==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-OCT-03 1UR1 . COMPND 2 MOLECULE: ENDOXYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLVIBRIO MIXTUS; . AUTHOR G.PELL,E.J.TAYLOR,T.M.GLOSTER,J.P.TURKENBURG,C.M.G.A.FONTES, . 346 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.3 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 . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 15 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 3 0 1 0 0 0 1 1 2 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 6 1 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 1 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 26 A G >> 0 0 27 0, 0.0 4,-2.4 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0-169.9 27.1 31.2 21.9 2 27 A L H 3> + 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.895 360.0 56.1 -58.9 -45.8 24.1 29.2 20.8 3 28 A K H 34 S+ 0 0 61 32,-1.5 -1,-0.2 31,-0.2 7,-0.1 0.851 111.6 44.1 -56.7 -34.7 24.5 29.8 17.1 4 29 A S H X4 S+ 0 0 71 -3,-0.6 3,-1.3 30,-0.4 4,-0.3 0.916 111.1 52.7 -80.3 -42.4 28.1 28.5 17.1 5 30 A A H 3< S+ 0 0 20 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.871 118.1 38.0 -55.7 -40.4 27.3 25.5 19.3 6 31 A Y T >X S+ 0 0 0 -4,-2.3 3,-2.3 -5,-0.2 4,-2.1 0.263 81.1 116.9 -97.8 14.3 24.5 24.5 16.9 7 32 A K T <4 S+ 0 0 153 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.829 77.4 46.8 -51.6 -43.7 26.3 25.4 13.7 8 33 A D T 34 S+ 0 0 142 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.482 119.1 42.9 -79.9 -1.4 26.4 21.9 12.4 9 34 A N T <4 S- 0 0 20 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.833 117.6 -45.5-108.6 -59.9 22.7 21.3 13.2 10 35 A F < - 0 0 10 -4,-2.1 -1,-0.3 -7,-0.1 286,-0.3 -0.976 61.6 -73.5-171.1 162.3 20.5 24.3 12.3 11 36 A L E -a 296 0A 46 284,-2.5 286,-2.5 -2,-0.3 2,-0.5 -0.348 37.2-143.1 -64.3 149.9 20.2 28.1 12.5 12 37 A I E +a 297 0A 0 284,-0.2 25,-2.4 286,-0.0 26,-1.1 -0.986 30.9 177.8-119.2 118.0 19.4 29.6 15.9 13 38 A G E -ab 298 38A 0 284,-2.4 286,-2.7 -2,-0.5 2,-0.3 -0.681 21.4-156.8-122.0 168.0 17.1 32.6 15.5 14 39 A A E -ab 299 39A 0 24,-1.6 26,-1.6 284,-0.3 2,-0.4 -0.995 22.7-123.1-144.1 142.9 15.1 35.2 17.4 15 40 A A E - b 0 40A 1 284,-2.3 2,-0.5 -2,-0.3 287,-0.1 -0.705 32.5-153.1 -76.9 132.7 12.1 37.4 16.7 16 41 A L E - b 0 41A 3 24,-2.7 26,-2.3 -2,-0.4 27,-0.4 -0.935 3.4-144.5-116.3 127.2 13.0 41.1 17.1 17 42 A N > - 0 0 36 -2,-0.5 4,-2.4 24,-0.2 5,-0.2 -0.210 37.6 -96.6 -74.7 174.0 10.6 43.8 18.1 18 43 A A H > S+ 0 0 42 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.819 121.5 55.6 -67.3 -30.5 11.0 47.3 16.5 19 44 A T H 4>S+ 0 0 104 2,-0.2 5,-0.5 1,-0.2 3,-0.5 0.947 111.8 42.6 -68.7 -43.7 12.9 48.7 19.5 20 45 A I H >45S+ 0 0 8 1,-0.2 3,-2.0 2,-0.2 5,-0.3 0.947 111.1 54.6 -64.3 -48.0 15.6 46.0 19.3 21 46 A A H 3<5S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.702 90.8 76.6 -65.0 -15.5 15.8 46.2 15.5 22 47 A S T 3<5S- 0 0 64 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.692 99.0-131.6 -63.0 -21.9 16.5 49.9 15.7 23 48 A G T < 5S+ 0 0 25 -3,-2.0 -2,-0.1 -4,-0.3 -3,-0.1 0.442 75.0 117.0 83.1 2.5 20.1 49.1 16.8 24 49 A A < + 0 0 87 -5,-0.5 2,-1.0 1,-0.1 -4,-0.1 0.650 53.4 79.9 -78.7 -16.5 19.9 51.6 19.7 25 50 A D > - 0 0 51 -5,-0.3 4,-2.4 -6,-0.3 5,-0.2 -0.776 57.8-174.4 -98.6 98.8 20.4 48.9 22.4 26 51 A E H > S+ 0 0 130 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.848 82.3 55.5 -60.9 -37.4 24.1 48.1 22.6 27 52 A R H > S+ 0 0 188 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 112.0 42.7 -67.4 -42.0 23.7 45.3 25.0 28 53 A L H > S+ 0 0 8 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.847 109.3 57.7 -70.3 -33.0 21.2 43.5 22.8 29 54 A N H X S+ 0 0 19 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.946 111.1 44.3 -59.2 -42.4 23.3 44.2 19.7 30 55 A T H X S+ 0 0 79 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.925 115.4 46.9 -65.2 -50.6 26.1 42.4 21.4 31 56 A L H X S+ 0 0 18 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.921 113.0 48.4 -58.3 -49.9 24.0 39.6 22.7 32 57 A I H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.915 109.6 51.7 -62.2 -43.9 22.3 39.0 19.3 33 58 A A H < S+ 0 0 37 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.843 115.7 42.8 -62.1 -33.0 25.5 39.0 17.4 34 59 A K H < S+ 0 0 115 -4,-1.6 -30,-0.4 -5,-0.2 -31,-0.2 0.872 125.7 29.4 -74.6 -41.2 26.9 36.4 19.8 35 60 A E H < S+ 0 0 5 -4,-2.5 -32,-1.5 -34,-0.2 2,-0.3 0.794 110.5 50.2 -98.6 -34.4 23.9 34.1 20.1 36 61 A F < - 0 0 3 -4,-2.5 -23,-0.2 -5,-0.2 -1,-0.1 -0.882 35.4-179.7-121.9 140.9 21.7 34.2 16.9 37 62 A N S S+ 0 0 37 -25,-2.4 38,-2.4 -2,-0.3 2,-0.3 0.216 77.5 49.3-117.2 10.3 22.4 33.8 13.2 38 63 A S E -bc 13 75A 0 -26,-1.1 -24,-1.6 36,-0.2 2,-0.3 -0.988 62.1-171.5-143.1 147.3 18.7 34.3 12.1 39 64 A I E -bc 14 76A 0 36,-2.5 38,-2.3 -2,-0.3 -24,-0.2 -0.986 7.5-164.4-138.2 156.5 16.1 36.9 12.9 40 65 A T E -b 15 0A 2 -26,-1.6 -24,-2.7 -2,-0.3 2,-0.4 -0.986 31.6-113.7-134.8 139.2 12.3 37.4 12.2 41 66 A P E -b 16 0A 0 0, 0.0 -24,-0.2 0, 0.0 4,-0.1 -0.620 21.3-149.5 -77.8 125.5 10.4 40.6 12.6 42 67 A E S S- 0 0 19 -26,-2.3 -25,-0.2 -2,-0.4 -27,-0.1 0.862 78.3 -23.2 -65.9 -37.0 8.0 40.2 15.5 43 68 A N S > S+ 0 0 56 -27,-0.4 3,-1.9 -3,-0.0 6,-0.2 0.545 108.6 92.1-140.8 -24.2 5.4 42.6 14.1 44 69 A C T 3 S+ 0 0 15 1,-0.3 18,-0.3 5,-0.1 17,-0.1 0.655 89.5 48.6 -73.3 -14.6 6.6 45.2 11.6 45 70 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.1 2,-0.2 0.377 81.8 116.2-101.7 5.5 6.0 43.3 8.4 46 71 A K S X> S- 0 0 12 -3,-1.9 4,-3.0 1,-0.1 3,-1.8 -0.511 76.2-118.9 -71.5 140.8 2.4 42.3 9.3 47 72 A W H 3> S+ 0 0 14 33,-0.5 4,-2.3 1,-0.3 40,-0.2 0.883 111.0 45.4 -49.9 -51.3 -0.1 43.8 6.8 48 73 A G H 34 S+ 0 0 20 38,-2.5 -1,-0.3 37,-0.2 39,-0.2 0.542 117.5 44.8 -75.7 -7.3 -2.0 45.9 9.4 49 74 A V H <4 S+ 0 0 73 -3,-1.8 -1,-0.2 37,-0.4 -2,-0.2 0.788 116.8 42.6 -99.4 -44.7 1.2 47.1 11.1 50 75 A L H < S+ 0 0 4 -4,-3.0 8,-2.2 -7,-0.2 2,-0.3 0.799 121.7 39.2 -67.7 -33.0 3.1 48.0 7.9 51 76 A R B < S-I 57 0B 17 -4,-2.3 6,-0.2 -5,-0.3 37,-0.1 -0.874 77.4-129.4-123.5 151.1 0.0 49.6 6.2 52 77 A D > - 0 0 62 4,-2.2 3,-2.1 -2,-0.3 36,-0.1 -0.283 43.6 -88.6 -89.2 179.5 -2.8 51.8 7.4 53 78 A A T 3 S+ 0 0 45 1,-0.3 -1,-0.1 2,-0.1 -5,-0.0 0.652 128.3 56.5 -69.2 -15.2 -6.5 51.1 6.8 54 79 A Q T 3 S- 0 0 159 2,-0.1 -1,-0.3 37,-0.0 0, 0.0 0.323 121.3-107.0 -92.5 5.6 -6.3 53.1 3.6 55 80 A G < + 0 0 19 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.497 69.0 149.7 83.9 7.5 -3.5 50.8 2.3 56 81 A Q - 0 0 104 1,-0.1 -4,-2.2 -5,-0.0 2,-0.3 -0.500 38.1-134.6 -79.7 144.5 -0.8 53.4 2.8 57 82 A W B -I 51 0B 60 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.723 19.8-173.2-106.5 143.0 2.7 52.1 3.5 58 83 A N - 0 0 113 -8,-2.2 3,-0.3 -2,-0.3 4,-0.3 -0.906 3.2-175.9-135.2 108.2 5.2 53.2 6.1 59 84 A W > + 0 0 41 -2,-0.4 4,-3.1 1,-0.2 5,-0.4 0.382 49.0 108.1 -86.4 1.7 8.5 51.4 5.8 60 85 A K H > S+ 0 0 145 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 87.4 31.7 -52.9 -53.2 10.4 52.8 8.8 61 86 A D H > S+ 0 0 62 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.909 119.3 51.6 -77.4 -36.9 10.4 49.8 11.0 62 87 A A H > S+ 0 0 0 -4,-0.3 4,-2.1 -18,-0.3 -2,-0.2 0.930 112.0 47.6 -65.5 -43.8 10.5 47.1 8.3 63 88 A D H X S+ 0 0 60 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.881 109.6 53.3 -61.2 -38.6 13.5 48.8 6.7 64 89 A A H X S+ 0 0 28 -4,-1.6 4,-2.3 -5,-0.4 -2,-0.2 0.906 107.8 51.7 -64.6 -38.9 15.2 49.1 10.1 65 90 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.947 111.5 45.4 -61.3 -47.1 14.8 45.4 10.6 66 91 A V H X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.878 112.1 52.3 -68.6 -35.6 16.3 44.5 7.2 67 92 A A H X S+ 0 0 60 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.885 108.3 51.8 -63.9 -38.4 19.2 47.0 7.8 68 93 A F H X S+ 0 0 8 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.939 111.3 45.8 -65.2 -47.8 19.9 45.3 11.2 69 94 A G H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 4,-0.4 0.886 114.7 48.4 -65.2 -36.0 20.1 41.9 9.6 70 95 A T H ><5S+ 0 0 89 -4,-2.1 3,-0.9 3,-0.2 -2,-0.2 0.924 109.8 52.6 -66.0 -41.9 22.2 43.2 6.8 71 96 A K H 3<5S+ 0 0 156 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.899 119.3 34.2 -60.3 -42.1 24.5 45.0 9.3 72 97 A H T 3<5S- 0 0 54 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.297 108.1-119.8 -98.4 7.7 25.0 41.8 11.3 73 98 A N T < 5 + 0 0 150 -3,-0.9 2,-0.4 -4,-0.4 -3,-0.2 0.916 56.1 162.9 49.1 53.2 24.9 39.3 8.4 74 99 A L < - 0 0 14 -5,-2.7 -36,-0.2 -6,-0.1 -1,-0.2 -0.782 46.1-111.2-101.8 140.7 21.9 37.5 9.8 75 100 A H E -c 38 0A 48 -38,-2.4 -36,-2.5 -2,-0.4 2,-0.4 -0.517 41.0-149.9 -61.3 133.0 19.6 35.2 8.0 76 101 A M E -c 39 0A 7 47,-0.3 50,-1.5 -38,-0.2 49,-1.3 -0.961 14.0-161.6-124.5 132.7 16.2 36.9 7.8 77 102 A V E -d 126 0A 0 -38,-2.3 2,-0.3 -2,-0.4 50,-0.2 -0.926 18.3-136.2-110.8 119.4 12.7 35.5 7.7 78 103 A G E -d 127 0A 0 48,-2.9 50,-2.8 -2,-0.5 2,-0.4 -0.576 22.6-137.0 -71.6 138.6 9.9 37.7 6.4 79 104 A H E -d 128 0A 6 -2,-0.3 -34,-0.5 1,-0.2 50,-0.1 -0.944 57.6 -18.5-144.2 117.0 6.8 37.4 8.6 80 105 A T E + 0 0 3 48,-0.6 -33,-0.5 -2,-0.4 -1,-0.2 0.698 38.0 172.7-143.3 148.1 4.1 37.2 7.2 81 106 A L E S+ 0 0 2 47,-2.1 2,-0.5 1,-0.2 49,-0.2 0.952 86.2 23.2 -73.5 -52.0 2.5 37.8 3.8 82 107 A V E S+d 130 0A 0 47,-2.2 49,-1.9 46,-0.3 2,-0.3 -0.959 76.0 135.3-127.4 113.0 -1.0 36.3 4.2 83 108 A W - 0 0 27 -2,-0.5 49,-0.1 47,-0.2 -36,-0.1 -0.983 52.0-129.6-154.2 152.2 -2.6 35.9 7.6 84 109 A H S S+ 0 0 60 47,-0.4 3,-0.3 -2,-0.3 2,-0.3 0.564 85.5 73.7 -83.3 -9.3 -6.0 36.5 9.2 85 110 A S S S+ 0 0 47 1,-0.2 -37,-0.2 3,-0.0 -38,-0.2 -0.713 93.7 18.6-108.6 155.7 -4.7 38.4 12.2 86 111 A Q S S+ 0 0 76 -2,-0.3 -38,-2.5 1,-0.2 -37,-0.4 0.926 94.9 117.4 51.5 50.3 -3.2 42.0 12.5 87 112 A I S S- 0 0 23 -3,-0.3 -1,-0.2 -40,-0.2 2,-0.1 -0.986 70.8-104.3-146.4 135.5 -4.8 43.0 9.2 88 113 A H > - 0 0 46 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.319 16.4-133.6 -64.4 139.9 -7.5 45.7 8.7 89 114 A D G >> S+ 0 0 92 1,-0.3 4,-2.0 2,-0.2 3,-1.4 0.776 102.4 76.1 -60.1 -26.4 -11.0 44.6 8.1 90 115 A E G 34 S+ 0 0 102 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.692 81.7 67.0 -57.9 -21.5 -10.9 47.2 5.3 91 116 A V G <4 S+ 0 0 10 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.906 117.9 21.2 -65.6 -34.8 -8.9 44.8 3.2 92 117 A F T <4 S+ 0 0 2 -3,-1.4 8,-2.2 -4,-0.4 2,-0.3 0.639 119.1 54.8-107.1 -22.7 -11.9 42.4 3.0 93 118 A K B < -J 99 0C 64 -4,-2.0 6,-0.2 6,-0.2 2,-0.1 -0.891 66.7-126.4-128.0 144.5 -15.0 44.5 3.7 94 119 A N > - 0 0 80 4,-3.1 3,-2.4 -2,-0.3 -2,-0.1 -0.430 48.6 -98.3 -70.3 163.0 -16.8 47.5 2.6 95 120 A A T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -2,-0.1 -5,-0.0 0.771 125.2 61.2 -58.3 -25.1 -17.6 50.0 5.3 96 121 A D T 3 S- 0 0 134 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.441 121.8-105.8 -81.1 -2.4 -21.2 48.5 5.5 97 122 A G S < S+ 0 0 40 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.0 0.183 77.4 132.7 100.9 -16.2 -19.7 45.1 6.4 98 123 A S - 0 0 51 -5,-0.1 -4,-3.1 1,-0.1 -1,-0.3 -0.316 58.7-111.1 -71.6 148.8 -20.2 43.4 3.1 99 124 A Y B -J 93 0C 84 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.560 24.4-125.0 -79.0 144.5 -17.4 41.4 1.6 100 125 A I - 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