==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-12 4FMV . COMPND 2 MOLECULE: GLUCURONOARABINOXYLAN ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PAPYROSOLVENS; . AUTHOR E.B.BALES,J.K.SMITH,F.J.ST JOHN,J.C.HURLBERT . 386 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 . 34 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 1 1 0 2 0 2 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 2 3 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 PARALLEL BRIDGES PER LADDER . 3 2 1 1 1 2 0 2 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 1 0 0 0 0 0 1 0 0 1 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 0 101 0, 0.0 334,-0.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 147.8 27.9 -16.1 26.8 2 4 A D - 0 0 74 332,-0.1 2,-0.5 1,-0.1 334,-0.2 -0.324 360.0-125.2 -71.0 153.3 26.4 -18.3 29.5 3 5 A V E -a 336 0A 0 332,-2.7 334,-3.1 300,-0.1 2,-0.6 -0.886 19.0-154.0 -95.4 129.2 22.8 -19.5 29.5 4 6 A T E -a 337 0A 47 -2,-0.5 298,-1.2 332,-0.2 2,-0.7 -0.928 5.6-164.7-101.2 118.1 20.9 -18.7 32.6 5 7 A V E -aB 338 301A 1 332,-3.6 334,-2.8 -2,-0.6 2,-1.0 -0.913 4.0-160.9-102.1 113.3 18.0 -21.1 33.3 6 8 A N E > -aB 339 300A 26 294,-3.0 3,-1.6 -2,-0.7 294,-0.6 -0.807 9.3-175.6-101.2 105.3 15.6 -19.6 35.8 7 9 A L E 3 S+ 0 0 23 332,-2.2 333,-0.2 -2,-1.0 -1,-0.2 0.604 81.2 60.7 -73.8 -12.8 13.6 -22.4 37.2 8 10 A G E 3 S+ 0 0 53 331,-0.4 2,-0.7 1,-0.1 -1,-0.3 0.481 90.0 75.7 -95.3 -5.5 11.6 -20.0 39.3 9 11 A S E < - 0 0 32 -3,-1.6 291,-2.2 291,-0.2 2,-0.2 -0.862 69.5-164.0-114.4 106.5 10.3 -18.1 36.3 10 12 A T E + B 0 299A 71 -2,-0.7 289,-0.3 289,-0.2 2,-0.1 -0.557 11.9 179.7-100.0 149.6 7.5 -19.9 34.5 11 13 A K E - 0 0 84 287,-3.3 -1,-0.1 1,-0.4 289,-0.0 -0.012 54.3 -16.5-123.8-159.2 6.1 -19.3 31.0 12 14 A Q E - 0 0 23 240,-0.2 286,-2.7 285,-0.1 -1,-0.4 -0.209 68.7-110.5 -55.9 150.9 3.3 -21.2 29.2 13 15 A E E - B 0 297A 81 284,-0.2 2,-0.6 243,-0.1 284,-0.3 -0.611 31.9-120.8 -78.5 141.0 2.2 -24.7 30.3 14 16 A I + 0 0 0 282,-3.7 281,-3.0 -2,-0.3 282,-0.3 -0.759 28.1 179.3 -89.8 120.2 3.1 -27.5 27.9 15 17 A R - 0 0 46 243,-2.9 2,-0.3 -2,-0.6 244,-0.2 0.841 52.6-101.0 -81.5 -39.2 0.1 -29.5 26.5 16 18 A G E -l 259 0B 0 242,-1.4 244,-1.1 277,-0.1 2,-0.3 -0.958 24.3 -94.5 149.8-166.7 2.3 -31.8 24.5 17 19 A F E +l 260 0B 0 -2,-0.3 25,-2.0 242,-0.2 26,-1.2 -0.978 47.1 123.8-149.5 150.5 3.8 -32.7 21.1 18 20 A G E -lm 261 43B 0 242,-1.4 244,-3.0 -2,-0.3 2,-0.2 -0.885 38.8-111.1-178.8-157.3 2.6 -35.1 18.4 19 21 A A E - m 0 44B 0 24,-1.2 26,-2.3 242,-0.3 2,-0.4 -0.801 32.7 -89.1-153.0-171.7 1.6 -35.8 14.8 20 22 A S E -lm 264 45B 0 243,-2.1 245,-1.8 -2,-0.2 26,-0.2 -0.925 7.8-162.8-122.4 140.4 -1.4 -36.7 12.7 21 23 A S > + 0 0 1 24,-2.1 3,-2.1 -2,-0.4 4,-0.2 0.247 46.3 143.3 -91.7 6.7 -2.9 -40.1 11.6 22 24 A A T 3 S- 0 0 0 23,-0.6 243,-0.1 1,-0.3 -2,-0.1 -0.264 77.2 -3.3 -52.6 131.4 -4.9 -38.3 8.9 23 25 A W T 3 S+ 0 0 108 24,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.665 101.3 114.1 57.1 21.2 -5.2 -40.4 5.7 24 26 A C < - 0 0 17 -3,-2.1 -2,-0.1 1,-0.4 -1,-0.1 0.294 65.6-148.4 -95.9 5.9 -3.0 -43.1 7.3 25 27 A G - 0 0 43 -4,-0.2 2,-0.8 1,-0.1 -1,-0.4 -0.350 65.9 -14.1 57.2-138.7 -5.7 -45.7 7.4 26 28 A T S S- 0 0 89 -3,-0.1 2,-0.1 43,-0.1 41,-0.1 -0.859 78.1-142.7 -95.5 111.5 -5.2 -47.9 10.4 27 29 A I - 0 0 5 -2,-0.8 46,-0.1 39,-0.3 -2,-0.1 -0.458 22.3-109.3 -76.2 143.4 -1.7 -47.3 11.7 28 30 A S > - 0 0 46 246,-0.2 4,-2.1 -2,-0.1 5,-0.2 -0.249 17.0-119.2 -69.1 157.1 0.2 -50.4 13.0 29 31 A D H > S+ 0 0 95 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.904 114.6 61.6 -56.7 -39.4 0.9 -51.1 16.7 30 32 A Y H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 107.5 40.3 -54.5 -51.0 4.6 -51.0 15.6 31 33 A V H > S+ 0 0 0 2,-0.2 4,-2.5 243,-0.2 5,-0.3 0.928 117.3 47.8 -68.7 -43.4 4.5 -47.4 14.4 32 34 A M H X>S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.8 0.870 111.7 51.8 -63.2 -37.1 2.3 -46.1 17.2 33 35 A N H X>S+ 0 0 60 -4,-3.1 5,-2.5 -5,-0.2 4,-0.7 0.873 111.7 46.8 -67.5 -36.9 4.6 -47.9 19.8 34 36 A S H <>S+ 0 0 13 -4,-2.0 5,-2.1 -5,-0.3 -2,-0.2 0.938 124.3 31.1 -67.6 -48.1 7.6 -46.3 18.2 35 37 A L H <5S+ 0 0 0 -4,-2.5 6,-2.5 3,-0.2 -2,-0.2 0.912 131.3 31.4 -79.1 -49.0 6.1 -42.8 18.1 36 38 A Y H <5S+ 0 0 4 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.796 133.0 28.4 -83.9 -37.8 3.8 -42.8 21.1 37 39 A G T < - 0 0 54 -2,-0.6 3,-1.2 1,-0.2 4,-0.1 -0.564 23.1-175.0 -88.4 110.7 -13.7 -38.6 7.4 50 52 A E G > S+ 0 0 37 -2,-0.8 3,-2.6 1,-0.3 40,-0.4 0.568 70.0 91.5 -79.8 -7.1 -16.5 -36.9 5.4 51 53 A G G 3 + 0 0 33 1,-0.3 -1,-0.3 12,-0.1 3,-0.1 0.648 68.6 78.5 -60.2 -16.5 -16.6 -40.0 3.1 52 54 A I G X S- 0 0 11 -3,-1.2 3,-1.7 1,-0.2 -1,-0.3 0.782 79.8-175.9 -60.4 -28.1 -19.2 -41.2 5.6 53 55 A G T < - 0 0 22 -3,-2.6 3,-0.5 1,-0.2 -1,-0.2 -0.434 61.8 -24.8 65.9-134.4 -21.6 -38.9 3.8 54 56 A D T > S+ 0 0 77 1,-0.2 3,-2.2 -2,-0.1 4,-0.4 0.460 111.9 99.9 -91.4 0.6 -25.0 -38.8 5.5 55 57 A A G X > + 0 0 34 -3,-1.7 5,-1.9 1,-0.3 3,-0.9 0.700 66.8 74.0 -64.8 -18.7 -24.6 -42.3 7.1 56 58 A W G > 5S+ 0 0 20 -3,-0.5 3,-0.7 1,-0.2 -1,-0.3 0.798 87.6 62.5 -61.2 -28.3 -23.7 -40.6 10.4 57 59 A K G < 5S+ 0 0 109 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.795 106.7 43.2 -67.8 -29.7 -27.4 -39.7 10.8 58 60 A T G < 5S- 0 0 123 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.366 118.7-109.9 -97.0 2.5 -28.3 -43.4 10.9 59 61 A G T < 5 + 0 0 42 -3,-0.7 2,-0.9 -4,-0.4 -3,-0.2 0.720 69.4 140.2 80.5 23.8 -25.4 -44.3 13.2 60 62 A N < + 0 0 88 -5,-1.9 3,-0.3 1,-0.1 -1,-0.2 -0.836 16.1 165.2-100.7 103.8 -23.2 -46.3 10.8 61 63 A F > + 0 0 46 -2,-0.9 3,-2.4 1,-0.2 4,-0.4 0.121 31.5 119.5 -99.6 7.8 -19.8 -45.2 11.9 62 64 A S G > S+ 0 0 70 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.847 72.2 59.2 -50.6 -33.4 -17.6 -47.8 10.1 63 65 A K G 3 S+ 0 0 118 -3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.641 104.1 52.8 -74.6 -10.8 -15.8 -45.2 8.0 64 66 A W G <> S+ 0 0 2 -3,-2.4 4,-1.8 1,-0.1 -1,-0.3 0.391 85.1 91.2 -95.3 -3.4 -14.7 -43.6 11.2 65 67 A S H <> S+ 0 0 54 -3,-1.6 4,-2.2 -4,-0.4 5,-0.2 0.805 76.6 58.9 -65.8 -36.8 -13.2 -46.9 12.6 66 68 A P H > S+ 0 0 39 0, 0.0 4,-1.8 0, 0.0 -39,-0.3 0.933 110.6 42.7 -59.4 -42.6 -9.7 -46.5 11.3 67 69 A E H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.841 109.7 57.6 -75.7 -31.8 -9.2 -43.2 13.2 68 70 A L H X S+ 0 0 13 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.927 107.1 49.0 -55.4 -45.0 -10.9 -44.7 16.2 69 71 A A H X S+ 0 0 26 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.912 111.5 48.7 -63.7 -41.1 -8.2 -47.4 16.2 70 72 A N H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.941 110.9 51.0 -60.9 -47.4 -5.5 -44.8 15.9 71 73 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.893 107.7 52.6 -56.4 -44.6 -7.0 -42.8 18.7 72 74 A K H X S+ 0 0 107 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.883 109.3 49.0 -63.9 -37.7 -7.1 -45.9 20.9 73 75 A K H X S+ 0 0 45 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.922 113.6 45.7 -67.6 -43.0 -3.4 -46.6 20.3 74 76 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 3,-1.2 0.935 112.9 51.1 -62.8 -45.2 -2.4 -43.1 21.1 75 77 A S H ><5S+ 0 0 47 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.831 102.1 58.8 -63.0 -36.5 -4.6 -43.0 24.2 76 78 A A H 3<5S+ 0 0 82 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.693 106.0 51.8 -67.5 -19.6 -3.2 -46.2 25.6 77 79 A K T <<5S- 0 0 80 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.209 126.9-100.8 -96.0 5.7 0.2 -44.4 25.5 78 80 A G T < 5S+ 0 0 55 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.551 76.4 138.7 87.2 7.1 -1.1 -41.4 27.5 79 81 A A < - 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0 0 77 -2,-0.3 2,-0.7 6,-0.1 5,-0.2 -0.780 33.1-170.2 -92.1 112.4 -18.4 -17.7 -6.8 98 100 A K E > S-T 101 0C 80 3,-2.3 3,-1.3 -2,-0.8 5,-0.1 -0.902 74.2 -36.9-108.8 106.0 -15.1 -16.7 -5.2 99 101 A S T 3 S- 0 0 125 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.848 128.1 -37.2 39.1 58.3 -13.7 -13.8 -7.2 100 102 A G T 3 S+ 0 0 71 1,-0.2 2,-0.7 2,-0.0 -1,-0.3 0.467 114.4 114.3 83.0 1.7 -14.9 -15.2 -10.5 101 103 A D E X -T 98 0C 68 -3,-1.3 -3,-2.3 1,-0.1 3,-1.1 -0.895 41.2-175.0-109.1 108.2 -14.3 -18.9 -9.7 102 104 A S E 3 S+ 0 0 85 -2,-0.7 -1,-0.1 1,-0.2 -6,-0.1 0.460 73.1 75.2 -82.1 -1.0 -17.5 -20.8 -9.5 103 105 A S E 3 + 0 0 70 -5,-0.1 -1,-0.2 -8,-0.1 -6,-0.1 0.524 66.6 117.8 -87.1 -5.3 -15.9 -24.0 -8.3 104 106 A A E < -T 96 0C 3 -3,-1.1 -8,-1.7 -8,-0.7 2,-0.4 -0.292 52.8-148.1 -68.2 147.1 -15.3 -22.8 -4.7 105 107 A Q E +Tu 95 149C 57 43,-0.5 45,-2.7 40,-0.3 2,-0.3 -0.923 20.9 167.5-118.4 142.9 -17.1 -24.8 -2.0 106 108 A R E -Tu 94 150C 62 -12,-2.4 -12,-2.5 -2,-0.4 2,-0.4 -0.951 43.5 -90.7-141.7 164.4 -18.5 -23.6 1.3 107 109 A L E -T 93 0C 3 43,-0.5 -14,-0.2 -2,-0.3 5,-0.1 -0.650 51.3-109.7 -70.1 126.4 -20.7 -25.0 4.1 108 110 A R > - 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