==== 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 3QEE . 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 . 596 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 58.7 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 . 236 39.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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 . 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 . 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 . 42 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 2 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 . 8 1 1 4 6 3 7 4 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 2 6 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 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 60 0, 0.0 291,-0.5 0, 0.0 270,-0.2 0.000 360.0 360.0 360.0 12.7 -9.4 -30.3 -30.7 2 30 A E - 0 0 125 289,-0.2 288,-0.2 1,-0.1 289,-0.1 -0.233 360.0 -76.8 -50.5 142.0 -10.1 -26.7 -29.4 3 31 A N S S+ 0 0 11 286,-2.8 2,-0.1 285,-0.2 267,-0.1 -0.761 116.3 46.2 -91.9 139.3 -7.4 -25.4 -27.0 4 32 A P S S- 0 0 26 0, 0.0 266,-0.2 0, 0.0 265,-0.1 0.541 78.1-159.0 -75.3 154.1 -7.0 -26.1 -24.2 5 33 A I S S+ 0 0 31 264,-1.8 2,-0.5 -2,-0.1 50,-0.1 0.711 75.3 48.5 -80.3 -22.9 -7.3 -29.8 -25.0 6 34 A F + 0 0 15 263,-0.5 5,-0.2 3,-0.1 -1,-0.1 -0.983 56.8 173.1-120.8 124.9 -8.2 -31.0 -21.4 7 35 A T S S+ 0 0 118 -2,-0.5 252,-0.2 1,-0.1 -1,-0.1 0.576 70.6 60.4-106.5 -12.9 -10.8 -29.1 -19.5 8 36 A D S S+ 0 0 139 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.521 110.7 28.1 -99.0 -8.5 -11.3 -31.2 -16.4 9 37 A V S S- 0 0 30 2,-0.0 2,-0.5 257,-0.0 -3,-0.1 -0.946 79.6-113.0-142.8 161.0 -7.8 -31.0 -15.0 10 38 A F E -A 30 0A 23 20,-0.5 20,-1.5 -2,-0.3 2,-0.3 -0.886 36.4-174.0 -99.0 130.1 -4.9 -28.5 -15.2 11 39 A T E +A 29 0A 0 256,-1.1 2,-0.3 -2,-0.5 18,-0.2 -0.969 5.2 173.5-130.0 144.2 -1.9 -29.8 -17.1 12 40 A A E +A 28 0A 0 16,-2.3 16,-2.3 -2,-0.3 257,-0.1 -0.913 49.4 31.6-145.8 163.0 1.6 -28.3 -17.6 13 41 A D E S- 0 0 8 -2,-0.3 64,-0.6 14,-0.2 -1,-0.2 0.930 75.3-155.0 55.1 55.3 5.1 -28.9 -19.0 14 42 A P E + 0 0 6 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.289 19.9 177.2 -67.6 148.5 4.0 -31.1 -21.9 15 43 A A E -A 26 0A 0 11,-2.2 11,-3.2 226,-0.1 2,-0.3 -0.976 7.3-173.6-141.3 150.9 6.3 -33.7 -23.5 16 44 A A E -A 25 0A 5 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.968 11.8-179.3-146.9 157.9 5.4 -36.2 -26.3 17 45 A L E -A 24 0A 19 7,-1.8 7,-2.8 -2,-0.3 2,-0.5 -0.942 26.4-121.3-147.3 166.4 6.7 -39.1 -28.3 18 46 A V E +A 23 0A 61 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.969 30.2 174.2-116.3 126.6 5.5 -41.3 -31.1 19 47 A H E > -A 22 0A 31 3,-2.8 3,-1.5 -2,-0.5 -2,-0.0 -0.966 66.4 -25.6-137.8 120.3 5.3 -45.1 -30.5 20 48 A K T 3 S- 0 0 189 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.887 127.3 -44.4 42.3 51.4 3.8 -47.6 -33.0 21 49 A G T 3 S+ 0 0 45 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.542 119.0 98.6 79.1 11.6 1.5 -45.1 -34.6 22 50 A R E < -A 19 0A 63 -3,-1.5 -3,-2.8 29,-0.1 2,-0.5 -0.963 66.0-131.9-125.7 144.9 0.2 -43.3 -31.5 23 51 A V E -AB 18 49A 0 26,-3.2 26,-1.9 -2,-0.4 2,-0.5 -0.829 18.4-155.9 -89.9 132.6 1.3 -40.1 -29.9 24 52 A Y E -AB 17 48A 31 -7,-2.8 -7,-1.8 -2,-0.5 2,-0.4 -0.954 7.6-162.7-110.3 130.5 1.9 -40.3 -26.1 25 53 A L E -AB 16 47A 0 22,-2.8 22,-2.6 -2,-0.5 2,-0.4 -0.957 3.8-168.4-119.5 127.7 1.6 -37.0 -24.2 26 54 A Y E +AB 15 46A 0 -11,-3.2 -11,-2.2 -2,-0.4 2,-0.3 -0.924 13.5 165.3-117.1 138.0 3.0 -36.5 -20.7 27 55 A A E - B 0 45A 0 18,-1.9 18,-3.0 -2,-0.4 -14,-0.2 -0.990 36.7-112.9-153.8 144.2 2.2 -33.5 -18.5 28 56 A G E -AB 12 44A 0 -16,-2.3 -16,-2.3 -2,-0.3 2,-0.6 -0.463 35.2-124.3 -68.0 145.4 2.5 -32.4 -14.8 29 57 A R E -A 11 0A 80 14,-2.5 13,-0.6 -18,-0.2 2,-0.5 -0.883 17.3-142.2 -96.6 118.0 -0.8 -32.0 -13.1 30 58 A D E +AB 10 41A 4 -20,-1.5 -20,-0.5 -2,-0.6 11,-0.2 -0.696 27.3 168.9 -76.9 120.7 -1.2 -28.5 -11.6 31 59 A E + 0 0 70 9,-3.2 10,-0.1 -2,-0.5 -1,-0.1 0.290 25.2 134.9-116.7 8.2 -3.0 -28.8 -8.3 32 60 A A - 0 0 0 233,-0.7 7,-0.1 8,-0.4 -2,-0.0 -0.337 54.1-139.5 -56.7 135.1 -2.5 -25.2 -6.9 33 61 A P S S- 0 0 90 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.727 78.2 -7.6 -73.8 -19.8 -5.8 -23.9 -5.5 34 62 A D S S- 0 0 49 4,-0.2 3,-0.3 231,-0.1 4,-0.2 -0.855 74.3 -99.4-156.4-174.5 -5.3 -20.5 -7.0 35 63 A N S S+ 0 0 10 -2,-0.2 229,-0.2 1,-0.2 4,-0.1 0.012 97.6 86.3-105.8 27.9 -2.7 -18.3 -8.8 36 64 A T S S+ 0 0 59 2,-0.1 -1,-0.2 229,-0.1 300,-0.1 0.580 93.0 22.4-106.5 -17.6 -1.6 -16.5 -5.6 37 65 A T S S- 0 0 90 -3,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.706 103.3 -60.5-118.3 -78.9 1.1 -18.7 -4.0 38 66 A F - 0 0 86 -4,-0.2 -1,-0.2 227,-0.1 -4,-0.2 -0.985 57.7 -60.2-168.9 167.0 3.1 -21.3 -6.0 39 67 A F - 0 0 33 -2,-0.3 2,-0.5 -7,-0.1 227,-0.1 -0.325 37.7-166.5 -55.5 135.0 3.0 -24.4 -8.1 40 68 A V + 0 0 56 225,-0.4 -9,-3.2 34,-0.1 2,-0.4 -0.929 21.6 160.9-125.9 103.4 1.6 -27.5 -6.4 41 69 A M E +B 30 0A 1 -2,-0.5 33,-1.8 -11,-0.2 32,-0.7 -0.987 12.9 154.3-133.1 122.3 2.5 -30.5 -8.5 42 70 A N E + 0 0 60 -13,-0.6 22,-2.4 -2,-0.4 23,-0.5 0.678 63.1 24.5-117.3 -31.0 2.5 -34.1 -7.3 43 71 A E E - C 0 63A 34 -14,-0.4 -14,-2.5 20,-0.2 2,-0.4 -0.932 61.2-130.7-139.9 157.8 1.9 -36.4 -10.3 44 72 A W E -BC 28 62A 0 18,-2.7 17,-2.9 -2,-0.3 18,-1.1 -0.938 24.8-146.1-109.7 136.8 2.4 -36.6 -14.1 45 73 A L E -BC 27 60A 11 -18,-3.0 -18,-1.9 -2,-0.4 2,-0.4 -0.656 4.3-144.5 -99.3 157.2 -0.5 -37.7 -16.3 46 74 A V E +BC 26 59A 2 13,-1.9 12,-3.2 -2,-0.2 13,-0.6 -0.978 19.6 171.2-126.3 134.4 -0.4 -39.7 -19.5 47 75 A Y E -BC 25 57A 15 -22,-2.6 -22,-2.8 -2,-0.4 2,-0.3 -0.911 9.8-163.4-131.5 159.5 -2.6 -39.3 -22.6 48 76 A S E +BC 24 56A 0 8,-2.2 8,-3.3 -2,-0.3 2,-0.3 -0.987 7.3 179.1-146.0 161.3 -2.5 -40.8 -26.1 49 77 A S E -B 23 0A 0 -26,-1.9 -26,-3.2 -2,-0.3 6,-0.1 -0.992 27.1-156.0-155.5 148.4 -4.0 -40.3 -29.6 50 78 A D S S+ 0 0 48 4,-0.4 247,-0.6 -2,-0.3 5,-0.1 0.314 101.8 29.1-104.9 7.9 -3.8 -41.7 -33.0 51 79 A D S S- 0 0 11 3,-0.4 244,-2.4 245,-0.2 245,-0.1 0.384 99.0-117.6-145.6 -0.5 -4.9 -38.4 -34.7 52 80 A M S S+ 0 0 1 2,-0.3 240,-0.2 242,-0.2 3,-0.1 0.488 104.6 67.1 70.9 6.2 -3.7 -35.5 -32.5 53 81 A A S S+ 0 0 13 1,-0.3 2,-0.6 238,-0.1 -1,-0.1 0.659 90.3 54.4-121.9 -38.3 -7.4 -34.4 -31.9 54 82 A N S S- 0 0 106 -53,-0.1 -4,-0.4 2,-0.0 2,-0.4 -0.933 72.5-162.8-108.6 119.6 -9.0 -37.2 -29.9 55 83 A W - 0 0 50 -2,-0.6 2,-0.5 -50,-0.1 -6,-0.2 -0.876 13.2-150.5-114.0 131.5 -7.1 -38.1 -26.7 56 84 A E E -C 48 0A 95 -8,-3.3 -8,-2.2 -2,-0.4 2,-0.5 -0.856 20.7-137.0 -92.0 131.3 -7.4 -41.1 -24.4 57 85 A A E +C 47 0A 69 -2,-0.5 -10,-0.2 -10,-0.2 -12,-0.0 -0.780 22.6 179.0 -90.6 128.8 -6.6 -40.4 -20.7 58 86 A H E - 0 0 58 -12,-3.2 -11,-0.2 -2,-0.5 -1,-0.1 0.464 36.6-134.3-105.1 -5.2 -4.4 -43.0 -19.1 59 87 A G E -C 46 0A 27 -13,-0.6 -13,-1.9 2,-0.0 -1,-0.3 -0.258 57.3 -5.4 81.7-169.9 -4.3 -41.3 -15.7 60 88 A P E -C 45 0A 61 0, 0.0 -15,-0.3 0, 0.0 3,-0.1 -0.322 52.3-179.4 -59.6 131.5 -1.2 -40.8 -13.5 61 89 A G E - 0 0 8 -17,-2.9 54,-0.7 1,-0.4 2,-0.3 0.613 68.1 -2.4-102.1 -20.9 1.9 -42.4 -14.9 62 90 A L E -C 44 0A 0 -18,-1.1 -18,-2.7 52,-0.1 -1,-0.4 -0.967 59.8-142.9-168.8 151.9 4.3 -41.4 -12.2 63 91 A R E > -C 43 0A 93 -2,-0.3 3,-1.5 -20,-0.2 4,-0.3 -0.949 23.4-127.4-126.0 146.1 4.5 -39.4 -8.9 64 92 A A G > S+ 0 0 0 -22,-2.4 3,-1.7 -2,-0.3 6,-0.2 0.898 112.0 58.2 -56.9 -38.8 7.3 -37.2 -7.6 65 93 A K G 3 S+ 0 0 129 -23,-0.5 -1,-0.3 1,-0.3 5,-0.1 0.591 84.0 81.3 -71.0 -8.2 7.1 -39.2 -4.3 66 94 A D G < S+ 0 0 56 -3,-1.5 2,-0.7 1,-0.1 51,-0.4 0.694 79.0 76.4 -66.5 -18.5 7.9 -42.4 -6.2 67 95 A F S X S- 0 0 1 -3,-1.7 3,-2.1 -4,-0.3 -1,-0.1 -0.871 78.4-154.8 -93.8 112.2 11.5 -41.2 -6.0 68 96 A T T 3 S+ 0 0 122 -2,-0.7 -1,-0.1 1,-0.3 53,-0.0 0.773 92.1 54.3 -64.6 -24.3 12.4 -42.1 -2.4 69 97 A W T 3 S+ 0 0 13 -3,-0.1 26,-3.0 26,-0.1 2,-0.3 0.367 94.3 90.7 -89.8 -0.6 15.1 -39.4 -2.4 70 98 A A E < -D 94 0B 11 -3,-2.1 24,-0.3 24,-0.3 3,-0.1 -0.759 60.6-155.1 -98.1 146.3 12.7 -36.6 -3.5 71 99 A K E - 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