==== 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 23-OCT-03 1UQY . 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, . 347 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 14.1 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 . 44 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 32.0 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 22 0, 0.0 4,-2.3 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0-178.4 26.9 31.3 21.6 2 27 A L H 3> + 0 0 1 1,-0.2 4,-2.4 2,-0.2 33,-0.1 0.870 360.0 57.9 -61.4 -43.8 24.0 29.1 20.5 3 28 A K H 34 S+ 0 0 60 32,-1.4 -1,-0.2 31,-0.3 7,-0.1 0.856 112.3 43.2 -58.8 -35.0 24.3 29.8 16.8 4 29 A S H X4 S+ 0 0 64 -3,-0.5 3,-1.6 30,-0.4 4,-0.3 0.919 110.7 53.0 -76.2 -43.5 27.9 28.4 16.9 5 30 A A H 3< S+ 0 0 21 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.860 118.4 38.5 -55.2 -39.6 27.1 25.5 19.1 6 31 A Y T >X S+ 0 0 0 -4,-2.4 3,-2.1 -5,-0.2 4,-1.9 0.212 80.5 117.4 -98.0 14.6 24.4 24.5 16.7 7 32 A K T <4 S+ 0 0 170 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.856 78.0 46.2 -54.8 -42.1 26.2 25.4 13.5 8 33 A D T 34 S+ 0 0 157 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.504 118.9 44.6 -77.0 -5.8 26.2 21.8 12.1 9 34 A N T <4 S- 0 0 21 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.853 117.1 -49.9-105.7 -63.4 22.6 21.3 13.0 10 35 A F < - 0 0 10 -4,-1.9 -1,-0.3 -7,-0.1 289,-0.3 -0.983 61.0 -70.0-169.4 166.0 20.4 24.3 12.0 11 36 A L E -a 299 0A 46 287,-2.3 289,-2.3 -2,-0.3 2,-0.5 -0.356 38.0-142.6 -62.2 150.3 20.1 28.1 12.2 12 37 A I E -a 300 0A 0 287,-0.2 25,-2.7 -2,-0.1 26,-1.2 -0.985 30.1-179.8-122.2 118.6 19.3 29.6 15.6 13 38 A G E -ab 301 38A 0 287,-2.4 289,-2.5 -2,-0.5 2,-0.3 -0.682 20.8-158.5-121.7 163.9 16.9 32.6 15.3 14 39 A A E -ab 302 39A 0 24,-1.5 26,-1.7 287,-0.2 2,-0.5 -0.995 22.8-124.4-142.2 141.7 15.1 35.3 17.3 15 40 A A E - b 0 40A 1 287,-2.2 2,-0.5 -2,-0.3 290,-0.2 -0.741 31.8-154.5 -75.7 129.6 12.0 37.4 16.6 16 41 A L E - b 0 41A 3 24,-2.8 26,-2.2 -2,-0.5 27,-0.4 -0.916 3.2-144.5-114.0 127.2 12.9 41.1 17.0 17 42 A N > - 0 0 39 -2,-0.5 4,-2.5 24,-0.2 5,-0.2 -0.243 36.3 -97.4 -76.6 174.2 10.5 43.8 17.9 18 43 A A H > S+ 0 0 42 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.856 121.3 54.2 -67.0 -35.3 10.8 47.3 16.4 19 44 A T H 4>S+ 0 0 116 2,-0.2 5,-0.5 1,-0.2 3,-0.4 0.933 112.7 42.9 -64.2 -44.0 12.7 48.8 19.4 20 45 A I H >45S+ 0 0 13 1,-0.2 3,-1.9 2,-0.2 5,-0.3 0.938 110.9 54.8 -67.4 -45.1 15.4 46.1 19.3 21 46 A A H 3<5S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.673 88.9 77.6 -68.1 -13.7 15.7 46.2 15.5 22 47 A S T 3<5S- 0 0 64 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.737 97.8-135.2 -62.4 -24.3 16.4 49.9 15.7 23 48 A G T < 5 + 0 0 22 -3,-1.9 -2,-0.1 -4,-0.3 -3,-0.1 0.529 69.4 122.9 80.3 9.4 19.9 49.0 16.8 24 49 A A < + 0 0 89 -5,-0.5 2,-0.9 1,-0.1 -4,-0.1 0.760 54.5 76.2 -71.9 -26.3 20.0 51.6 19.6 25 50 A D > - 0 0 65 -5,-0.3 4,-2.3 -6,-0.3 5,-0.2 -0.758 59.9-172.7 -98.6 100.3 20.6 49.1 22.3 26 51 A E H > S+ 0 0 136 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.811 83.6 57.6 -66.0 -30.6 24.3 48.1 22.1 27 52 A R H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.945 110.6 42.6 -62.0 -50.2 24.0 45.4 24.7 28 53 A L H > S+ 0 0 10 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.863 110.4 56.7 -65.2 -37.9 21.3 43.6 22.7 29 54 A N H X S+ 0 0 17 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.937 110.5 45.1 -58.9 -43.3 23.2 44.1 19.4 30 55 A T H X S+ 0 0 84 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.939 114.5 47.7 -64.3 -49.1 26.2 42.4 21.0 31 56 A L H X S+ 0 0 18 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.919 112.5 48.7 -56.1 -49.9 24.0 39.6 22.4 32 57 A I H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.925 110.1 50.4 -62.9 -43.1 22.1 39.0 19.2 33 58 A A H < S+ 0 0 42 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.840 115.1 45.2 -64.0 -33.7 25.3 38.8 17.0 34 59 A K H < S+ 0 0 116 -4,-1.7 -30,-0.4 -5,-0.2 -31,-0.3 0.885 124.8 28.6 -70.0 -43.2 26.8 36.3 19.4 35 60 A E H < S+ 0 0 3 -4,-2.5 -32,-1.4 -34,-0.2 2,-0.4 0.796 112.3 49.6 -97.7 -34.8 23.7 34.1 19.8 36 61 A F < - 0 0 4 -4,-2.7 -23,-0.2 -5,-0.3 -1,-0.1 -0.880 37.0-179.1-118.5 145.1 21.6 34.2 16.7 37 62 A N S S+ 0 0 36 -25,-2.7 38,-2.4 -2,-0.4 2,-0.3 0.232 77.7 47.9-121.3 10.4 22.2 33.8 13.0 38 63 A S E -bc 13 75A 0 -26,-1.2 -24,-1.5 36,-0.2 2,-0.3 -0.981 62.9-171.2-143.2 151.1 18.6 34.3 11.9 39 64 A I E -bc 14 76A 0 36,-2.3 38,-2.4 -2,-0.3 -24,-0.2 -0.982 7.4-163.1-141.3 153.1 16.0 36.9 12.7 40 65 A T E -b 15 0A 1 -26,-1.7 -24,-2.8 -2,-0.3 2,-0.5 -0.986 30.8-113.3-131.4 139.7 12.2 37.4 12.1 41 66 A P E -b 16 0A 0 0, 0.0 -24,-0.2 0, 0.0 4,-0.2 -0.643 21.3-149.5 -75.6 125.2 10.3 40.7 12.5 42 67 A E S S- 0 0 17 -26,-2.2 -25,-0.2 -2,-0.5 -27,-0.1 0.864 78.5 -23.9 -65.2 -37.5 7.9 40.3 15.3 43 68 A N S > S+ 0 0 54 -27,-0.4 3,-2.1 -3,-0.0 6,-0.2 0.548 108.6 92.8-143.2 -26.4 5.2 42.7 13.9 44 69 A C T 3 S+ 0 0 14 1,-0.3 18,-0.3 5,-0.1 17,-0.1 0.647 89.2 48.5 -71.4 -14.0 6.5 45.3 11.5 45 70 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 2,-0.2 0.362 81.8 115.9-101.3 7.5 5.9 43.4 8.2 46 71 A K S X> S- 0 0 12 -3,-2.1 4,-3.0 1,-0.1 3,-1.8 -0.532 76.8-118.5 -73.4 140.7 2.3 42.4 9.1 47 72 A W H 3> S+ 0 0 12 33,-0.5 4,-2.3 1,-0.3 40,-0.2 0.881 111.3 46.1 -47.2 -52.3 -0.2 43.9 6.7 48 73 A G H 34 S+ 0 0 20 38,-2.5 -1,-0.3 37,-0.2 39,-0.2 0.529 116.9 44.4 -72.1 -10.6 -2.1 45.9 9.4 49 74 A V H <4 S+ 0 0 71 -3,-1.8 -2,-0.2 37,-0.3 -1,-0.2 0.769 117.1 42.8 -99.1 -44.0 1.1 47.2 11.0 50 75 A L H < S+ 0 0 4 -4,-3.0 8,-2.1 -7,-0.2 2,-0.3 0.811 121.9 38.0 -69.0 -34.0 3.0 48.1 7.8 51 76 A R B < S-I 57 0B 15 -4,-2.3 6,-0.2 -5,-0.4 37,-0.1 -0.895 76.7-129.3-123.0 151.6 -0.1 49.7 6.2 52 77 A D > - 0 0 60 4,-2.1 3,-1.8 -2,-0.3 36,-0.1 -0.229 42.6 -89.0 -88.9 179.3 -3.0 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 0.660 128.5 55.1 -67.1 -18.1 -6.7 51.2 6.8 54 79 A Q T 3 S- 0 0 158 2,-0.1 -1,-0.3 37,-0.0 -3,-0.0 0.380 121.5-107.4 -92.7 3.5 -6.5 53.2 3.6 55 80 A G < + 0 0 18 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.524 68.0 150.7 87.4 4.4 -3.7 51.0 2.3 56 81 A Q - 0 0 105 1,-0.1 -4,-2.1 -5,-0.0 2,-0.3 -0.485 37.7-135.0 -75.7 140.4 -1.0 53.6 2.8 57 82 A W B -I 51 0B 66 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.736 19.7-173.4-101.4 142.6 2.5 52.2 3.5 58 83 A N - 0 0 114 -8,-2.1 3,-0.3 -2,-0.3 4,-0.3 -0.914 2.0-176.7-135.8 110.2 5.1 53.3 6.1 59 84 A W > + 0 0 40 -2,-0.4 4,-3.0 1,-0.2 5,-0.3 0.341 48.6 108.7 -89.6 1.9 8.4 51.5 5.7 60 85 A K H > S+ 0 0 147 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 87.7 31.5 -52.2 -52.8 10.3 52.9 8.7 61 86 A D H > S+ 0 0 66 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.907 118.7 51.8 -76.9 -40.4 10.3 49.8 10.9 62 87 A A H > S+ 0 0 0 -4,-0.3 4,-2.1 -18,-0.3 -2,-0.2 0.911 112.3 47.7 -64.8 -41.5 10.5 47.2 8.2 63 88 A D H X S+ 0 0 59 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.890 109.4 53.5 -64.2 -40.6 13.4 48.9 6.6 64 89 A A H X S+ 0 0 28 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.922 108.2 51.2 -58.0 -43.5 15.1 49.2 10.0 65 90 A F H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.939 112.0 45.1 -59.3 -47.6 14.7 45.4 10.5 66 91 A V H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.920 111.7 52.9 -68.3 -37.5 16.2 44.7 7.1 67 92 A A H X S+ 0 0 61 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.901 109.0 50.3 -60.7 -39.2 19.1 47.1 7.8 68 93 A F H X S+ 0 0 8 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.945 111.9 46.6 -65.1 -49.7 19.8 45.4 11.1 69 94 A G H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.4 0.896 114.3 48.3 -59.4 -37.3 19.9 41.9 9.5 70 95 A T H ><5S+ 0 0 88 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.927 109.4 52.5 -68.4 -44.8 22.1 43.3 6.7 71 96 A K H 3<5S+ 0 0 147 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.881 119.3 34.8 -58.9 -41.5 24.5 45.0 9.1 72 97 A H T 3<5S- 0 0 49 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.317 108.0-121.0 -98.4 7.7 25.0 41.8 11.1 73 98 A N T < 5 + 0 0 150 -3,-1.0 2,-0.4 -4,-0.4 -3,-0.2 0.919 55.0 162.6 47.1 54.5 24.8 39.4 8.2 74 99 A L < - 0 0 14 -5,-2.6 -36,-0.2 -6,-0.1 2,-0.2 -0.768 46.5-110.3-101.1 141.3 21.8 37.5 9.6 75 100 A H E -c 38 0A 50 -38,-2.4 -36,-2.3 -2,-0.4 2,-0.4 -0.544 41.1-148.9 -62.2 133.5 19.5 35.2 7.8 76 101 A M E -c 39 0A 7 47,-0.3 50,-1.6 -2,-0.2 49,-1.0 -0.948 13.7-161.2-121.6 132.1 16.2 37.0 7.6 77 102 A V E -d 126 0A 0 -38,-2.4 2,-0.2 -2,-0.4 50,-0.2 -0.923 17.6-136.6-109.6 119.9 12.6 35.6 7.5 78 103 A G E -d 127 0A 0 48,-3.1 50,-2.8 -2,-0.5 2,-0.3 -0.589 22.3-138.6 -71.7 136.9 9.7 37.8 6.2 79 104 A H E -d 128 0A 6 -2,-0.2 -34,-0.5 1,-0.2 50,-0.1 -0.940 57.4 -18.1-144.1 115.2 6.6 37.4 8.5 80 105 A T E + 0 0 3 48,-0.6 -33,-0.5 -2,-0.3 -1,-0.2 0.670 38.0 172.7-148.6 146.7 4.0 37.3 7.0 81 106 A L E S+ 0 0 1 47,-2.3 2,-0.5 1,-0.2 49,-0.2 0.956 86.4 24.1 -73.0 -49.6 2.4 38.0 3.7 82 107 A V E S+d 130 0A 0 47,-2.3 49,-1.8 46,-0.2 2,-0.3 -0.952 75.2 136.4-129.5 111.3 -1.1 36.5 4.0 83 108 A W - 0 0 27 -2,-0.5 49,-0.1 47,-0.2 -36,-0.1 -0.979 51.5-131.2-151.5 150.8 -2.7 36.1 7.4 84 109 A H S S+ 0 0 62 47,-0.4 3,-0.3 -2,-0.3 2,-0.3 0.548 85.8 74.5 -83.3 -9.6 -6.2 36.7 9.0 85 110 A S S S+ 0 0 47 1,-0.2 -37,-0.2 3,-0.0 -38,-0.2 -0.742 94.0 17.8-107.6 153.6 -4.8 38.5 12.1 86 111 A Q S S+ 0 0 77 -2,-0.3 -38,-2.5 1,-0.2 2,-0.3 0.933 95.7 118.7 51.6 50.4 -3.4 42.1 12.4 87 112 A I S S- 0 0 22 -3,-0.3 -1,-0.2 -40,-0.2 2,-0.1 -0.987 70.2-105.5-146.1 134.4 -5.0 43.1 9.1 88 113 A H > - 0 0 48 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.366 15.6-134.2 -62.9 137.0 -7.6 45.8 8.6 89 114 A D G >> S+ 0 0 89 1,-0.3 4,-1.9 2,-0.2 3,-1.4 0.791 102.5 76.1 -57.8 -27.4 -11.2 44.7 8.0 90 115 A E G 34 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.692 82.6 65.9 -55.3 -21.9 -11.1 47.3 5.2 91 116 A V G <4 S+ 0 0 10 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.905 117.8 22.3 -65.5 -36.2 -9.0 44.9 3.1 92 117 A F T <4 S+ 0 0 3 -3,-1.4 8,-2.3 -4,-0.4 2,-0.3 0.630 118.3 54.0-104.3 -22.7 -12.0 42.5 2.9 93 118 A K B < -J 99 0C 61 -4,-1.9 6,-0.2 6,-0.3 2,-0.1 -0.890 67.0-124.4-128.7 142.3 -15.1 44.6 3.5 94 119 A N > - 0 0 82 4,-3.2 3,-2.3 -2,-0.3 -2,-0.1 -0.422 48.4-100.7 -65.9 163.2 -17.0 47.6 2.4 95 120 A A T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -2,-0.1 -5,-0.0 0.766 124.4 61.6 -63.6 -21.3 -17.8 50.0 5.2 96 121 A D T 3 S- 0 0 131 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.453 122.2-105.6 -82.5 -1.2 -21.3 48.6 5.4 97 122 A G S < S+ 0 0 40 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.183 77.4 131.6 98.3 -17.0 -19.9 45.2 6.3 98 123 A S - 0 0 50 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.366 59.7-108.5 -72.4 147.0 -20.4 43.4 3.0 99 124 A Y B -J 93 0C 84 -6,-0.2 -6,-0.3 -3,-0.1 -1,-0.1 -0.500 25.5-125.8 -73.7 145.7 -17.5 41.5 1.4 100 125 A I - 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