==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-NOV-09 3KST . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 581 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 225 38.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 . 5 0.9 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 . 42 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 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 RESIDUES PER ALPHA HELIX . 2 1 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 0 0 PARALLEL BRIDGES PER LADDER . 9 4 3 0 8 6 9 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 . 0 0 3 5 2 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 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 40 A S 0 0 113 0, 0.0 290,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 158.1 14.7 19.4 7.9 2 41 A V E +A 290 0A 66 288,-0.2 288,-0.3 1,-0.2 3,-0.1 -0.661 360.0 178.4 -90.5 128.1 17.7 21.5 8.9 3 42 A E E S- 0 0 73 286,-2.8 2,-0.3 1,-0.4 287,-0.2 0.863 80.3 -13.1 -85.8 -51.0 17.5 24.3 11.6 4 43 A T E -A 289 0A 36 285,-1.9 285,-2.7 2,-0.1 -1,-0.4 -0.988 52.6-132.8-149.3 148.7 21.2 25.0 11.3 5 44 A N S S+ 0 0 103 -2,-0.3 2,-0.3 283,-0.2 285,-0.1 0.167 92.5 53.6 -82.4 16.6 24.3 23.4 9.7 6 45 A Y S S- 0 0 75 283,-0.1 283,-0.4 260,-0.0 -2,-0.1 -0.879 87.5-113.3-139.8 167.6 26.2 24.0 12.9 7 46 A L B -F 265 0B 0 258,-0.6 2,-2.5 -2,-0.3 258,-2.5 -0.920 40.2-146.3-103.7 100.9 25.9 23.3 16.7 8 47 A P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 256,-0.2 -0.236 55.5 99.4 -80.7 59.1 25.5 26.9 17.7 9 48 A I - 0 0 1 -2,-2.5 2,-0.2 253,-0.1 18,-0.2 -0.935 52.9-147.4-134.5 156.8 27.3 27.0 21.1 10 49 A A E S+B 26 0A 3 16,-2.3 16,-2.7 -2,-0.3 255,-0.1 -0.658 80.4 28.1-108.9 171.6 30.6 28.0 22.6 11 50 A D E S- 0 0 13 -2,-0.2 -1,-0.2 14,-0.2 226,-0.2 0.846 90.5-157.9 46.0 45.0 32.4 26.4 25.6 12 51 A P E - 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.142 21.5-175.5 -63.8 147.9 30.7 23.1 24.9 13 52 A Y E -B 24 0A 37 11,-1.9 11,-2.4 238,-0.1 2,-0.4 -0.983 7.6-158.8-137.0 136.5 30.1 20.2 27.3 14 53 A V E -B 23 0A 2 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.955 2.5-167.0-118.3 127.2 28.6 16.7 26.5 15 54 A X E -B 22 0A 13 7,-2.7 7,-2.3 -2,-0.4 2,-0.7 -0.955 12.1-150.2-107.4 129.6 27.0 14.4 29.1 16 55 A F E +B 21 0A 54 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.920 32.1 162.6 -99.0 109.9 26.4 10.8 27.9 17 56 A Y E > -B 20 0A 71 3,-2.5 3,-1.0 -2,-0.7 -2,-0.1 -0.999 58.6 -11.9-134.6 134.8 23.3 9.7 30.0 18 57 A N T 3 S- 0 0 139 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.878 127.0 -51.0 39.7 58.7 21.0 6.7 29.3 19 58 A N T 3 S+ 0 0 60 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.783 120.2 103.0 56.9 33.8 22.2 6.0 25.8 20 59 A K E < -B 17 0A 51 -3,-1.0 -3,-2.5 22,-0.0 2,-0.3 -0.993 66.1-132.0-149.3 133.9 21.8 9.6 24.7 21 60 A Y E -BC 16 40A 6 19,-2.7 19,-1.8 -2,-0.3 2,-0.4 -0.715 20.3-166.9 -86.4 137.2 24.3 12.6 24.2 22 61 A Y E -BC 15 39A 30 -7,-2.3 -7,-2.7 -2,-0.3 2,-0.4 -0.993 2.8-162.8-129.0 120.8 23.4 15.9 25.8 23 62 A A E +BC 14 38A 0 15,-3.1 15,-2.2 -2,-0.4 2,-0.3 -0.878 10.2 176.2-108.8 137.3 25.2 19.1 24.8 24 63 A Y E +B 13 0A 1 -11,-2.4 -11,-1.9 -2,-0.4 2,-0.3 -0.994 15.1 146.5-135.9 136.1 25.2 22.4 26.8 25 64 A G E - 0 0 1 11,-0.4 2,-0.5 -2,-0.3 11,-0.4 -0.900 50.8 -63.5-152.5-175.7 27.2 25.5 26.0 26 65 A T E S-B 10 0A 18 -16,-2.7 -16,-2.3 -2,-0.3 39,-0.1 -0.684 97.0 -14.2 -77.4 122.4 27.5 29.3 25.9 27 66 A G S S+ 0 0 30 7,-0.5 9,-0.5 37,-0.5 -2,-0.3 -0.254 74.9 110.7 83.0-170.6 24.8 30.9 23.8 28 67 A G + 0 0 25 1,-0.2 -1,-0.1 7,-0.1 -19,-0.1 0.654 52.1 154.1 72.3 17.8 22.5 29.4 21.2 29 68 A T - 0 0 50 5,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.384 31.7-171.4 -75.8 153.6 19.5 30.0 23.5 30 69 A T S S+ 0 0 98 -3,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.426 80.5 47.8-120.7 -7.9 16.0 30.5 22.0 31 70 A A S S- 0 0 63 1,-0.5 2,-0.1 19,-0.1 -1,-0.0 -0.266 116.5 -77.4-131.5 50.1 14.1 31.5 25.2 32 71 A G S S- 0 0 46 22,-0.1 -1,-0.5 -3,-0.1 -2,-0.1 -0.297 82.0 -11.1 93.1-173.5 16.2 34.2 26.8 33 72 A E S S+ 0 0 103 28,-0.1 22,-1.7 -3,-0.1 2,-0.4 -0.239 100.3 53.7 -58.6 145.3 19.4 34.4 28.9 34 73 A G E S- D 0 54A 3 20,-0.2 -7,-0.5 30,-0.2 2,-0.4 -0.991 90.2 -40.8 132.4-139.2 20.7 31.0 30.2 35 74 A F E - D 0 53A 0 18,-2.0 18,-2.0 -2,-0.4 17,-0.5 -0.996 36.7-146.3-136.0 141.0 21.5 27.7 28.6 36 75 A A E - D 0 51A 2 -9,-0.5 2,-0.4 -11,-0.4 -11,-0.4 -0.504 14.4-138.5 -90.0 166.9 20.0 25.5 25.9 37 76 A C E - D 0 50A 0 13,-1.9 12,-2.9 -2,-0.2 13,-0.9 -0.998 17.4-173.6-125.3 128.6 20.0 21.7 25.9 38 77 A F E -CD 23 48A 0 -15,-2.2 -15,-3.1 -2,-0.4 2,-0.3 -0.963 6.5-161.7-117.5 142.8 20.7 19.7 22.7 39 78 A S E +CD 22 47A 1 8,-3.1 8,-2.9 -2,-0.4 2,-0.3 -0.909 9.1 178.6-123.5 159.6 20.5 15.9 22.4 40 79 A S E -CD 21 46A 3 -19,-1.8 -19,-2.7 -2,-0.3 6,-0.1 -0.992 29.7-159.2-157.0 148.5 21.8 13.4 19.9 41 80 A D S S+ 0 0 96 4,-0.5 5,-0.1 -2,-0.3 -1,-0.1 0.658 101.5 20.8 -94.9 -25.5 21.9 9.6 19.1 42 81 A D S S- 0 0 83 3,-0.5 4,-0.1 -21,-0.1 -22,-0.0 0.337 96.6-116.9-130.6 -0.1 25.0 9.8 16.8 43 82 A L S S+ 0 0 7 2,-0.3 3,-0.1 1,-0.1 224,-0.0 0.195 104.9 71.4 75.4 -12.9 26.9 13.1 17.5 44 83 A K S S+ 0 0 88 1,-0.2 244,-2.4 243,-0.1 2,-0.5 0.866 94.4 47.7 -94.5 -50.9 26.3 14.4 14.0 45 84 A N E S- e 0 288A 44 242,-0.2 -3,-0.5 244,-0.1 -4,-0.5 -0.867 71.4-176.0-102.4 121.5 22.6 15.2 14.2 46 85 A W E -De 40 289A 2 242,-2.2 244,-2.6 -2,-0.5 2,-0.4 -0.860 10.0-159.8-115.4 147.9 21.4 17.1 17.2 47 86 A K E -D 39 0A 118 -8,-2.9 -8,-3.1 -2,-0.3 2,-0.2 -0.977 26.4-111.9-124.9 145.9 17.9 18.2 18.3 48 87 A R E -D 38 0A 51 242,-0.5 -10,-0.2 -2,-0.4 3,-0.1 -0.542 23.6-173.9 -73.9 134.9 16.9 21.0 20.7 49 88 A E E - 0 0 66 -12,-2.9 2,-0.3 1,-0.4 -11,-0.2 0.612 48.7-101.2-100.4 -16.0 15.4 19.9 24.0 50 89 A G E -D 37 0A 32 -13,-0.9 -13,-1.9 3,-0.0 2,-1.0 -0.897 60.9 -27.8 129.6-163.9 14.6 23.4 25.2 51 90 A Q E -D 36 0A 29 -2,-0.3 -15,-0.3 -15,-0.2 3,-0.1 -0.812 47.9-170.3 -96.6 97.7 15.9 25.9 27.7 52 91 A A E S+ 0 0 0 -2,-1.0 48,-3.5 -17,-0.5 2,-0.4 0.861 77.5 17.6 -51.3 -45.8 17.9 24.0 30.3 53 92 A L E -D 35 0A 1 -18,-2.0 -18,-2.0 46,-0.2 2,-0.4 -0.998 67.4-159.3-138.2 130.6 18.3 27.1 32.5 54 93 A S E > -D 34 0A 37 46,-0.5 3,-1.5 -2,-0.4 -20,-0.2 -0.867 27.5-124.7-105.3 140.8 16.4 30.4 32.4 55 94 A A G > S+ 0 0 19 -22,-1.7 3,-2.0 -2,-0.4 -21,-0.1 0.836 108.1 63.7 -54.4 -38.8 18.0 33.5 33.9 56 95 A T G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -23,-0.2 4,-0.1 0.770 100.4 53.7 -58.6 -28.3 14.9 34.1 36.2 57 96 A D G < S+ 0 0 40 -3,-1.5 45,-2.2 43,-0.1 2,-0.3 0.290 112.2 52.8 -87.6 12.0 15.7 30.8 38.0 58 97 A S S < S- 0 0 8 -3,-2.0 2,-0.2 2,-0.2 47,-0.2 -0.906 93.5 -85.1-143.4 164.3 19.3 31.8 38.6 59 98 A Y S S+ 0 0 44 -2,-0.3 47,-0.1 47,-0.2 -2,-0.1 -0.512 91.9 19.6 -60.6 136.1 21.6 34.4 40.1 60 99 A G - 0 0 13 45,-0.2 -2,-0.2 -2,-0.2 3,-0.1 0.269 58.6-127.9 87.2 161.8 22.2 37.0 37.4 61 100 A T S S+ 0 0 99 1,-0.1 2,-0.3 -5,-0.0 -28,-0.1 0.452 84.9 28.5-125.2 -3.3 20.9 38.5 34.2 62 101 A W S S+ 0 0 109 1,-0.1 23,-2.1 -7,-0.1 -1,-0.1 -0.935 92.2 48.3-151.7 167.6 23.9 38.4 31.8 63 102 A G + 0 0 10 -2,-0.3 2,-1.2 21,-0.2 23,-0.5 0.874 52.9 174.4 65.2 37.0 27.1 36.4 31.2 64 103 A F + 0 0 9 20,-0.2 -37,-0.5 -3,-0.1 2,-0.3 -0.702 26.2 159.7 -76.0 98.5 25.6 32.8 31.2 65 104 A W E +J 83 0C 79 18,-1.4 18,-2.2 -2,-1.2 50,-0.1 -0.902 34.9 6.5-125.4 154.5 28.8 31.0 30.2 66 105 A A E - 0 0 1 -2,-0.3 -1,-0.1 16,-0.2 50,-0.1 0.842 65.4-169.7 52.0 55.6 30.5 27.6 30.2 67 106 A P E - 0 0 1 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.390 8.6-173.3 -74.2 146.5 27.9 25.2 31.6 68 107 A E E -J 81 0C 5 13,-1.8 13,-2.7 -2,-0.1 2,-0.4 -0.972 6.8-159.5-134.6 140.4 28.7 21.6 32.6 69 108 A V E +J 80 0C 0 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.985 11.0 178.3-124.5 137.2 26.0 19.0 33.6 70 109 A Y E -J 79 0C 29 9,-2.2 9,-2.8 -2,-0.4 2,-0.7 -0.998 29.8-134.4-140.8 138.4 26.5 15.8 35.6 71 110 A Y E -J 78 0C 54 -2,-0.4 2,-0.8 7,-0.2 7,-0.2 -0.849 28.7-150.0 -89.3 114.6 24.3 13.1 36.9 72 111 A V E >>> -J 77 0C 4 5,-2.5 4,-1.5 -2,-0.7 5,-1.0 -0.838 8.9-162.2 -94.5 109.2 25.5 12.7 40.5 73 112 A E T 345S+ 0 0 128 -2,-0.8 3,-0.2 1,-0.2 -1,-0.2 0.854 89.9 58.9 -55.5 -43.2 25.0 9.1 41.6 74 113 A S T 345S+ 0 0 105 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.833 119.3 28.4 -50.8 -43.3 25.4 10.1 45.3 75 114 A K T <45S- 0 0 66 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.467 95.9-134.4-101.5 -9.5 22.4 12.5 45.0 76 115 A K T <5S+ 0 0 142 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.889 73.3 95.4 47.8 51.9 20.3 10.8 42.2 77 116 A K E S- K 0 87C 0 3,-2.4 3,-1.4 -2,-0.3 -21,-0.2 -0.922 74.5 -8.1-152.6 126.8 26.7 34.1 35.5 85 124 A E T 3 S- 0 0 48 -23,-2.1 -22,-0.1 -2,-0.3 3,-0.1 0.836 129.2 -58.3 48.8 39.7 27.8 37.7 35.8 86 125 A E T 3 S+ 0 0 59 -23,-0.5 27,-2.3 1,-0.2 2,-0.3 0.762 117.4 108.5 62.0 30.9 31.4 36.5 36.2 87 126 A H E < S-K 84 0C 27 -3,-1.4 -3,-2.4 25,-0.3 2,-0.4 -0.938 70.7-114.4-128.8 153.8 30.5 34.4 39.3 88 127 A I E +K 83 0C 0 23,-0.4 20,-2.8 -2,-0.3 21,-0.5 -0.761 39.5 174.1 -95.3 140.0 30.3 30.6 39.6 89 128 A C E -K 82 0C 0 -7,-2.9 -7,-2.6 -2,-0.4 2,-0.4 -0.908 22.2-146.9-142.2 161.4 26.9 28.9 40.3 90 129 A V E +K 81 0C 7 16,-0.4 2,-0.3 -2,-0.3 -9,-0.2 -1.000 15.1 174.5-139.8 135.3 25.1 25.6 40.6 91 130 A A E -K 80 0C 2 -11,-2.3 -11,-2.7 -2,-0.4 2,-0.3 -0.825 17.1-140.6-128.2 162.7 21.6 24.6 39.8 92 131 A T E -KL 79 101C 41 9,-2.2 9,-2.3 -2,-0.3 2,-0.3 -0.931 14.6-178.6-129.5 160.8 19.8 21.3 39.8 93 132 A S E -K 78 0C 6 -15,-2.0 -15,-2.6 -2,-0.3 7,-0.1 -0.983 31.4-138.6-149.9 150.4 17.3 19.3 37.8 94 133 A T S S+ 0 0 115 -2,-0.3 6,-0.1 5,-0.3 -15,-0.1 0.608 94.1 44.8 -82.6 -14.3 15.6 15.9 38.1 95 134 A T S > S- 0 0 40 4,-0.1 3,-0.6 -17,-0.1 -17,-0.1 -0.873 85.4-117.1-126.9 160.0 16.1 15.4 34.3 96 135 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.864 113.5 48.3 -60.7 -36.4 18.9 16.0 31.7 97 136 A E T 3 S- 0 0 66 1,-0.3 3,-0.2 2,-0.1 -60,-0.1 0.564 102.1-178.9 -82.6 -14.2 17.0 18.7 29.8 98 137 A G < - 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