 -1,-0.3 0.487 105.5 107.2 71.0 2.2 10.3 1.4 -13.6 60 60 A N B < -I 57 0B 105 -3,-2.2 -3,-0.7 2,-0.0 2,-0.2 -0.774 56.0-169.6-113.4 83.9 12.8 3.6 -11.6 61 61 A F - 0 0 53 -2,-0.7 2,-0.5 -6,-0.2 -6,-0.2 -0.445 16.3-161.5 -80.8 147.3 12.4 2.2 -8.0 62 62 A N + 0 0 86 -8,-2.1 4,-0.2 -2,-0.2 3,-0.1 -0.973 18.7 163.6-127.6 112.1 13.7 3.7 -4.8 63 63 A F > + 0 0 25 -2,-0.5 4,-3.3 1,-0.1 5,-0.3 0.264 40.6 110.9-112.3 9.3 13.9 1.3 -1.9 64 64 A A H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.927 85.2 37.4 -50.7 -55.5 16.3 3.3 0.4 65 65 A G H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 -41,-0.2 0.902 118.5 49.0 -65.4 -42.4 13.7 4.2 3.0 66 66 A A H > S+ 0 0 1 -18,-0.5 4,-2.7 1,-0.2 5,-0.2 0.917 109.8 52.1 -63.6 -44.2 11.9 0.8 2.8 67 67 A D H X S+ 0 0 39 -4,-3.3 4,-2.8 1,-0.2 5,-0.3 0.896 105.9 55.6 -59.1 -41.5 15.2 -1.1 3.1 68 68 A Y H X S+ 0 0 83 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.945 111.9 42.1 -57.4 -49.4 16.1 0.9 6.2 69 69 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.919 114.4 49.5 -66.2 -45.0 12.9 -0.1 8.0 70 70 A V H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.931 113.9 46.1 -62.0 -43.3 12.9 -3.8 6.9 71 71 A N H X S+ 0 0 79 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.918 113.5 48.9 -65.5 -41.7 16.5 -4.2 8.0 72 72 A W H X S+ 0 0 28 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.932 112.3 48.6 -62.6 -45.2 15.9 -2.5 11.3 73 73 A A H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 4,-0.3 0.918 111.8 49.1 -61.0 -44.5 12.8 -4.6 11.9 74 74 A Q H ><5S+ 0 0 109 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.924 111.1 49.0 -61.9 -45.3 14.7 -7.8 11.1 75 75 A Q H 3<5S+ 0 0 162 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.792 117.0 42.6 -65.0 -28.9 17.6 -6.9 13.4 76 76 A N T 3<5S- 0 0 49 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.249 112.8-114.0-104.0 12.3 15.3 -6.1 16.2 77 77 A G T < 5 + 0 0 68 -3,-1.1 2,-0.4 -4,-0.3 -3,-0.2 0.809 62.9 148.2 62.2 35.0 12.9 -9.1 15.8 78 78 A K < - 0 0 32 -5,-2.7 -36,-0.3 -6,-0.2 -1,-0.2 -0.815 46.5-123.4-104.6 141.6 9.8 -7.0 14.8 79 79 A L E -c 42 0A 62 -38,-2.6 -36,-2.7 -2,-0.4 2,-0.4 -0.413 27.8-141.3 -73.4 156.7 7.1 -8.2 12.5 80 80 A I E -c 43 0A 3 42,-0.3 44,-1.4 -38,-0.2 45,-1.1 -0.968 13.7-162.7-126.8 137.0 6.4 -6.0 9.4 81 81 A R E -d 125 0A 1 -38,-2.0 2,-0.3 -2,-0.4 45,-0.2 -0.987 25.3-134.3-114.9 120.4 3.1 -5.0 7.7 82 82 A G E -d 126 0A 0 43,-3.0 45,-2.6 -2,-0.5 2,-0.3 -0.577 23.3-138.7 -74.6 138.4 3.8 -3.7 4.2 83 83 A H E -d 127 0A 3 -2,-0.3 -34,-0.5 1,-0.2 45,-0.1 -0.955 51.8 -17.0-151.4 119.5 1.8 -0.5 3.5 84 84 A T E + 0 0 2 43,-0.6 -33,-0.3 -2,-0.3 -1,-0.2 0.691 39.9 166.0-144.4 149.7 0.4 0.1 0.9 85 85 A L E S+ 0 0 1 42,-2.0 2,-0.6 1,-0.2 44,-0.2 0.947 81.8 29.8 -80.9 -53.4 0.4 -1.1 -2.7 86 86 A V E S+d 129 0A 2 42,-2.2 44,-2.5 41,-0.3 2,-0.3 -0.950 74.8 136.5-116.2 116.0 -2.7 0.2 -4.4 87 87 A W - 0 0 33 -2,-0.6 44,-0.1 42,-0.2 -36,-0.1 -0.980 50.5-136.9-155.4 146.0 -4.1 3.5 -3.1 88 88 A H S S+ 0 0 56 42,-0.4 3,-0.5 -2,-0.3 2,-0.2 0.706 85.6 74.0 -81.2 -20.5 -5.4 6.7 -4.8 89 89 A S S S+ 0 0 42 1,-0.2 -38,-0.2 -38,-0.0 -2,-0.1 -0.522 96.9 21.6 -90.5 162.9 -3.5 9.1 -2.5 90 90 A Q S S+ 0 0 68 1,-0.2 -38,-1.4 -2,-0.2 -1,-0.2 0.893 89.6 150.3 46.0 45.8 0.3 9.7 -2.6 91 91 A L - 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