==== 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 3KL5 . COMPND 2 MOLECULE: GLUCURONOXYLANASE XYNC; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR F.J.ST JOHN,J.C.HURLBERT,E.POZHARSKI . 1535 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1105 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 204 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 231 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 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 . 17 1.1 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 . 141 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 166 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.4 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 8 0 6 0 3 3 8 1 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 6 12 9 6 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 PARALLEL BRIDGES PER LADDER . 10 7 5 5 3 5 1 8 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 8 0 0 0 0 1 4 0 0 3 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 3 A S 0 0 94 0, 0.0 337,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-154.7 88.9 42.0 19.6 2 4 A D E -a 338 0A 84 335,-0.1 2,-0.5 306,-0.1 337,-0.2 -0.846 360.0-154.8 -99.3 140.9 87.8 39.4 17.0 3 5 A V E -a 339 0A 0 335,-3.2 337,-3.8 -2,-0.4 2,-0.5 -0.986 14.0-157.8-104.6 120.4 84.9 39.9 14.6 4 6 A T E -a 340 0A 47 -2,-0.5 301,-1.9 335,-0.2 2,-0.5 -0.896 6.1-168.3 -98.7 130.7 83.6 36.5 13.5 5 7 A V E -aB 341 304A 0 335,-3.2 337,-2.8 -2,-0.5 2,-1.0 -0.959 6.4-158.3-118.2 108.2 81.6 36.5 10.3 6 8 A N E > -aB 342 303A 36 297,-2.1 3,-1.1 -2,-0.5 297,-0.6 -0.770 4.2-166.8 -94.7 103.8 79.8 33.2 9.7 7 9 A V E 3 S+ 0 0 4 335,-1.9 -1,-0.1 -2,-1.0 336,-0.1 0.648 86.7 50.0 -61.4 -17.5 79.0 32.9 6.0 8 10 A S E 3 S+ 0 0 67 334,-0.2 2,-1.7 1,-0.1 -1,-0.3 0.653 83.6 89.4 -99.0 -18.4 76.6 30.0 6.6 9 11 A A E < - 0 0 29 -3,-1.1 294,-2.0 294,-0.2 2,-0.2 -0.626 68.7-167.7 -81.4 89.1 74.4 31.6 9.3 10 12 A E E + B 0 302A 118 -2,-1.7 292,-0.2 292,-0.2 3,-0.1 -0.577 12.3 172.5 -83.9 142.5 71.9 33.2 6.9 11 13 A K E - 0 0 87 290,-3.0 2,-0.1 1,-0.3 -1,-0.1 0.067 47.3 -12.1-118.3-132.0 69.5 35.8 8.2 12 14 A Q E - 0 0 19 243,-0.2 289,-2.8 248,-0.1 2,-0.4 -0.426 63.4-120.2 -78.0 149.1 67.0 38.1 6.5 13 15 A V E - B 0 300A 55 287,-0.2 2,-0.4 -2,-0.1 287,-0.2 -0.752 30.7-127.5 -84.9 135.8 67.0 38.6 2.7 14 16 A I - 0 0 0 285,-3.2 284,-2.9 -2,-0.4 248,-0.2 -0.722 26.7-179.7 -90.8 131.5 67.6 42.3 1.8 15 17 A R - 0 0 68 246,-3.2 2,-0.3 -2,-0.4 247,-0.2 0.688 53.2-103.2 -96.6 -29.2 65.2 44.1 -0.6 16 18 A G E -l 262 0B 0 245,-1.2 247,-1.6 280,-0.1 2,-0.3 -0.890 24.5 -84.8 141.9-164.2 67.0 47.4 -0.5 17 19 A F E +l 263 0B 1 -2,-0.3 31,-2.5 245,-0.2 32,-1.3 -0.982 48.8 114.3-146.3 144.9 67.4 51.0 0.7 18 20 A G E -lm 264 49B 0 245,-1.8 247,-3.3 -2,-0.3 2,-0.2 -0.926 39.8-106.0-178.8-152.5 66.0 54.3 -0.4 19 21 A G E - m 0 50B 0 30,-0.9 32,-2.7 245,-0.3 2,-0.3 -0.796 31.9 -77.2-151.5-171.6 63.8 57.3 0.3 20 22 A M E -lm 267 51B 2 246,-1.6 248,-2.2 -2,-0.2 2,-0.4 -0.674 23.0-158.2-100.9 149.9 60.6 59.1 -0.4 21 23 A N + 0 0 4 30,-2.1 32,-0.5 -2,-0.3 7,-0.1 -1.000 16.2 168.8-123.3 129.3 59.6 61.4 -3.3 22 24 A H >> + 0 0 2 -2,-0.4 4,-3.2 5,-0.3 5,-1.2 -0.755 9.8 179.4-140.1 92.3 56.8 63.9 -2.7 23 25 A P T 45S+ 0 0 20 0, 0.0 4,-0.5 0, 0.0 5,-0.3 0.878 84.1 51.3 -64.8 -35.8 56.4 66.4 -5.5 24 26 A A T 45S+ 0 0 64 1,-0.2 -2,-0.1 3,-0.2 4,-0.0 0.968 124.3 24.6 -61.4 -55.4 53.4 68.1 -3.8 25 27 A W T 45S+ 0 0 131 1,-0.1 -1,-0.2 2,-0.1 0, 0.0 0.737 142.6 16.4 -85.9 -26.2 55.1 68.6 -0.4 26 28 A A T <5S- 0 0 18 -4,-3.2 -2,-0.1 244,-0.0 -1,-0.1 0.572 107.6-102.8-123.7 -19.8 58.8 68.6 -1.3 27 29 A G < - 0 0 28 -5,-1.2 -5,-0.3 -4,-0.5 -3,-0.2 0.459 43.4 -83.0 90.8 124.6 58.9 69.2 -5.0 28 30 A D - 0 0 43 -5,-0.3 2,-0.1 1,-0.1 36,-0.1 -0.088 51.5 -97.8 -54.4 151.6 59.6 66.4 -7.5 29 31 A L - 0 0 5 1,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.417 38.5-118.9 -67.4 148.7 63.2 65.4 -8.2 30 32 A T > - 0 0 72 -3,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.467 31.3-100.1 -81.6 164.7 64.9 66.9 -11.2 31 33 A A H > S+ 0 0 66 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.857 125.7 47.6 -51.8 -42.2 66.1 64.6 -14.0 32 34 A A H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.878 108.6 54.3 -67.8 -40.6 69.7 64.9 -12.8 33 35 A Q H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.811 102.9 57.3 -63.6 -32.4 68.6 64.3 -9.2 34 36 A R H X S+ 0 0 21 -4,-1.9 4,-2.1 2,-0.2 5,-0.4 0.826 106.0 50.4 -66.4 -35.0 66.9 61.0 -10.3 35 37 A E H X S+ 0 0 71 -4,-1.0 4,-2.1 -3,-0.3 -2,-0.2 0.923 110.9 48.4 -66.4 -44.5 70.3 59.9 -11.7 36 38 A T H < S+ 0 0 25 -4,-1.9 9,-3.5 1,-0.2 10,-0.4 0.862 114.8 46.5 -64.6 -36.5 72.0 60.7 -8.4 37 39 A A H < S+ 0 0 0 -4,-2.1 10,-2.6 7,-0.2 -2,-0.2 0.923 127.0 20.0 -74.1 -44.3 69.3 58.9 -6.4 38 40 A F H < S+ 0 0 3 -4,-2.1 -3,-0.2 8,-0.2 -2,-0.2 0.700 98.8 93.1-109.6 -20.0 69.0 55.6 -8.3 39 41 A G < - 0 0 4 -4,-2.1 7,-2.3 -5,-0.4 8,-0.3 -0.412 60.9-150.6 -65.8 146.5 72.2 55.3 -10.3 40 42 A N + 0 0 33 5,-0.2 446,-0.4 6,-0.2 -1,-0.1 -0.110 57.0 115.6-111.3 36.7 74.9 53.3 -8.7 41 43 A G S > S- 0 0 29 1,-0.2 3,-1.8 444,-0.1 5,-0.1 -0.328 81.9 -58.1 -87.9 177.2 77.8 55.1 -10.3 42 44 A Q T 3 S+ 0 0 173 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.303 128.4 16.8 -54.1 139.4 80.5 57.2 -8.7 43 45 A N T 3 S+ 0 0 102 1,-0.2 2,-0.3 317,-0.1 -1,-0.3 0.649 106.8 110.7 63.6 18.3 78.8 60.1 -6.8 44 46 A Q < - 0 0 43 -3,-1.8 -1,-0.2 1,-0.1 -7,-0.2 -0.880 68.6-133.6-121.8 158.4 75.5 58.4 -6.8 45 47 A L - 0 0 0 -9,-3.5 -5,-0.2 -2,-0.3 -8,-0.2 0.697 21.8-145.5 -83.9 -24.0 73.4 56.9 -4.0 46 48 A G - 0 0 0 -7,-2.3 -8,-0.2 -10,-0.4 2,-0.2 0.870 26.9-178.4 57.4 37.5 72.3 53.5 -5.6 47 49 A F - 0 0 2 -10,-2.6 -29,-0.2 -8,-0.3 -1,-0.2 -0.530 14.8-169.5 -66.8 135.7 69.0 53.6 -3.8 48 50 A S + 0 0 2 -31,-2.5 29,-2.3 -2,-0.2 2,-0.4 0.323 65.2 56.1-112.0 0.8 67.1 50.4 -4.8 49 51 A I E -mn 18 77B 0 -32,-1.3 -30,-0.9 27,-0.3 2,-0.4 -0.992 58.7-168.2-135.4 141.4 63.7 51.4 -3.3 50 52 A L E -mn 19 78B 0 27,-2.2 29,-2.3 -2,-0.4 2,-0.4 -0.995 6.5-158.3-129.3 128.1 61.5 54.4 -3.9 51 53 A R E +mn 20 79B 0 -32,-2.7 -30,-2.1 -2,-0.4 2,-0.3 -0.873 16.2 173.1 -98.9 138.3 58.5 55.4 -1.8 52 54 A I E - n 0 80B 0 27,-2.0 29,-1.9 -2,-0.4 2,-0.3 -0.898 28.1-111.3-133.7 165.9 55.8 57.6 -3.3 53 55 A H E - n 0 81B 9 -32,-0.5 2,-0.9 -2,-0.3 11,-0.1 -0.746 13.5-129.5-104.6 149.6 52.4 58.6 -1.9 54 56 A V E - n 0 82B 2 27,-2.0 29,-0.7 -2,-0.3 30,-0.3 -0.843 32.5-140.0 -91.9 103.6 48.9 57.7 -3.0 55 57 A D - 0 0 18 -2,-0.9 6,-0.1 1,-0.1 64,-0.0 -0.344 8.8-133.0 -63.7 144.1 47.1 61.0 -3.3 56 58 A E S S+ 0 0 72 1,-0.2 2,-0.6 29,-0.2 -1,-0.1 0.658 97.4 62.1 -69.4 -16.4 43.5 61.1 -2.1 57 59 A N S > S- 0 0 66 1,-0.1 3,-2.9 29,-0.1 4,-0.4 -0.922 74.6-152.8-118.2 107.2 42.6 62.9 -5.4 58 60 A R G > S+ 0 0 135 -2,-0.6 3,-0.9 1,-0.3 4,-0.5 0.673 90.5 72.2 -49.2 -26.0 43.3 60.9 -8.6 59 61 A N G 3 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.688 98.3 50.9 -67.5 -16.3 43.8 64.0 -10.6 60 62 A N G X S+ 0 0 42 -3,-2.9 3,-1.9 1,-0.1 4,-0.3 0.614 84.0 89.8 -92.4 -16.6 47.1 64.4 -8.8 61 63 A W G X S+ 0 0 3 -3,-0.9 3,-2.2 -4,-0.4 4,-0.3 0.855 74.7 67.0 -48.8 -45.6 48.3 60.8 -9.5 62 64 A Y G > S+ 0 0 147 -4,-0.5 3,-1.2 1,-0.3 4,-0.4 0.718 86.3 72.2 -48.9 -28.0 50.0 61.8 -12.8 63 65 A K G < S+ 0 0 76 -3,-1.9 4,-0.3 1,-0.2 -1,-0.3 0.689 92.0 56.1 -65.6 -19.4 52.6 63.9 -10.8 64 66 A E G <> S+ 0 0 3 -3,-2.2 4,-1.7 -4,-0.3 -1,-0.2 0.602 87.2 84.0 -86.8 -12.0 54.4 60.8 -9.4 65 67 A V H <> S+ 0 0 15 -3,-1.2 4,-3.2 -4,-0.3 5,-0.3 0.887 80.2 51.7 -70.0 -52.1 55.1 59.1 -12.8 66 68 A E H > S+ 0 0 135 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.913 115.8 41.8 -53.1 -49.4 58.4 60.6 -14.2 67 69 A T H > S+ 0 0 0 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.889 115.7 49.8 -67.1 -40.8 60.3 60.0 -11.0 68 70 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.901 109.8 51.4 -64.6 -42.6 58.8 56.5 -10.5 69 71 A K H X S+ 0 0 110 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.882 108.5 53.0 -57.8 -41.3 59.6 55.6 -14.1 70 72 A S H X S+ 0 0 13 -4,-1.8 4,-1.4 -5,-0.3 -2,-0.2 0.917 106.8 50.9 -64.2 -42.9 63.2 56.7 -13.5 71 73 A A H <>S+ 0 0 0 -4,-2.0 5,-3.0 2,-0.2 -1,-0.2 0.895 111.5 47.5 -61.6 -42.6 63.6 54.5 -10.5 72 74 A V H ><5S+ 0 0 58 -4,-1.9 3,-2.7 1,-0.2 -2,-0.2 0.945 104.8 59.3 -64.8 -49.5 62.3 51.4 -12.4 73 75 A K H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 109.6 45.9 -43.7 -38.0 64.6 52.2 -15.3 74 76 A H T 3<5S- 0 0 52 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.395 125.2-102.2 -91.6 0.1 67.4 51.9 -12.7 75 77 A G T < 5S+ 0 0 49 -3,-2.7 2,-0.2 1,-0.3 -3,-0.2 0.591 73.8 141.6 92.3 11.5 66.1 48.6 -11.2 76 78 A A < - 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0 0 103 -2,-0.3 2,-0.8 6,-0.1 5,-0.2 -0.725 39.2-176.4 -85.5 104.5 35.0 61.9 18.8 95 97 A R E > S-T 98 0C 88 3,-3.4 3,-2.3 -2,-1.0 5,-0.1 -0.868 73.2 -44.7-101.2 100.3 38.4 60.4 19.5 96 98 A N T 3 S- 0 0 153 -2,-0.8 -1,-0.1 1,-0.3 3,-0.1 0.812 124.6 -36.1 44.2 41.9 38.9 60.7 23.3 97 99 A G T 3 S+ 0 0 60 1,-0.3 2,-0.7 2,-0.0 -1,-0.3 0.202 115.7 111.9 99.4 -17.7 37.6 64.3 23.3 98 100 A D E < +T 95 0C 62 -3,-2.3 -3,-3.4 1,-0.1 3,-0.3 -0.849 39.0 178.5 -89.1 117.5 39.1 65.3 20.0 99 101 A T E S+ 0 0 100 -2,-0.7 -6,-0.2 -5,-0.2 -1,-0.1 0.518 72.5 70.2 -96.6 -10.3 36.2 65.9 17.6 100 102 A S E S+ 0 0 81 -8,-0.1 2,-0.2 -5,-0.1 -1,-0.2 0.441 72.1 128.3 -81.0 1.8 38.3 66.9 14.6 101 103 A A E -T 93 0C 2 -8,-0.7 -8,-1.6 -3,-0.3 2,-0.3 -0.398 49.0-148.5 -66.8 125.0 39.5 63.3 14.4 102 104 A K E +Tu 92 146C 76 43,-0.6 45,-2.7 40,-0.3 2,-0.3 -0.717 21.8 165.9 -95.7 142.3 39.1 61.8 10.9 103 105 A R E -T 91 0C 54 -12,-2.6 -12,-2.6 -2,-0.3 2,-0.3 -0.968 41.9 -95.0-142.5 166.5 38.4 58.1 10.0 104 106 A L E -T 90 0C 3 43,-0.5 -14,-0.2 -2,-0.3 2,-0.2 -0.656 52.5-104.8 -75.9 135.5 37.4 56.0 7.0 105 107 A K > - 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