==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JAN-11 3QED . COMPND 2 MOLECULE: BETA-XYLOSIDASE/ALPHA-L-ARABINFURANOSIDASE, GLY43 . SOURCE 2 ORGANISM_SCIENTIFIC: CELLVIBRIO JAPONICUS; . AUTHOR A.CARTMELL,L.S.MCKEE,M.PENA,J.LARSBRINK,H.BRUMER,R.J.LEWIS,A . 1209 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 700 57.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 460 38.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 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 . 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 . 90 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 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 PARALLEL BRIDGES PER LADDER . 16 6 0 9 11 5 17 7 2 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 4 11 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 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 29 A A 0 0 54 0, 0.0 291,-0.6 0, 0.0 270,-0.2 0.000 360.0 360.0 360.0 73.4 69.2 67.2 10.7 2 30 A E - 0 0 159 289,-0.2 288,-0.2 1,-0.1 289,-0.1 -0.041 360.0 -92.8 -40.5 130.2 68.3 70.3 8.6 3 31 A N S S+ 0 0 17 286,-3.6 267,-0.1 285,-0.1 2,-0.1 -0.762 106.0 54.9 -87.1 142.1 64.6 71.2 8.8 4 32 A P S S- 0 0 31 0, 0.0 266,-0.2 0, 0.0 265,-0.1 0.557 75.5-157.4 -74.5 155.7 62.4 70.4 6.9 5 33 A I S S+ 0 0 32 264,-1.9 2,-0.4 1,-0.1 50,-0.2 0.772 72.4 44.5 -80.0 -29.5 63.1 66.7 7.5 6 34 A F + 0 0 19 263,-0.5 5,-0.1 1,-0.1 -1,-0.1 -0.979 52.7 171.1-121.1 131.2 61.5 65.2 4.3 7 35 A T + 0 0 112 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.398 67.0 71.7-120.0 -2.6 62.0 66.7 0.9 8 36 A D S S+ 0 0 155 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.598 110.6 19.6 -89.7 -13.5 60.5 64.2 -1.5 9 37 A V S S- 0 0 31 2,-0.0 2,-0.3 257,-0.0 -1,-0.2 -0.984 81.2-109.7-147.3 156.2 57.0 65.1 -0.5 10 38 A F - 0 0 28 20,-0.5 2,-0.4 -2,-0.3 20,-0.3 -0.719 42.5-171.3 -85.6 148.2 55.1 67.8 1.3 11 39 A T + 0 0 0 256,-2.4 2,-0.2 -2,-0.3 18,-0.2 -1.000 8.6 168.6-155.8 128.2 54.1 66.7 4.6 12 40 A A E +A 28 0A 0 16,-2.5 16,-2.8 -2,-0.4 257,-0.1 -0.844 44.5 39.9-142.8 173.0 51.8 68.2 7.3 13 41 A D E S- 0 0 13 -2,-0.2 64,-0.6 14,-0.2 -1,-0.2 0.896 72.9-150.7 51.8 57.4 49.8 67.8 10.6 14 42 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.242 22.7 176.6 -69.3 145.1 52.4 65.7 12.5 15 43 A A E -A 26 0A 0 11,-2.7 11,-3.8 226,-0.1 2,-0.3 -0.989 10.6-172.6-138.8 139.4 51.5 63.2 15.2 16 44 A A E -A 25 0A 7 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.851 12.2-178.9-139.4 174.3 54.1 61.0 16.9 17 45 A L E -A 24 0A 16 7,-1.5 7,-3.0 -2,-0.3 2,-0.4 -0.968 22.3-128.4-169.6 143.2 54.5 58.1 19.3 18 46 A V E +A 23 0A 61 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.926 30.6 166.3-109.0 134.5 57.3 56.1 21.0 19 47 A H E > -A 22 0A 25 3,-2.7 3,-2.6 -2,-0.4 -2,-0.1 -0.962 63.2 -17.8-149.9 131.7 57.3 52.3 20.8 20 48 A K T 3 S- 0 0 188 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.871 127.5 -47.3 41.9 53.3 60.0 49.7 21.6 21 49 A G T 3 S+ 0 0 44 1,-0.2 2,-0.3 275,-0.0 -1,-0.3 0.361 119.2 101.7 78.1 -4.9 62.9 52.3 21.4 22 50 A R E < -A 19 0A 63 -3,-2.6 -3,-2.7 29,-0.1 2,-0.6 -0.849 66.3-131.9-114.6 147.0 61.7 53.8 18.1 23 51 A V E -AB 18 49A 0 26,-2.6 26,-2.2 -2,-0.3 2,-0.5 -0.877 19.4-158.0 -93.6 121.7 59.9 57.1 17.3 24 52 A Y E -AB 17 48A 28 -7,-3.0 -7,-1.5 -2,-0.6 2,-0.5 -0.895 9.3-162.7 -98.5 125.5 57.0 56.5 14.9 25 53 A L E -AB 16 47A 0 22,-3.9 22,-2.6 -2,-0.5 2,-0.4 -0.947 3.9-165.8-116.8 128.2 56.0 59.7 13.1 26 54 A Y E +AB 15 46A 0 -11,-3.8 -11,-2.7 -2,-0.5 2,-0.3 -0.896 13.9 164.6-116.4 138.8 52.7 60.2 11.3 27 55 A A E - B 0 45A 0 18,-1.8 18,-3.2 -2,-0.4 -14,-0.2 -0.991 34.1-120.6-151.2 151.8 51.8 63.0 8.8 28 56 A G E -AB 12 44A 0 -16,-2.8 -16,-2.5 -2,-0.3 2,-0.5 -0.505 34.3-124.3 -85.7 166.5 49.2 63.9 6.2 29 57 A R E - 0 0 70 14,-1.2 13,-0.6 -18,-0.2 2,-0.6 -0.924 10.6-141.3-126.0 109.9 50.5 64.4 2.7 30 58 A D E + B 0 41A 4 -2,-0.5 -20,-0.5 -20,-0.3 11,-0.2 -0.514 24.6 170.3 -71.9 112.6 49.9 67.7 0.9 31 59 A E + 0 0 68 9,-3.3 -1,-0.1 -2,-0.6 10,-0.1 0.162 29.3 133.8-106.4 16.7 49.2 67.0 -2.8 32 60 A A - 0 0 2 233,-0.7 7,-0.1 8,-0.3 8,-0.0 -0.479 53.3-141.8 -76.0 139.0 48.1 70.5 -3.8 33 61 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.703 79.9 9.3 -66.6 -24.3 49.5 72.0 -7.1 34 62 A D > - 0 0 48 4,-0.2 3,-0.5 231,-0.1 4,-0.2 -0.965 67.3-116.4-155.0 165.7 49.7 75.5 -5.6 35 63 A N T 3 S+ 0 0 14 -2,-0.3 229,-0.2 1,-0.2 4,-0.1 0.159 101.0 73.3 -90.4 23.1 49.4 77.6 -2.4 36 64 A T T 3 S+ 0 0 49 2,-0.1 -1,-0.2 229,-0.1 305,-0.0 0.446 94.3 33.4-127.1 -2.9 46.5 79.4 -3.8 37 65 A T S < S- 0 0 89 -3,-0.5 2,-0.3 1,-0.2 -2,-0.1 0.649 102.1 -62.7-115.0 -81.6 43.4 77.2 -3.9 38 66 A F - 0 0 88 -4,-0.2 -4,-0.2 227,-0.1 -1,-0.2 -0.984 55.7 -63.1-167.5 162.0 42.9 74.6 -1.1 39 67 A F - 0 0 34 -2,-0.3 2,-0.4 225,-0.1 227,-0.1 -0.169 35.9-168.3 -47.0 140.0 44.3 71.5 0.7 40 68 A V + 0 0 58 225,-0.3 -9,-3.3 34,-0.1 2,-0.4 -0.897 21.8 159.4-136.1 104.6 44.4 68.4 -1.4 41 69 A X E +B 30 0A 2 -2,-0.4 33,-1.3 -11,-0.2 32,-0.6 -0.995 13.9 154.5-135.2 128.1 45.1 65.5 0.9 42 70 A N E + 0 0 41 -13,-0.6 22,-2.7 -2,-0.4 23,-0.5 0.662 61.1 28.4-123.1 -29.0 44.4 61.8 0.3 43 71 A E E - C 0 63A 17 -14,-0.4 -14,-1.2 20,-0.3 2,-0.4 -0.952 61.1-128.5-141.3 153.1 46.8 59.6 2.4 44 72 A W E -BC 28 62A 0 18,-3.6 17,-3.0 -2,-0.3 18,-1.1 -0.846 25.0-146.2-102.8 144.9 48.8 59.6 5.6 45 73 A L E -BC 27 60A 10 -18,-3.2 -18,-1.8 -2,-0.4 2,-0.4 -0.834 4.6-145.6-115.3 146.7 52.5 58.7 5.6 46 74 A V E +B 26 0A 3 13,-2.2 12,-1.8 -2,-0.3 13,-0.4 -0.911 18.4 172.8-118.6 136.7 54.5 56.8 8.3 47 75 A Y E -BC 25 57A 21 -22,-2.6 -22,-3.9 -2,-0.4 2,-0.3 -0.964 9.6-162.3-136.9 154.4 58.1 57.4 9.3 48 76 A S E -BC 24 56A 0 8,-1.7 8,-2.9 -2,-0.3 2,-0.3 -1.000 3.8-166.6-142.5 144.3 60.3 56.0 12.1 49 77 A S E -BC 23 55A 0 -26,-2.2 -26,-2.6 -2,-0.3 6,-0.1 -0.937 23.8-160.1-133.4 154.5 63.6 57.0 13.7 50 78 A D S S+ 0 0 62 4,-0.7 247,-0.4 -2,-0.3 -1,-0.1 0.678 101.3 13.0 -89.9 -26.7 66.2 55.6 16.0 51 79 A D S S- 0 0 14 3,-0.4 244,-1.0 245,-0.1 245,-0.1 0.165 102.7-103.3-149.3 6.0 67.6 58.9 17.1 52 80 A X S S+ 0 0 2 2,-0.2 240,-0.2 242,-0.2 3,-0.1 0.308 111.0 68.2 72.7 -5.6 65.2 61.7 16.0 53 81 A A S S+ 0 0 18 1,-0.2 2,-0.6 238,-0.1 -1,-0.1 0.789 87.3 54.5-114.1 -40.0 67.5 62.6 13.1 54 82 A N S S- 0 0 110 2,-0.0 -4,-0.7 -53,-0.0 2,-0.5 -0.903 71.7-159.6-105.1 121.9 67.5 59.8 10.5 55 83 A W E -C 49 0A 42 -2,-0.6 2,-0.6 -50,-0.2 -6,-0.2 -0.863 9.9-148.8-110.1 129.4 64.1 58.8 9.3 56 84 A E E -C 48 0A 101 -8,-2.9 -8,-1.7 -2,-0.5 2,-0.8 -0.863 19.8-136.5 -95.5 121.6 63.1 55.6 7.7 57 85 A A E +C 47 0A 71 -2,-0.6 -10,-0.2 -10,-0.2 -2,-0.0 -0.696 24.7 176.8 -86.3 109.4 60.2 56.0 5.2 58 86 A H E - 0 0 55 -12,-1.8 -11,-0.1 -2,-0.8 -1,-0.1 0.262 38.4-135.3 -89.5 8.5 57.6 53.3 5.6 59 87 A G E - 0 0 27 -13,-0.4 -13,-2.2 -14,-0.0 -1,-0.3 -0.130 56.1 -4.2 70.2-168.6 55.3 54.9 2.9 60 88 A P E +C 45 0A 76 0, 0.0 -15,-0.3 0, 0.0 3,-0.1 -0.301 51.8 179.7 -57.4 141.2 51.5 55.4 3.1 61 89 A G E + 0 0 15 -17,-3.0 54,-0.6 1,-0.4 2,-0.3 0.578 68.3 0.6-114.0 -19.6 49.9 53.9 6.2 62 90 A L E -C 44 0A 3 -18,-1.1 -18,-3.6 52,-0.1 -1,-0.4 -0.904 57.4-148.6-171.5 132.8 46.3 54.9 5.5 63 91 A R E > -C 43 0A 96 -2,-0.3 3,-1.7 -20,-0.3 -20,-0.3 -0.855 25.6-127.0-106.4 149.4 44.3 56.6 2.8 64 92 A A G > S+ 0 0 1 -22,-2.7 3,-1.9 -2,-0.3 6,-0.2 0.877 109.8 63.6 -60.4 -37.2 41.2 58.6 3.7 65 93 A K G 3 S+ 0 0 125 -23,-0.5 -1,-0.3 1,-0.3 5,-0.1 0.527 78.3 85.5 -69.3 -6.0 39.2 56.7 1.1 66 94 A D G < S+ 0 0 84 -3,-1.7 2,-0.8 1,-0.1 51,-0.4 0.647 75.7 80.5 -66.2 -14.9 39.9 53.5 3.2 67 95 A F S X S- 0 0 2 -3,-1.9 3,-2.7 1,-0.2 -1,-0.1 -0.843 74.3-155.3 -93.2 108.6 36.8 54.6 5.2 68 96 A T T 3 S+ 0 0 122 -2,-0.8 -1,-0.2 1,-0.3 53,-0.1 0.880 95.3 51.1 -49.4 -40.6 33.8 53.5 3.1 69 97 A W T 3 S+ 0 0 15 -3,-0.1 26,-2.3 26,-0.0 2,-0.3 0.494 95.4 95.3 -78.0 -2.6 31.7 56.2 4.8 70 98 A A E < -D 94 0B 10 -3,-2.7 24,-0.2 24,-0.2 3,-0.1 -0.682 57.4-159.6 -99.4 146.8 34.2 58.9 3.9 71 99 A K E - 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