==== 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-MAR-11 3QZ4 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 612 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 218 35.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 38 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 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 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 PARALLEL BRIDGES PER LADDER . 12 8 2 6 1 3 6 2 0 2 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 2 4 2 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 28 A S 0 0 166 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -40.5 35.7 -4.4 20.1 2 29 A G + 0 0 58 3,-0.0 0, 0.0 285,-0.0 0, 0.0 -0.434 360.0 77.5 64.3-111.7 35.3 -8.0 21.1 3 30 A N S S+ 0 0 7 303,-1.0 284,-0.1 -2,-0.4 2,-0.1 -0.566 73.8 47.0 -82.9 144.7 35.2 -8.6 25.0 4 31 A P - 0 0 49 0, 0.0 283,-0.3 0, 0.0 4,-0.1 0.590 62.1-177.1 -79.2 153.2 33.1 -8.2 27.1 5 32 A I + 0 0 21 281,-1.9 47,-0.3 -2,-0.1 282,-0.2 0.646 68.8 59.1 -90.1 -21.5 30.2 -9.9 25.2 6 33 A L S S- 0 0 2 280,-1.2 280,-0.2 2,-0.1 4,-0.1 -0.921 87.9-122.2-108.9 137.3 27.6 -9.2 27.9 7 34 A P S S+ 0 0 88 0, 0.0 279,-0.1 0, 0.0 -2,-0.1 -0.290 70.9 0.3 -74.2 163.9 26.8 -5.6 28.9 8 35 A G S S- 0 0 48 1,-0.1 2,-0.6 277,-0.1 278,-0.2 -0.109 112.9 -22.3 61.1-150.4 27.1 -4.4 32.5 9 36 A F S S+ 0 0 65 22,-0.3 22,-1.7 276,-0.1 2,-0.3 -0.866 70.6 146.6-108.4 115.9 28.2 -6.5 35.4 10 37 A H E +A 30 0A 5 274,-1.3 2,-0.3 -2,-0.6 20,-0.2 -0.971 15.8 176.9-144.2 148.7 27.9 -10.3 35.1 11 38 A A E +A 29 0A 0 18,-2.0 18,-3.2 -2,-0.3 63,-0.1 -0.887 50.3 36.3-146.3 176.3 30.0 -13.2 36.4 12 39 A D E S- 0 0 12 -2,-0.3 -1,-0.2 16,-0.2 2,-0.2 0.884 76.1-158.3 47.0 53.0 30.3 -17.0 36.7 13 40 A P E - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.428 17.7-161.7 -74.2 142.3 28.9 -17.7 33.2 14 41 A E E -A 27 0A 5 13,-1.4 13,-2.4 -2,-0.2 2,-0.3 -0.873 14.3-155.9-107.3 141.9 27.4 -21.0 32.0 15 42 A V E +A 26 0A 7 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.948 13.5 177.6-125.2 144.5 27.1 -21.4 28.2 16 43 A L E -A 25 0A 20 9,-2.2 9,-3.0 -2,-0.3 2,-0.5 -0.997 23.9-148.1-145.2 144.4 24.7 -23.7 26.3 17 44 A Y E -A 24 0A 39 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.977 23.5-145.8-109.4 124.1 23.9 -24.5 22.7 18 45 A S E >> -A 23 0A 0 5,-3.0 4,-2.5 -2,-0.5 5,-0.7 -0.838 15.1-169.0 -97.1 115.8 20.2 -25.4 22.3 19 46 A H T 45S+ 0 0 87 -2,-0.7 -1,-0.2 1,-0.2 67,-0.0 0.654 90.6 58.6 -70.5 -16.4 19.4 -28.1 19.7 20 47 A Q T 45S+ 0 0 83 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.927 123.0 17.7 -76.0 -50.5 15.8 -27.0 20.2 21 48 A T T 45S- 0 0 52 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.592 95.5-129.9 -99.5 -13.2 16.1 -23.4 19.3 22 49 A K T <5S+ 0 0 127 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.823 70.1 117.9 62.8 36.0 19.5 -23.6 17.4 23 50 A R E < -A 18 0A 69 -5,-0.7 -5,-3.0 25,-0.0 2,-0.3 -0.887 65.3-119.5-128.7 157.3 20.7 -20.6 19.5 24 51 A Y E -AB 17 46A 23 22,-3.1 22,-2.3 -2,-0.3 2,-0.3 -0.764 29.1-163.5 -95.5 143.5 23.6 -20.1 22.1 25 52 A Y E -AB 16 45A 6 -9,-3.0 -9,-2.2 -2,-0.3 2,-0.4 -0.977 11.7-158.8-133.7 142.6 22.7 -19.1 25.7 26 53 A I E -AB 15 44A 0 18,-2.3 18,-2.1 -2,-0.3 -11,-0.2 -0.986 4.5-170.9-121.9 130.3 24.7 -17.6 28.6 27 54 A Y E +A 14 0A 0 -13,-2.4 -13,-1.4 -2,-0.4 2,-0.2 -0.915 22.2 166.4-120.9 95.3 23.4 -18.0 32.2 28 55 A P E - 0 0 0 0, 0.0 14,-0.5 0, 0.0 2,-0.4 -0.490 44.2 -92.4-103.4 175.9 25.5 -15.8 34.5 29 56 A T E -AC 11 41A 0 -18,-3.2 -18,-2.0 -2,-0.2 2,-0.7 -0.736 46.0-116.0 -73.3 138.1 25.4 -14.5 38.1 30 57 A S E -A 10 0A 1 10,-0.6 8,-0.4 42,-0.5 -20,-0.2 -0.729 48.2-174.2 -77.3 110.6 23.8 -11.0 38.0 31 58 A D + 0 0 9 -22,-1.7 -22,-0.3 -2,-0.7 252,-0.1 -0.213 49.5 81.8 -99.4-171.5 26.8 -9.0 39.3 32 59 A G S S+ 0 0 25 250,-1.8 -1,-0.1 1,-0.3 251,-0.1 0.523 71.0 113.1 89.9 2.7 27.2 -5.3 40.2 33 60 A F S > S- 0 0 74 -3,-0.2 3,-1.4 249,-0.1 -1,-0.3 -0.942 73.7-112.9-109.8 133.2 25.8 -5.9 43.7 34 61 A P G > S+ 0 0 33 0, 0.0 3,-0.6 0, 0.0 374,-0.1 -0.340 103.2 13.4 -64.2 140.2 27.9 -5.6 46.9 35 62 A G G 3 S- 0 0 20 1,-0.2 247,-0.0 2,-0.1 36,-0.0 0.763 129.3 -75.3 63.8 26.1 28.5 -8.9 48.7 36 63 A W G < S+ 0 0 50 -3,-1.4 -1,-0.2 1,-0.1 -6,-0.1 0.900 77.1 166.9 53.1 52.2 27.2 -10.7 45.5 37 64 A G < + 0 0 34 -3,-0.6 34,-0.3 -4,-0.2 -1,-0.1 0.310 18.4 136.5 -80.7 3.9 23.6 -9.7 46.4 38 65 A G - 0 0 0 -8,-0.4 34,-2.4 -5,-0.2 33,-0.2 -0.311 30.4-175.2 -55.2 133.6 22.1 -10.6 43.1 39 66 A S + 0 0 37 32,-0.2 22,-2.9 31,-0.2 2,-0.3 0.270 57.4 50.7-117.5 8.7 18.8 -12.5 43.7 40 67 A Y E - D 0 60A 56 20,-0.2 -10,-0.6 32,-0.2 2,-0.4 -0.963 69.6-126.4-147.3 158.7 17.7 -13.5 40.2 41 68 A F E -CD 29 59A 0 18,-2.4 17,-2.1 -2,-0.3 18,-1.1 -0.931 19.4-163.3-113.2 133.9 19.1 -15.2 37.0 42 69 A K - 0 0 29 -14,-0.5 2,-0.4 -2,-0.4 15,-0.2 -0.593 8.2-144.8-103.4 167.9 19.1 -13.7 33.5 43 70 A V - 0 0 0 13,-0.3 12,-3.3 12,-0.3 2,-0.4 -0.996 8.3-164.1-136.1 134.3 19.6 -15.4 30.2 44 71 A F E -BE 26 54A 2 -18,-2.1 -18,-2.3 -2,-0.4 2,-0.3 -0.969 12.0-157.0-115.0 134.4 21.4 -13.9 27.2 45 72 A S E +BE 25 53A 0 8,-3.3 8,-2.9 -2,-0.4 2,-0.3 -0.875 12.6 177.6-118.9 153.5 21.0 -15.4 23.7 46 73 A S E -B 24 0A 0 -22,-2.3 -22,-3.1 -2,-0.3 6,-0.1 -0.987 24.6-162.8-146.7 151.7 23.0 -15.4 20.5 47 74 A K S S+ 0 0 59 4,-0.5 -1,-0.1 -2,-0.3 5,-0.1 0.724 100.1 20.3-100.5 -29.0 22.9 -16.9 17.0 48 75 A N S S- 0 0 92 3,-0.4 4,-0.1 -24,-0.1 -25,-0.0 0.416 98.3-116.3-122.5 -8.2 26.6 -16.3 16.1 49 76 A L S S+ 0 0 10 2,-0.4 3,-0.1 -25,-0.1 239,-0.0 0.411 103.4 77.6 78.5 3.1 28.5 -15.8 19.5 50 77 A K S S+ 0 0 170 1,-0.3 2,-0.5 -45,-0.0 -1,-0.1 0.812 90.7 45.3-102.7 -49.8 29.3 -12.2 18.5 51 78 A T S S- 0 0 106 2,-0.0 -4,-0.5 -45,-0.0 -3,-0.4 -0.898 72.3-166.8-105.4 122.8 26.0 -10.3 19.2 52 79 A W - 0 0 28 -2,-0.5 2,-0.4 -47,-0.3 -6,-0.2 -0.903 3.7-162.8-116.8 135.7 24.2 -11.1 22.5 53 80 A K E -E 45 0A 119 -8,-2.9 -8,-3.3 -2,-0.4 2,-0.4 -0.955 21.5-123.2-119.3 134.0 20.6 -10.3 23.5 54 81 A E E -E 44 0A 98 -2,-0.4 -10,-0.3 -10,-0.2 2,-0.1 -0.646 30.3-167.4 -80.1 127.1 19.1 -10.2 27.0 55 82 A E - 0 0 41 -12,-3.3 -12,-0.3 -2,-0.4 3,-0.1 -0.208 38.3 -56.2 -93.8-169.2 16.1 -12.5 27.3 56 83 A T - 0 0 104 57,-0.1 -13,-0.3 1,-0.1 2,-0.3 -0.277 60.7 -94.3 -70.9 155.4 13.5 -12.7 30.2 57 84 A V - 0 0 63 -15,-0.2 -15,-0.2 1,-0.1 3,-0.1 -0.564 37.7-166.1 -68.8 128.9 14.5 -13.3 33.9 58 85 A I + 0 0 12 -17,-2.1 58,-0.6 1,-0.3 2,-0.3 0.759 62.7 16.5 -94.6 -30.4 14.2 -17.0 34.4 59 86 A L E -D 41 0A 0 -18,-1.1 -18,-2.4 56,-0.1 2,-0.4 -0.981 52.8-172.9-152.9 134.9 14.3 -17.3 38.2 60 87 A E E >> -D 40 0A 69 -2,-0.3 4,-3.0 -20,-0.2 5,-0.7 -0.997 33.1-116.4-126.6 128.0 14.0 -15.0 41.3 61 88 A X B 45S+f 65 0B 13 -22,-2.9 2,-2.0 -2,-0.4 8,-0.2 -0.310 97.8 8.7 -61.8 144.5 14.7 -16.2 44.8 62 89 A G T 45S+ 0 0 45 3,-2.0 -1,-0.2 6,-0.6 7,-0.1 -0.431 127.6 60.1 83.6 -63.4 11.6 -16.1 47.2 63 90 A K T 45S+ 0 0 162 -2,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.915 129.6 9.0 -59.1 -51.7 9.2 -15.3 44.2 64 91 A N T <5S+ 0 0 70 -4,-3.0 54,-0.6 1,-0.2 2,-0.5 0.477 130.6 57.5-109.1 -11.0 10.1 -18.6 42.3 65 92 A V B > < -f 61 0B 0 -5,-0.7 -3,-2.0 3,-0.2 3,-0.8 -0.917 60.7-171.7-129.7 100.2 12.2 -20.4 45.0 66 93 A S T 3 S+ 0 0 90 -2,-0.5 -1,-0.1 1,-0.2 31,-0.1 0.716 86.3 47.5 -65.0 -27.2 10.3 -20.9 48.3 67 94 A W T 3 S+ 0 0 20 29,-0.1 30,-2.3 30,-0.1 31,-0.4 0.545 105.4 67.0 -92.1 -14.0 13.4 -22.1 50.2 68 95 A A E < -G 96 0C 1 -3,-0.8 -6,-0.6 28,-0.3 -3,-0.2 -0.806 46.9-178.0-114.7 151.8 15.8 -19.4 49.1 69 96 A N E - 0 0 82 26,-2.7 2,-0.3 1,-0.3 -1,-0.1 0.334 63.0 -41.4-127.6 2.9 15.9 -15.6 49.8 70 97 A G E S+G 95 0C 7 25,-0.7 25,-3.0 1,-0.1 -1,-0.3 -0.983 84.8 92.9 163.6-169.9 18.9 -14.3 47.8 71 98 A N E - 0 0 35 -2,-0.3 2,-0.9 -34,-0.3 -32,-0.2 0.932 51.0-169.9 48.7 58.4 22.6 -14.7 46.6 72 99 A A E - 0 0 0 -34,-2.4 -42,-0.5 22,-0.2 2,-0.4 -0.688 20.8-179.0 -77.8 103.4 21.5 -16.5 43.3 73 100 A W E -G 93 0C 28 20,-2.5 20,-1.8 -2,-0.9 63,-0.2 -0.935 30.4 -23.0-123.2 151.1 24.9 -17.7 42.0 74 101 A A E - 0 0 1 -2,-0.4 63,-0.4 18,-0.2 -1,-0.2 0.854 64.8-165.4 39.9 73.2 26.7 -19.4 39.3 75 102 A P E - 0 0 7 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.206 9.8-160.0 -81.2 173.3 24.2 -21.7 37.5 76 103 A C E -G 91 0C 1 15,-2.2 15,-2.3 62,-0.1 2,-0.3 -0.956 7.3-156.5-145.1 160.8 24.7 -24.6 35.1 77 104 A I E -G 90 0C 5 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.997 9.2-162.0-146.0 150.1 22.4 -26.2 32.6 78 105 A E E -G 89 0C 36 11,-2.0 11,-2.3 -2,-0.3 2,-0.5 -0.999 8.5-155.7-131.3 130.8 21.8 -29.4 30.8 79 106 A E E +G 88 0C 26 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.951 18.7 177.8-105.4 125.7 19.7 -29.9 27.7 80 107 A K E -G 87 0C 47 7,-2.5 7,-3.0 -2,-0.5 2,-0.6 -0.971 26.2-138.3-126.5 145.9 18.3 -33.5 27.2 81 108 A K E +G 86 0C 137 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.922 30.3 174.1-103.3 115.4 16.1 -34.9 24.4 82 109 A I E > -G 85 0C 72 3,-3.1 3,-1.9 -2,-0.6 -2,-0.1 -0.990 66.5 -16.0-129.1 122.3 13.6 -37.3 26.1 83 110 A D T 3 S- 0 0 161 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.857 128.0 -53.5 51.1 44.4 10.7 -38.9 24.1 84 111 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.483 120.3 102.2 73.7 4.7 11.1 -36.3 21.3 85 112 A K E < S-G 82 0C 93 -3,-1.9 -3,-3.1 2,-0.0 2,-0.3 -0.965 70.7-124.1-122.8 138.5 10.9 -33.3 23.6 86 113 A Y E -G 81 0C 49 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.649 27.7-170.3 -83.0 133.7 13.7 -31.1 24.9 87 114 A K E -G 80 0C 76 -7,-3.0 -7,-2.5 -2,-0.3 2,-0.4 -0.939 8.7-147.7-125.1 144.8 14.0 -30.8 28.7 88 115 A Y E -GH 79 109C 0 21,-2.4 21,-1.5 -2,-0.3 2,-0.5 -0.948 5.6-164.5-121.7 136.8 16.3 -28.4 30.7 89 116 A F E -GH 78 108C 17 -11,-2.3 -11,-2.0 -2,-0.4 2,-0.5 -0.988 12.2-171.1-123.6 107.2 17.9 -29.0 34.0 90 117 A F E -GH 77 107C 0 17,-2.9 17,-2.8 -2,-0.5 2,-0.3 -0.945 1.5-170.6-108.3 119.8 19.1 -25.8 35.6 91 118 A Y E +GH 76 106C 0 -15,-2.3 -15,-2.2 -2,-0.5 2,-0.3 -0.861 16.1 149.4-113.3 147.6 21.3 -26.1 38.8 92 119 A Y E - 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