==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-NOV-09 3KL3 . COMPND 2 MOLECULE: GLUCURONOXYLANASE XYNC; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR F.J.ST JOHN,J.C.HURLBERT,E.POZHARSKI . 1538 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1096 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 198 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 235 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 1.2 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 . 139 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 162 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 265 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 5 3 5 1 4 5 7 0 4 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 6 9 9 8 3 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 6 7 3 3 6 3 6 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 7 0 0 0 0 0 4 1 1 2 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 2 A A 0 0 95 0, 0.0 2,-0.3 0, 0.0 337,-0.1 0.000 360.0 360.0 360.0-125.7 -90.6 44.2 -20.8 2 3 A S - 0 0 58 335,-0.5 337,-1.6 2,-0.0 2,-0.3 -0.988 360.0 -91.9-164.7 168.6 -88.9 41.1 -19.4 3 4 A D E -a 339 0A 92 -2,-0.3 2,-0.5 335,-0.1 337,-0.2 -0.647 28.3-148.7 -76.4 150.8 -88.0 38.8 -16.6 4 5 A V E -a 340 0A 0 335,-2.5 337,-3.5 -2,-0.3 2,-0.5 -0.996 17.1-154.5-110.4 122.6 -85.0 39.6 -14.6 5 6 A T E -a 341 0A 41 -2,-0.5 301,-2.0 335,-0.2 2,-0.5 -0.864 9.0-168.1 -98.4 130.2 -83.6 36.2 -13.4 6 7 A V E -aB 342 305A 0 335,-2.6 337,-2.8 -2,-0.5 2,-0.9 -0.987 7.4-156.7-118.0 116.2 -81.5 36.2 -10.3 7 8 A N E > -aB 343 304A 36 297,-2.7 3,-1.8 -2,-0.5 297,-0.7 -0.833 6.5-170.6-100.6 97.7 -79.7 33.0 -9.7 8 9 A V E 3 S+ 0 0 18 335,-1.8 -1,-0.1 -2,-0.9 336,-0.1 0.707 86.8 52.9 -56.5 -22.3 -78.9 32.8 -5.9 9 10 A S E 3 S+ 0 0 74 334,-0.4 2,-1.2 1,-0.1 -1,-0.3 0.546 86.1 85.0 -93.4 -10.1 -76.7 29.7 -6.6 10 11 A A E < S- 0 0 27 -3,-1.8 294,-1.9 294,-0.2 2,-0.2 -0.695 70.1-166.9 -98.1 86.4 -74.5 31.3 -9.3 11 12 A E E + B 0 303A 115 -2,-1.2 292,-0.2 292,-0.2 3,-0.1 -0.470 13.7 173.9 -82.9 142.2 -71.9 33.0 -7.1 12 13 A K E - 0 0 91 290,-3.2 2,-0.1 1,-0.3 -1,-0.1 0.067 49.3 -15.9-113.5-135.2 -69.4 35.6 -8.4 13 14 A Q E - 0 0 21 243,-0.2 289,-2.9 248,-0.1 2,-0.4 -0.403 62.2-117.2 -76.1 148.6 -66.9 37.7 -6.5 14 15 A V E - B 0 301A 54 287,-0.3 2,-0.4 -2,-0.1 287,-0.3 -0.717 32.4-127.5 -79.2 132.1 -66.9 38.3 -2.7 15 16 A I - 0 0 1 285,-3.6 284,-2.5 -2,-0.4 285,-0.2 -0.689 25.8-178.4 -87.5 132.4 -67.4 42.0 -1.9 16 17 A R - 0 0 75 246,-3.8 2,-0.3 -2,-0.4 247,-0.2 0.710 53.5 -90.0 -96.5 -30.4 -65.0 43.7 0.4 17 18 A G E -k 263 0B 0 245,-1.4 247,-1.8 280,-0.1 2,-0.3 -0.871 24.8 -95.6 150.0 179.5 -66.6 47.1 0.4 18 19 A F E +k 264 0B 1 -2,-0.3 31,-2.7 245,-0.2 32,-1.3 -0.962 51.5 114.3-131.7 146.3 -67.3 50.7 -0.9 19 20 A G E -kl 265 50B 0 245,-1.9 247,-3.1 -2,-0.3 2,-0.3 -0.883 39.9-113.0-175.2-146.6 -65.7 53.9 0.3 20 21 A G E - l 0 51B 0 30,-1.1 32,-2.6 245,-0.3 2,-0.3 -0.926 30.8 -72.1-165.3-177.7 -63.5 56.8 -0.4 21 22 A M E -kl 268 52B 2 246,-2.0 248,-2.3 -2,-0.3 2,-0.4 -0.660 23.7-162.9 -97.3 139.1 -60.4 58.8 0.3 22 23 A N + 0 0 5 30,-2.2 32,-0.4 -2,-0.3 7,-0.1 -0.994 14.6 171.3-115.1 131.9 -59.4 61.0 3.3 23 24 A H >> - 0 0 5 -2,-0.4 4,-2.7 5,-0.3 5,-1.2 -0.733 11.7-177.5-144.8 92.0 -56.5 63.4 2.8 24 25 A P T 45S+ 0 0 24 0, 0.0 4,-0.4 0, 0.0 5,-0.3 0.841 82.6 52.3 -58.4 -40.9 -55.9 66.0 5.6 25 26 A A T 45S+ 0 0 58 1,-0.1 -2,-0.0 3,-0.1 4,-0.0 0.879 123.8 22.8 -66.7 -41.4 -53.0 67.8 3.8 26 27 A W T 45S+ 0 0 139 -3,-0.2 -1,-0.1 2,-0.1 3,-0.0 0.809 140.1 18.9 -97.4 -35.6 -54.8 68.5 0.5 27 28 A A T <5S- 0 0 18 -4,-2.7 -2,-0.1 244,-0.0 -1,-0.0 0.598 105.5-110.1-112.8 -19.2 -58.5 68.4 1.3 28 29 A G < - 0 0 28 -5,-1.2 -5,-0.3 -4,-0.4 -3,-0.1 0.299 41.4 -75.2 89.4 137.2 -58.7 68.8 5.0 29 30 A D - 0 0 47 -5,-0.3 2,-0.2 1,-0.1 36,-0.0 -0.127 48.8-102.0 -60.8 154.0 -59.6 66.1 7.5 30 31 A L - 0 0 4 1,-0.1 -1,-0.1 4,-0.1 2,-0.1 -0.579 40.5-122.9 -67.0 142.6 -63.2 65.0 8.0 31 32 A T > - 0 0 72 -2,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.329 30.4 -95.0 -77.2 170.7 -64.7 66.5 11.2 32 33 A A H > S+ 0 0 66 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.827 127.8 45.9 -55.0 -36.5 -66.2 64.3 14.0 33 34 A A H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 110.8 51.6 -76.3 -41.2 -69.7 64.7 12.5 34 35 A Q H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.794 104.9 57.4 -64.9 -31.9 -68.6 64.0 8.9 35 36 A R H X S+ 0 0 39 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.919 108.6 46.1 -62.5 -46.3 -66.8 60.8 10.1 36 37 A E H X S+ 0 0 63 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.899 113.9 48.4 -62.0 -43.5 -70.2 59.6 11.5 37 38 A T H < S+ 0 0 29 -4,-2.1 9,-3.0 1,-0.2 10,-0.5 0.911 115.7 45.9 -63.0 -42.1 -71.9 60.6 8.3 38 39 A A H < S+ 0 0 0 -4,-2.6 10,-2.0 7,-0.2 -2,-0.2 0.885 127.0 21.2 -67.8 -43.8 -69.3 58.8 6.2 39 40 A F H < S+ 0 0 3 -4,-2.6 -3,-0.2 8,-0.2 -2,-0.2 0.590 97.4 92.3-113.8 -12.9 -69.0 55.5 8.1 40 41 A G < - 0 0 3 -4,-2.1 7,-1.8 -5,-0.3 8,-0.2 -0.451 61.5-147.0 -74.9 155.9 -72.1 54.9 10.1 41 42 A N + 0 0 37 6,-0.2 445,-0.3 5,-0.1 3,-0.1 -0.004 60.0 108.4-116.5 28.7 -74.9 53.0 8.5 42 43 A G S > S- 0 0 33 1,-0.2 3,-1.2 443,-0.1 2,-0.1 -0.148 84.5 -48.5 -85.4-168.9 -77.9 54.7 10.0 43 44 A Q T 3 S+ 0 0 173 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.384 129.0 12.1 -66.7 138.0 -80.4 57.1 8.4 44 45 A N T 3 S+ 0 0 99 1,-0.2 2,-0.4 317,-0.1 -1,-0.3 0.801 104.0 117.6 60.0 33.0 -78.7 59.8 6.3 45 46 A Q < - 0 0 46 -3,-1.2 -1,-0.2 1,-0.1 -7,-0.2 -0.984 66.4-134.6-129.6 145.0 -75.3 58.1 6.6 46 47 A L - 0 0 0 -9,-3.0 -8,-0.2 -2,-0.4 -5,-0.1 0.777 23.8-145.8 -67.3 -33.0 -73.1 56.7 3.7 47 48 A G - 0 0 0 -7,-1.8 -8,-0.2 -10,-0.5 -29,-0.2 0.773 27.3-178.4 68.3 28.5 -72.3 53.3 5.3 48 49 A F - 0 0 1 -10,-2.0 -29,-0.2 -8,-0.2 -1,-0.2 -0.379 16.1-170.6 -61.8 138.3 -68.9 53.3 3.7 49 50 A S + 0 0 2 -31,-2.7 29,-2.1 28,-0.1 2,-0.3 0.256 65.6 56.2-118.8 4.2 -67.0 50.2 4.6 50 51 A I E -lm 19 78B 0 -32,-1.3 -30,-1.1 27,-0.2 2,-0.4 -0.998 58.7-168.9-134.9 139.3 -63.6 51.1 3.2 51 52 A L E -lm 20 79B 0 27,-2.3 29,-2.4 -2,-0.3 2,-0.4 -0.999 8.2-157.0-124.5 128.4 -61.4 54.1 4.0 52 53 A R E +lm 21 80B 0 -32,-2.6 -30,-2.2 -2,-0.4 2,-0.3 -0.851 15.6 177.9 -98.9 140.9 -58.3 55.0 1.9 53 54 A I E - m 0 81B 0 27,-2.1 29,-2.4 -2,-0.4 2,-0.3 -0.887 24.9-113.4-134.8 165.2 -55.6 57.1 3.4 54 55 A H E - m 0 82B 10 -32,-0.4 2,-0.9 -2,-0.3 11,-0.1 -0.771 14.9-130.2-103.3 148.2 -52.2 58.3 2.2 55 56 A V E - m 0 83B 2 27,-1.7 29,-0.6 -2,-0.3 30,-0.4 -0.862 35.4-133.7 -89.6 103.1 -48.7 57.4 3.4 56 57 A D - 0 0 21 -2,-0.9 6,-0.1 1,-0.1 64,-0.0 -0.260 5.0-131.4 -57.9 142.7 -47.1 60.8 3.9 57 58 A E S S+ 0 0 76 1,-0.1 2,-0.6 29,-0.1 -1,-0.1 0.835 97.8 56.7 -58.6 -38.8 -43.6 61.3 2.5 58 59 A N S > S- 0 0 77 1,-0.1 3,-2.1 29,-0.1 4,-0.4 -0.899 78.8-146.4-107.0 120.4 -42.5 62.7 5.8 59 60 A R T 3 S+ 0 0 134 -2,-0.6 4,-0.2 1,-0.3 -1,-0.1 0.450 93.4 68.2 -71.3 -1.1 -43.0 60.5 8.8 60 61 A N T 3 S+ 0 0 123 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.569 95.9 57.0 -89.3 -11.9 -43.7 63.4 11.2 61 62 A N S X S+ 0 0 44 -3,-2.1 3,-2.3 1,-0.2 4,-0.2 0.674 79.9 92.3 -85.3 -21.4 -47.0 64.0 9.3 62 63 A W G > S+ 0 0 2 -4,-0.4 3,-1.7 1,-0.3 4,-0.3 0.713 70.5 70.0 -47.7 -34.1 -48.3 60.4 9.9 63 64 A Y G > S+ 0 0 144 -3,-0.3 3,-1.5 1,-0.3 4,-0.5 0.779 84.3 72.0 -56.7 -29.6 -50.2 61.4 13.1 64 65 A K G < S+ 0 0 79 -3,-2.3 4,-0.3 1,-0.3 -1,-0.3 0.705 92.6 55.4 -62.4 -20.1 -52.7 63.4 11.1 65 66 A E G <> S+ 0 0 2 -3,-1.7 4,-1.7 -4,-0.2 -1,-0.3 0.644 88.4 82.2 -85.4 -14.7 -54.2 60.2 9.6 66 67 A V H <> S+ 0 0 12 -3,-1.5 4,-2.9 -4,-0.3 5,-0.2 0.892 82.4 52.0 -66.0 -49.3 -55.0 58.6 13.0 67 68 A E H > S+ 0 0 111 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.911 114.6 40.1 -59.5 -49.7 -58.3 60.2 14.1 68 69 A T H > S+ 0 0 0 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.882 115.4 53.3 -69.0 -36.3 -60.3 59.5 11.0 69 70 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.905 108.0 49.7 -64.7 -42.8 -58.8 56.0 10.6 70 71 A K H X S+ 0 0 104 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.896 109.8 52.5 -60.8 -40.5 -59.7 55.1 14.2 71 72 A S H X S+ 0 0 6 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.850 108.4 50.5 -63.0 -34.3 -63.3 56.3 13.5 72 73 A A H <>S+ 0 0 0 -4,-1.7 5,-2.6 2,-0.2 3,-0.4 0.942 112.2 45.5 -70.5 -46.2 -63.5 54.1 10.4 73 74 A V H ><5S+ 0 0 60 -4,-2.2 3,-2.9 1,-0.2 -2,-0.2 0.950 107.3 59.4 -60.3 -50.7 -62.3 51.0 12.3 74 75 A K H 3<5S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.819 107.4 47.6 -39.9 -42.8 -64.7 51.9 15.1 75 76 A H T 3<5S- 0 0 56 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.376 126.1 -99.7 -86.9 4.0 -67.5 51.6 12.5 76 77 A G T < 5S+ 0 0 52 -3,-2.9 -3,-0.2 1,-0.3 2,-0.1 0.461 75.9 142.5 93.6 -0.7 -66.3 48.3 11.1 77 78 A A < - 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