==== 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 3QEF . 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 . 593 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22862.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 58.5 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 . 233 39.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 41 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 6.1 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 . 9 2 2 2 6 2 8 5 1 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 4 4 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 30 A E 0 0 159 0, 0.0 288,-0.2 0, 0.0 289,-0.1 0.000 360.0 360.0 360.0 143.5 -3.6 7.3 -13.4 2 31 A N + 0 0 13 286,-3.3 2,-0.1 285,-0.2 267,-0.1 -0.771 360.0 46.9 -90.2 137.2 -4.5 8.2 -17.0 3 32 A P S S- 0 0 27 0, 0.0 266,-0.2 0, 0.0 265,-0.1 0.520 78.8-159.7 -74.6 155.0 -6.4 10.4 -17.9 4 33 A I S S+ 0 0 41 264,-1.8 2,-0.5 -2,-0.1 50,-0.2 0.717 73.6 51.4 -83.6 -22.2 -4.6 12.9 -15.5 5 34 A F + 0 0 12 263,-0.5 5,-0.2 1,-0.1 -1,-0.1 -0.973 55.7 172.9-118.6 126.3 -7.4 15.5 -15.2 6 35 A T S S+ 0 0 122 -2,-0.5 -1,-0.1 1,-0.1 252,-0.1 0.382 70.2 60.6-115.2 1.4 -10.9 14.3 -14.3 7 36 A D S S+ 0 0 134 1,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.385 110.9 27.5-108.9 0.5 -12.9 17.5 -13.8 8 37 A V S S- 0 0 29 2,-0.0 2,-0.5 -3,-0.0 -3,-0.1 -0.966 78.4-113.4-150.8 162.0 -12.5 18.9 -17.3 9 38 A F E -A 29 0A 25 20,-0.6 20,-1.7 -2,-0.3 2,-0.3 -0.914 37.6-175.7-101.2 131.0 -11.9 17.6 -20.9 10 39 A T E +A 28 0A 0 256,-1.1 2,-0.3 -2,-0.5 18,-0.2 -0.950 3.8 176.3-130.7 147.2 -8.5 18.5 -22.3 11 40 A A E +A 27 0A 0 16,-2.3 16,-2.3 -2,-0.3 257,-0.1 -0.942 49.7 27.4-146.8 162.4 -7.0 18.0 -25.8 12 41 A A E S- 0 0 10 -2,-0.3 64,-0.6 14,-0.2 -1,-0.2 0.914 75.0-154.9 54.1 59.4 -4.0 18.6 -28.0 13 42 A P E - 0 0 0 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.260 18.3-176.6 -70.0 148.6 -1.4 18.9 -25.3 14 43 A A E -A 25 0A 0 11,-2.2 11,-2.9 226,-0.1 2,-0.3 -0.946 9.0-173.2-133.0 154.4 1.9 20.9 -25.6 15 44 A A E +A 24 0A 6 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.978 12.8 179.4-146.0 160.1 4.6 21.0 -22.9 16 45 A L E -A 23 0A 18 7,-1.8 7,-2.7 -2,-0.3 2,-0.5 -0.958 26.5-122.9-151.3 163.6 7.8 22.7 -22.0 17 46 A V E +A 22 0A 59 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.956 30.8 171.6-114.4 131.6 10.3 22.6 -19.1 18 47 A H E > -A 21 0A 29 3,-3.1 3,-1.3 -2,-0.5 -2,-0.0 -0.950 65.1 -20.8-144.3 118.8 11.1 25.7 -17.2 19 48 A K T 3 S- 0 0 181 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.910 127.3 -44.8 48.4 54.7 13.1 26.0 -14.0 20 49 A G T 3 S+ 0 0 47 1,-0.2 2,-0.4 276,-0.0 -1,-0.3 0.550 120.7 99.7 74.7 7.3 12.6 22.4 -12.9 21 50 A R E < -A 18 0A 57 -3,-1.3 -3,-3.1 29,-0.1 2,-0.5 -0.960 65.5-135.7-123.3 146.3 8.9 22.4 -13.7 22 51 A V E -AB 17 48A 0 26,-2.8 26,-1.9 -2,-0.4 2,-0.5 -0.874 18.3-156.2 -94.2 128.8 7.0 21.0 -16.6 23 52 A Y E -AB 16 47A 28 -7,-2.7 -7,-1.8 -2,-0.5 2,-0.4 -0.920 7.0-162.5-104.9 132.4 4.3 23.3 -17.9 24 53 A L E -AB 15 46A 0 22,-2.8 22,-2.5 -2,-0.5 2,-0.4 -0.951 3.9-167.9-119.7 129.2 1.4 21.7 -19.8 25 54 A Y E +AB 14 45A 1 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.3 -0.958 14.6 167.1-118.1 134.7 -0.9 23.6 -22.1 26 55 A A E - B 0 44A 0 18,-2.1 18,-3.1 -2,-0.4 -14,-0.2 -1.000 35.4-114.6-148.0 146.3 -4.1 22.1 -23.5 27 56 A G E -AB 11 43A 1 -16,-2.3 -16,-2.3 -2,-0.3 2,-0.6 -0.481 34.5-124.5 -71.7 149.8 -7.3 23.1 -25.2 28 57 A R E -A 10 0A 82 14,-2.1 13,-0.5 -18,-0.2 2,-0.5 -0.885 15.9-143.1-101.6 119.5 -10.5 22.6 -23.2 29 58 A D E +AB 9 40A 4 -20,-1.7 -20,-0.6 -2,-0.6 11,-0.2 -0.695 26.7 167.7 -79.1 125.9 -13.2 20.5 -24.8 30 59 A E + 0 0 70 9,-2.8 10,-0.1 -2,-0.5 -1,-0.1 0.156 24.9 136.2-123.5 14.2 -16.6 21.8 -24.1 31 60 A A - 0 0 1 233,-0.7 7,-0.1 8,-0.3 -2,-0.0 -0.433 51.8-142.4 -64.1 135.5 -18.7 19.9 -26.6 32 61 A P S S+ 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.627 78.9 1.8 -74.7 -13.9 -21.9 18.5 -24.9 33 62 A D S S- 0 0 44 4,-0.2 4,-0.2 231,-0.1 3,-0.2 -0.892 71.3-108.6-155.5-176.4 -21.6 15.3 -26.9 34 63 A N S S+ 0 0 11 -2,-0.3 229,-0.2 1,-0.1 4,-0.1 0.058 100.8 71.0-110.3 24.2 -19.5 13.3 -29.4 35 64 A T S S+ 0 0 57 2,-0.1 -1,-0.1 229,-0.1 298,-0.0 0.498 96.5 39.4-118.6 -8.1 -21.9 13.7 -32.3 36 65 A T S S- 0 0 83 1,-0.2 2,-0.3 -3,-0.2 -2,-0.1 0.756 103.3 -69.7-108.9 -83.8 -21.8 17.3 -33.3 37 66 A F - 0 0 88 -4,-0.2 -4,-0.2 227,-0.1 -1,-0.2 -0.988 52.7 -62.3-169.0 169.0 -18.4 19.0 -33.3 38 67 A F - 0 0 34 -2,-0.3 2,-0.4 -7,-0.1 227,-0.1 -0.331 37.2-165.9 -57.5 137.8 -15.5 20.4 -31.3 39 68 A V + 0 0 53 225,-0.4 -9,-2.8 34,-0.1 2,-0.4 -0.916 22.1 158.8-126.5 104.0 -16.4 23.3 -29.0 40 69 A M E +B 29 0A 6 -2,-0.4 33,-2.0 -11,-0.2 32,-0.6 -0.984 12.2 153.7-134.4 121.9 -13.2 24.9 -27.8 41 70 A N E + 0 0 77 -13,-0.5 22,-2.7 -2,-0.4 23,-0.5 0.663 63.4 22.3-117.5 -28.8 -12.9 28.4 -26.4 42 71 A E E - C 0 62A 16 -14,-0.4 -14,-2.1 20,-0.3 2,-0.4 -0.926 62.1-127.3-142.6 159.9 -9.9 28.5 -24.1 43 72 A W E -BC 27 61A 1 18,-2.8 17,-2.4 -2,-0.3 18,-1.2 -0.938 24.1-145.2-110.8 140.6 -6.6 26.8 -23.3 44 73 A L E -BC 26 59A 10 -18,-3.1 -18,-2.1 -2,-0.4 2,-0.4 -0.698 5.9-144.8-102.5 152.7 -5.7 25.7 -19.8 45 74 A V E +BC 25 58A 2 13,-2.5 12,-2.9 -2,-0.3 13,-0.7 -0.957 19.6 170.9-121.3 137.7 -2.3 25.6 -18.1 46 75 A Y E -BC 24 56A 16 -22,-2.5 -22,-2.8 -2,-0.4 2,-0.3 -0.920 9.6-162.8-134.5 161.7 -1.0 23.1 -15.6 47 76 A S E -BC 23 55A 0 8,-1.9 8,-3.1 -2,-0.3 2,-0.3 -0.996 6.8-179.9-148.7 156.8 2.4 22.4 -14.0 48 77 A S E -B 22 0A 0 -26,-1.9 -26,-2.8 -2,-0.3 6,-0.1 -0.997 25.6-157.7-150.8 145.6 4.3 19.7 -12.2 49 78 A D S S+ 0 0 49 4,-0.4 247,-0.6 -2,-0.3 5,-0.1 0.380 102.4 31.0-101.2 4.4 7.7 19.1 -10.6 50 79 A D S S- 0 0 12 3,-0.4 244,-2.4 245,-0.2 245,-0.1 0.397 99.0-119.2-140.0 3.9 7.4 15.3 -10.8 51 80 A M S S+ 0 0 2 2,-0.3 240,-0.2 242,-0.2 3,-0.1 0.456 104.9 66.0 68.7 3.4 5.2 14.5 -13.9 52 81 A A S S+ 0 0 36 1,-0.3 2,-0.5 238,-0.1 -1,-0.1 0.684 90.4 55.3-121.0 -39.2 2.6 12.9 -11.7 53 82 A N S S- 0 0 107 2,-0.0 2,-0.4 0, 0.0 -3,-0.4 -0.897 72.1-161.7-105.9 122.9 1.2 15.6 -9.5 54 83 A W - 0 0 46 -2,-0.5 2,-0.5 -50,-0.2 -6,-0.2 -0.881 12.6-151.8-116.3 131.1 -0.3 18.5 -11.4 55 84 A E E -C 47 0A 103 -8,-3.1 -8,-1.9 -2,-0.4 2,-0.5 -0.855 20.8-135.1 -93.7 129.2 -1.2 22.0 -10.2 56 85 A A E +C 46 0A 68 -2,-0.5 -10,-0.2 -10,-0.2 -12,-0.0 -0.724 24.4 176.5 -84.5 127.4 -4.0 23.7 -12.1 57 86 A H E - 0 0 59 -12,-2.9 -11,-0.2 -2,-0.5 -1,-0.1 0.498 38.0-135.3-103.9 -7.7 -3.3 27.3 -13.1 58 87 A G E -C 45 0A 25 -13,-0.7 -13,-2.5 2,-0.0 -1,-0.3 -0.369 55.3 -7.2 83.8-168.3 -6.6 27.8 -15.0 59 88 A P E +C 44 0A 58 0, 0.0 -15,-0.3 0, 0.0 3,-0.1 -0.426 51.5 179.8 -64.5 129.4 -7.1 29.4 -18.5 60 89 A G E + 0 0 16 -17,-2.4 54,-0.6 1,-0.4 2,-0.3 0.586 68.8 3.1-102.7 -16.5 -4.0 31.0 -19.8 61 90 A L E -C 43 0A 3 -18,-1.2 -18,-2.8 52,-0.1 -1,-0.4 -0.974 60.0-149.5-168.8 148.5 -5.5 32.2 -23.1 62 91 A R E > -C 42 0A 127 -2,-0.3 3,-2.1 -20,-0.2 -20,-0.3 -0.954 27.3-123.4-128.6 149.8 -8.7 32.4 -25.0 63 92 A A G > S+ 0 0 0 -22,-2.7 3,-1.6 -2,-0.3 6,-0.2 0.877 112.9 59.9 -59.1 -34.7 -9.4 32.4 -28.7 64 93 A K G 3 S+ 0 0 132 -23,-0.5 -1,-0.3 1,-0.3 5,-0.1 0.531 81.7 82.6 -73.8 -3.7 -11.3 35.6 -28.3 65 94 A D G < S+ 0 0 76 -3,-2.1 2,-0.7 1,-0.1 51,-0.5 0.575 80.2 75.4 -73.6 -8.4 -8.2 37.3 -26.9 66 95 A F S X S- 0 0 1 -3,-1.6 3,-2.1 -4,-0.2 -1,-0.1 -0.927 76.0-155.8-103.4 113.2 -7.3 37.7 -30.6 67 96 A T T 3 S+ 0 0 126 -2,-0.7 -1,-0.1 1,-0.3 -3,-0.0 0.744 92.1 53.3 -61.4 -23.5 -9.4 40.5 -31.9 68 97 A W T 3 S+ 0 0 15 -3,-0.1 26,-2.8 26,-0.1 2,-0.3 0.342 94.2 91.8 -95.5 3.4 -9.2 39.2 -35.5 69 98 A A E < -D 93 0B 9 -3,-2.1 24,-0.3 24,-0.3 3,-0.1 -0.740 60.3-153.5-102.4 149.9 -10.4 35.6 -34.6 70 99 A K E - 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