==== 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 1UR2 . 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, . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 14.0 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 1.1 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 . 46 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 2 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 25 A T 0 0 146 0, 0.0 35,-0.1 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0-161.1 30.7 30.8 21.8 2 26 A G >> - 0 0 0 33,-0.5 4,-2.3 32,-0.1 3,-0.5 -0.054 360.0 -88.0 -81.9-178.6 26.9 31.3 21.4 3 27 A L H 3> S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 33,-0.1 0.886 123.0 57.3 -56.1 -45.3 24.0 29.1 20.5 4 28 A K H 34 S+ 0 0 66 32,-1.4 -1,-0.2 31,-0.2 7,-0.1 0.854 111.2 43.8 -61.6 -31.3 24.3 29.8 16.8 5 29 A S H X4 S+ 0 0 41 -3,-0.5 3,-1.4 30,-0.4 4,-0.3 0.909 110.8 52.9 -76.8 -45.0 27.9 28.5 16.9 6 30 A A H 3< S+ 0 0 30 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.875 118.2 38.0 -56.0 -37.7 27.2 25.5 19.1 7 31 A Y T >X S+ 0 0 0 -4,-2.3 3,-2.2 -5,-0.2 4,-2.1 0.227 80.6 118.1-101.7 14.2 24.4 24.4 16.7 8 32 A K T <4 S+ 0 0 166 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.835 77.1 46.7 -53.3 -42.4 26.1 25.4 13.5 9 33 A D T 34 S+ 0 0 153 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.502 118.8 43.2 -81.3 -2.5 26.2 21.8 12.0 10 34 A N T <4 S- 0 0 23 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.832 117.9 -46.3-106.0 -59.8 22.6 21.3 12.9 11 35 A F < - 0 0 9 -4,-2.1 -1,-0.3 -7,-0.1 289,-0.3 -0.986 61.2 -72.2-170.1 163.3 20.4 24.3 12.1 12 36 A L E -a 300 0A 46 287,-2.3 289,-2.3 -2,-0.3 2,-0.5 -0.372 37.5-143.4 -61.6 149.3 20.1 28.1 12.2 13 37 A I E +a 301 0A 0 287,-0.2 25,-2.6 -2,-0.0 26,-1.1 -0.985 30.9 177.9-118.6 119.6 19.3 29.6 15.7 14 38 A G E -ab 302 39A 0 287,-2.3 289,-2.4 -2,-0.5 2,-0.3 -0.669 21.3-157.4-122.6 165.2 16.9 32.5 15.3 15 39 A A E -ab 303 40A 0 24,-1.5 26,-1.5 287,-0.2 2,-0.4 -0.986 22.8-122.7-142.4 143.8 15.0 35.1 17.3 16 40 A A E - b 0 41A 1 287,-2.2 2,-0.5 -2,-0.3 290,-0.2 -0.691 31.5-156.2 -75.9 128.8 11.9 37.3 16.6 17 41 A L E - b 0 42A 2 24,-2.5 26,-2.1 -2,-0.4 27,-0.4 -0.954 3.0-145.0-114.0 125.2 12.9 41.0 17.0 18 42 A N > - 0 0 37 -2,-0.5 4,-2.5 24,-0.2 5,-0.2 -0.196 37.1 -95.3 -74.7 175.5 10.4 43.7 17.9 19 43 A A H > S+ 0 0 41 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.835 122.6 54.9 -66.8 -34.0 10.7 47.2 16.5 20 44 A T H >4 S+ 0 0 114 2,-0.2 3,-0.6 1,-0.2 5,-0.5 0.948 113.1 41.8 -63.1 -47.3 12.5 48.6 19.5 21 45 A I H >4 S+ 0 0 10 1,-0.2 3,-1.9 2,-0.2 5,-0.3 0.933 111.0 55.0 -66.1 -46.2 15.2 45.9 19.3 22 46 A A H 3< S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.634 88.6 78.4 -69.5 -10.3 15.6 46.1 15.5 23 47 A S T << S- 0 0 67 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.746 98.0-133.2 -64.4 -22.6 16.2 49.8 15.7 24 48 A G S < S+ 0 0 25 -3,-1.9 -2,-0.1 -4,-0.3 -3,-0.1 0.517 72.8 120.2 80.0 6.8 19.8 49.0 16.8 25 49 A A + 0 0 89 -5,-0.5 2,-1.0 1,-0.1 -4,-0.1 0.716 54.3 78.7 -75.3 -19.9 19.7 51.5 19.6 26 50 A D > - 0 0 63 -5,-0.3 4,-2.7 -6,-0.3 5,-0.2 -0.754 58.2-175.0-100.0 95.2 20.3 48.8 22.3 27 51 A E H > S+ 0 0 130 -2,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.853 82.6 55.7 -59.1 -37.4 24.0 48.0 22.3 28 52 A R H > S+ 0 0 191 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.933 112.5 41.9 -63.5 -45.5 23.7 45.2 24.9 29 53 A L H > S+ 0 0 7 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.876 110.6 56.6 -68.3 -39.2 21.1 43.5 22.7 30 54 A N H X S+ 0 0 24 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.942 111.2 45.0 -55.4 -44.1 23.1 44.1 19.5 31 55 A T H X S+ 0 0 82 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.943 115.7 45.8 -66.8 -47.2 26.0 42.4 21.2 32 56 A L H X S+ 0 0 19 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.933 113.0 49.2 -60.4 -48.9 23.9 39.5 22.5 33 57 A I H X S+ 0 0 0 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.927 110.6 49.1 -61.8 -46.4 22.0 38.9 19.2 34 58 A A H < S+ 0 0 41 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.853 115.6 45.9 -61.6 -35.0 25.2 38.9 17.1 35 59 A K H < S+ 0 0 111 -4,-1.7 -33,-0.5 -5,-0.2 -30,-0.4 0.893 125.1 27.5 -68.9 -43.5 26.7 36.4 19.5 36 60 A E H < S+ 0 0 3 -4,-2.6 -32,-1.4 -34,-0.2 2,-0.4 0.772 112.3 50.8 -97.6 -32.6 23.8 34.1 19.8 37 61 A F < - 0 0 4 -4,-2.8 -23,-0.2 -5,-0.3 -1,-0.1 -0.896 36.3-179.6-120.8 142.6 21.6 34.1 16.7 38 62 A N S S+ 0 0 34 -25,-2.6 38,-2.4 -2,-0.4 2,-0.3 0.205 77.3 50.3-120.0 11.4 22.2 33.8 13.0 39 63 A S E -bc 14 76A 0 -26,-1.1 -24,-1.5 36,-0.2 2,-0.3 -0.986 62.2-172.1-142.1 147.8 18.5 34.2 11.9 40 64 A I E -bc 15 77A 0 36,-2.3 38,-2.3 -2,-0.3 -24,-0.2 -0.973 7.6-163.9-139.5 155.9 15.9 36.8 12.7 41 65 A T E -b 16 0A 2 -26,-1.5 -24,-2.5 -2,-0.3 2,-0.4 -0.990 31.5-112.9-135.0 136.3 12.2 37.3 12.1 42 66 A P E -b 17 0A 0 0, 0.0 -24,-0.2 0, 0.0 4,-0.2 -0.622 21.6-149.2 -74.7 127.4 10.3 40.6 12.5 43 67 A E S S- 0 0 16 -26,-2.1 -25,-0.2 -2,-0.4 -27,-0.1 0.869 78.3 -24.7 -66.9 -37.1 7.8 40.2 15.4 44 68 A N S > S+ 0 0 58 -27,-0.4 3,-2.1 -3,-0.0 6,-0.2 0.561 109.2 92.6-143.2 -28.3 5.2 42.6 14.0 45 69 A C T 3 S+ 0 0 14 1,-0.3 18,-0.3 5,-0.1 17,-0.1 0.620 89.4 48.3 -68.8 -16.1 6.4 45.2 11.5 46 70 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 2,-0.2 0.348 82.2 115.8-101.2 5.7 5.8 43.2 8.3 47 71 A K S X> S- 0 0 12 -3,-2.1 4,-2.9 1,-0.1 3,-1.8 -0.535 76.3-118.8 -72.4 140.2 2.2 42.2 9.2 48 72 A W H 3> S+ 0 0 13 33,-0.5 4,-2.0 1,-0.3 40,-0.2 0.876 110.8 44.8 -47.7 -54.4 -0.3 43.7 6.8 49 73 A G H 34 S+ 0 0 20 38,-2.6 -1,-0.3 37,-0.2 39,-0.2 0.514 117.6 45.7 -72.4 -8.3 -2.2 45.8 9.3 50 74 A V H <4 S+ 0 0 72 -3,-1.8 -2,-0.2 37,-0.3 -1,-0.2 0.784 116.1 42.8 -98.9 -44.3 1.0 47.1 11.0 51 75 A L H < S+ 0 0 4 -4,-2.9 8,-2.2 -7,-0.2 2,-0.3 0.789 122.8 36.8 -69.2 -31.4 2.9 48.0 7.8 52 76 A R B < S-I 58 0B 14 -4,-2.0 6,-0.2 -5,-0.4 37,-0.1 -0.920 77.5-128.8-127.5 150.1 -0.1 49.6 6.2 53 77 A D > - 0 0 62 4,-2.1 3,-1.9 -2,-0.3 36,-0.1 -0.226 43.2 -88.3 -88.7-179.8 -3.0 51.6 7.4 54 78 A A T 3 S+ 0 0 44 1,-0.3 -1,-0.1 2,-0.1 -5,-0.0 0.653 128.1 57.2 -67.2 -17.5 -6.7 51.0 6.8 55 79 A Q T 3 S- 0 0 155 2,-0.1 -1,-0.3 37,-0.0 -3,-0.0 0.378 121.1-107.4 -90.4 2.7 -6.5 53.0 3.6 56 80 A G < + 0 0 20 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.528 68.7 150.4 86.2 7.0 -3.8 50.8 2.2 57 81 A Q - 0 0 106 1,-0.1 -4,-2.1 2,-0.0 2,-0.3 -0.504 37.8-135.0 -79.0 140.4 -1.0 53.4 2.7 58 82 A W B -I 52 0B 65 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.748 20.1-174.6-101.6 143.0 2.4 52.0 3.5 59 83 A N - 0 0 112 -8,-2.2 3,-0.3 -2,-0.3 4,-0.3 -0.915 1.7-175.7-136.7 109.3 5.0 53.2 6.1 60 84 A W > + 0 0 39 -2,-0.4 4,-3.0 1,-0.2 5,-0.4 0.349 48.7 109.9 -87.9 5.0 8.3 51.4 5.8 61 85 A K H > S+ 0 0 150 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.899 87.6 30.0 -52.9 -53.9 10.1 52.8 8.8 62 86 A D H > S+ 0 0 68 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.901 119.5 52.5 -77.3 -39.1 10.2 49.7 11.0 63 87 A A H > S+ 0 0 0 -4,-0.3 4,-2.0 -18,-0.3 -2,-0.2 0.921 112.1 46.7 -63.4 -43.7 10.3 47.1 8.2 64 88 A D H X S+ 0 0 59 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.866 110.2 53.4 -64.9 -39.4 13.3 48.8 6.6 65 89 A A H X S+ 0 0 29 -4,-1.5 4,-2.2 -5,-0.4 -2,-0.2 0.906 108.1 51.3 -59.7 -43.9 15.0 49.1 10.0 66 90 A F H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.932 112.1 44.8 -58.0 -47.0 14.6 45.4 10.6 67 91 A V H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.883 111.5 53.4 -69.7 -35.2 16.1 44.6 7.2 68 92 A A H X S+ 0 0 61 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.879 108.6 51.2 -61.8 -38.3 18.9 47.0 7.8 69 93 A F H X S+ 0 0 7 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.950 112.0 44.6 -65.4 -50.4 19.7 45.3 11.1 70 94 A G H X>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.6 0.906 115.0 49.5 -63.1 -36.3 19.8 41.8 9.6 71 95 A T H ><5S+ 0 0 87 -4,-2.4 3,-1.0 -5,-0.2 -2,-0.2 0.947 109.6 51.2 -66.0 -45.1 22.0 43.2 6.7 72 96 A K H 3<5S+ 0 0 154 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.877 119.3 35.8 -58.2 -41.4 24.3 44.9 9.1 73 97 A H H 3<5S- 0 0 50 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.335 108.3-120.0 -97.2 6.4 24.9 41.8 11.2 74 98 A N T <<5 + 0 0 152 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.2 0.925 55.8 162.0 49.1 54.5 24.7 39.3 8.2 75 99 A L < - 0 0 14 -5,-2.3 -36,-0.2 -6,-0.1 -1,-0.2 -0.798 46.6-111.5-102.2 141.1 21.8 37.4 9.7 76 100 A H E -c 39 0A 49 -38,-2.4 -36,-2.3 -2,-0.3 2,-0.4 -0.516 41.2-149.4 -62.8 136.5 19.4 35.1 7.8 77 101 A M E -c 40 0A 7 47,-0.3 50,-1.6 -38,-0.2 49,-1.3 -0.974 14.3-161.2-126.7 132.1 16.1 36.9 7.6 78 102 A V E -d 127 0A 0 -38,-2.3 2,-0.3 -2,-0.4 50,-0.2 -0.931 17.8-137.0-109.7 120.8 12.6 35.5 7.5 79 103 A G E -d 128 0A 0 48,-3.0 50,-2.8 -2,-0.5 2,-0.3 -0.596 22.8-137.1 -75.2 139.7 9.7 37.7 6.3 80 104 A H E -d 129 0A 6 -2,-0.3 -34,-0.5 1,-0.2 50,-0.1 -0.942 57.7 -17.6-145.2 116.5 6.6 37.3 8.5 81 105 A T E + 0 0 3 48,-0.6 -33,-0.5 -2,-0.3 -1,-0.2 0.666 38.1 172.7-145.3 147.7 4.0 37.1 7.1 82 106 A L E S+ 0 0 1 47,-2.3 2,-0.5 1,-0.2 49,-0.2 0.952 86.6 23.2 -71.9 -50.3 2.3 37.8 3.7 83 107 A V E S+d 131 0A 0 47,-2.1 49,-1.9 46,-0.3 2,-0.3 -0.947 75.7 134.6-130.2 112.2 -1.1 36.3 4.1 84 108 A W - 0 0 28 -2,-0.5 49,-0.1 47,-0.2 -36,-0.1 -0.978 52.1-129.4-154.6 153.2 -2.7 35.8 7.5 85 109 A H S S+ 0 0 63 47,-0.4 3,-0.3 -2,-0.3 2,-0.3 0.532 85.5 74.3 -86.9 -8.3 -6.2 36.5 9.1 86 110 A S S S+ 0 0 47 1,-0.2 -37,-0.2 3,-0.0 -38,-0.2 -0.715 92.9 19.6-108.0 156.3 -4.8 38.4 12.1 87 111 A Q S S+ 0 0 75 -2,-0.3 -38,-2.6 1,-0.2 -37,-0.3 0.927 95.8 117.2 51.4 51.6 -3.4 41.9 12.4 88 112 A I S S- 0 0 21 -3,-0.3 -1,-0.2 -40,-0.2 2,-0.1 -0.986 70.1-105.3-150.0 137.1 -5.0 43.0 9.2 89 113 A H > - 0 0 46 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.349 16.2-134.4 -68.9 140.9 -7.7 45.6 8.6 90 114 A D G >> S+ 0 0 89 1,-0.3 4,-1.8 2,-0.2 3,-1.4 0.779 102.5 76.3 -62.1 -23.7 -11.2 44.5 8.0 91 115 A E G 34 S+ 0 0 104 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.666 82.0 66.3 -60.1 -21.3 -11.1 47.1 5.2 92 116 A V G <4 S+ 0 0 9 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.900 118.2 21.9 -63.7 -35.7 -9.0 44.7 3.1 93 117 A F T <4 S+ 0 0 3 -3,-1.4 8,-2.1 -4,-0.4 2,-0.3 0.588 118.8 54.4-106.6 -19.5 -12.0 42.3 2.9 94 118 A K B < -J 100 0C 63 -4,-1.8 6,-0.2 6,-0.2 2,-0.1 -0.920 67.0-124.6-130.6 143.7 -15.1 44.4 3.5 95 119 A N > - 0 0 81 4,-3.1 3,-2.2 -2,-0.3 -2,-0.1 -0.398 49.1 -99.1 -68.7 165.1 -17.0 47.4 2.4 96 120 A A T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -5,-0.0 0.755 124.2 61.7 -63.7 -22.6 -17.8 49.9 5.1 97 121 A D T 3 S- 0 0 131 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.483 121.9-104.1 -80.6 -3.6 -21.3 48.4 5.3 98 122 A G S < S+ 0 0 40 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.171 77.9 132.0 102.3 -17.8 -19.9 45.0 6.3 99 123 A S - 0 0 50 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.353 59.3-110.0 -73.0 148.9 -20.4 43.2 3.0 100 124 A Y B -J 94 0C 86 -6,-0.2 -6,-0.2 -3,-0.1 2,-0.1 -0.514 26.2-125.7 -75.6 145.7 -17.5 41.3 1.4 101 125 A I - 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