==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-MAY-12 4FBF . COMPND 2 MOLECULE: GENTISATE 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDAMINOBACTER SALICYLATOXIDANS; . AUTHOR M.FERRARONI,F.BRIGANTI,I.MATERA . 340 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 1 0.3 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 . 30 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 2 1 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 2 4 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 2 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 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 16 A Q 0 0 236 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -40.7 16.6 -65.1 -42.1 2 17 A P - 0 0 51 0, 0.0 2,-0.1 0, 0.0 6,-0.0 -0.475 360.0 -87.0 -69.9 147.6 14.4 -68.3 -42.8 3 18 A K - 0 0 186 1,-0.1 2,-1.8 -2,-0.1 5,-0.2 -0.350 43.7-127.4 -53.1 119.7 15.1 -70.2 -46.0 4 19 A D + 0 0 118 -2,-0.1 -1,-0.1 4,-0.1 3,-0.0 -0.521 54.2 144.9 -78.6 79.6 12.9 -68.5 -48.6 5 20 A T > - 0 0 45 -2,-1.8 4,-2.5 1,-0.0 5,-0.2 -0.529 66.1 -97.7-104.7 168.5 11.0 -71.5 -50.1 6 21 A P H > S+ 0 0 80 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.939 124.2 53.9 -47.4 -49.2 7.4 -72.0 -51.3 7 22 A E H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.865 110.1 46.3 -61.4 -38.5 6.4 -73.4 -47.9 8 23 A L H > S+ 0 0 27 2,-0.2 4,-2.2 -5,-0.2 -1,-0.2 0.913 110.1 53.2 -67.1 -43.4 7.7 -70.3 -46.2 9 24 A R H X S+ 0 0 133 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.912 110.0 49.6 -57.3 -40.6 6.0 -68.0 -48.7 10 25 A A H X S+ 0 0 59 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.859 105.9 55.4 -67.0 -39.4 2.7 -69.9 -47.9 11 26 A L H X S+ 0 0 77 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.933 110.0 47.4 -51.4 -49.4 3.3 -69.5 -44.1 12 27 A Y H X S+ 0 0 64 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.880 107.1 55.1 -65.2 -39.7 3.5 -65.7 -44.6 13 28 A K H X S+ 0 0 121 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.917 109.8 47.9 -59.0 -44.0 0.4 -65.7 -46.8 14 29 A S H X S+ 0 0 56 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.871 108.2 55.0 -58.8 -42.5 -1.4 -67.4 -43.9 15 30 A F H X>S+ 0 0 35 -4,-2.1 5,-2.1 1,-0.2 4,-1.0 0.974 108.7 47.6 -56.8 -57.7 -0.0 -64.9 -41.4 16 31 A E H ><5S+ 0 0 158 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.871 115.3 46.5 -43.6 -48.2 -1.4 -62.0 -43.4 17 32 A E H 3<5S+ 0 0 117 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.862 116.7 42.0 -69.5 -39.2 -4.8 -63.8 -43.7 18 33 A E H 3<5S- 0 0 135 -4,-2.9 -1,-0.2 -3,-0.2 -2,-0.2 0.341 112.4-111.9 -93.6 4.8 -5.0 -64.7 -40.0 19 34 A S T <<5 + 0 0 112 -4,-1.0 2,-0.4 -3,-0.6 -3,-0.2 0.884 69.1 141.8 62.6 43.8 -3.7 -61.3 -38.6 20 35 A I < - 0 0 90 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.920 32.4-170.0-109.1 133.4 -0.5 -62.7 -37.3 21 36 A I - 0 0 127 -2,-0.4 2,-0.1 -5,-0.0 -9,-0.0 -0.995 20.1-138.1-121.3 123.3 2.8 -60.7 -37.5 22 37 A P > - 0 0 17 0, 0.0 3,-0.6 0, 0.0 4,-0.2 -0.485 5.9-137.3 -81.4 154.9 5.9 -62.8 -36.6 23 38 A L G > S+ 0 0 107 1,-0.2 3,-0.6 2,-0.2 7,-0.1 0.692 94.7 68.8 -89.8 -14.5 8.5 -61.1 -34.6 24 39 A W G 3 S+ 0 0 140 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.484 97.0 53.4 -84.3 -6.6 11.6 -62.5 -36.5 25 40 A T G < 0 0 73 -3,-0.6 -1,-0.3 -24,-0.1 -2,-0.2 0.521 360.0 360.0 -92.1 -10.0 10.7 -60.3 -39.5 26 41 A Q < 0 0 111 -3,-0.6 -2,-0.1 -4,-0.2 -3,-0.1 0.752 360.0 360.0 -91.5 360.0 10.6 -57.3 -37.2 27 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 43 A G 0 0 60 0, 0.0 3,-0.4 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 -65.1 13.8 -55.4 -33.0 29 44 A D + 0 0 97 1,-0.2 -3,-0.0 3,-0.1 0, 0.0 0.577 360.0 70.9 -69.7 -17.9 12.7 -51.8 -33.8 30 45 A L S S+ 0 0 109 1,-0.3 -1,-0.2 -7,-0.1 -7,-0.0 0.715 107.9 33.8 -67.7 -24.6 9.8 -52.8 -31.6 31 46 A M S S- 0 0 138 -3,-0.4 -1,-0.3 4,-0.0 2,-0.0 -0.763 86.6-166.1-137.3 83.7 12.2 -52.6 -28.6 32 47 A P - 0 0 67 0, 0.0 -3,-0.1 0, 0.0 4,-0.0 -0.218 32.6-114.3 -76.8 162.1 14.9 -49.9 -29.0 33 48 A I S S- 0 0 161 1,-0.2 -4,-0.0 2,-0.0 3,-0.0 0.841 100.0 -11.7 -63.3 -36.7 18.2 -49.5 -27.0 34 49 A H S S- 0 0 83 0, 0.0 -1,-0.2 0, 0.0 274,-0.0 -0.915 105.4 -58.3-152.2 168.0 16.9 -46.2 -25.6 35 50 A P - 0 0 48 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.238 46.5-175.6 -58.1 139.1 13.8 -44.1 -26.6 36 51 A K - 0 0 142 273,-0.0 272,-0.1 -4,-0.0 271,-0.0 -0.669 16.3-156.2-136.3 78.9 13.9 -43.0 -30.2 37 52 A S - 0 0 50 270,-0.5 271,-0.0 -2,-0.3 0, 0.0 -0.010 23.5-148.2 -56.4 155.5 10.9 -40.7 -30.7 38 53 A K S S+ 0 0 170 2,-0.1 -1,-0.1 37,-0.0 38,-0.1 0.749 83.9 88.8 -87.1 -37.2 9.2 -40.0 -34.0 39 54 A A S S- 0 0 4 36,-0.1 43,-0.1 34,-0.1 42,-0.1 -0.282 75.8-145.9 -54.4 146.8 8.5 -36.6 -32.6 40 55 A V - 0 0 64 265,-0.0 34,-0.1 269,-0.0 264,-0.1 -0.874 20.9 -99.3-122.4 148.6 11.4 -34.3 -33.3 41 56 A P + 0 0 32 0, 0.0 2,-0.3 0, 0.0 264,-0.2 -0.444 57.8 166.7 -61.0 144.5 12.9 -31.4 -31.3 42 57 A H E -A 304 0A 63 262,-1.0 262,-2.1 -2,-0.1 2,-0.4 -0.987 28.5-145.6-161.4 152.3 11.3 -28.3 -32.8 43 58 A V E -A 303 0A 33 -2,-0.3 2,-0.5 260,-0.2 260,-0.2 -0.973 4.7-157.7-126.2 139.2 10.9 -24.5 -32.0 44 59 A W E -A 302 0A 42 258,-3.2 258,-2.3 -2,-0.4 2,-0.5 -0.978 20.6-132.4-116.3 126.9 8.0 -22.2 -32.8 45 60 A K >> - 0 0 74 -2,-0.5 4,-2.1 256,-0.2 3,-0.8 -0.655 8.0-140.6 -82.7 122.9 8.8 -18.4 -33.0 46 61 A W H 3> S+ 0 0 19 -2,-0.5 4,-3.5 1,-0.2 5,-0.2 0.874 101.7 58.3 -46.0 -46.5 6.3 -16.3 -31.0 47 62 A S H 3> S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 109.2 46.3 -60.6 -36.1 6.3 -13.6 -33.7 48 63 A T H <> S+ 0 0 53 -3,-0.8 4,-2.3 2,-0.2 5,-0.3 0.988 114.1 46.2 -61.0 -62.5 5.1 -16.2 -36.2 49 64 A L H X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.848 113.7 52.1 -50.2 -36.9 2.4 -17.7 -33.8 50 65 A L H X S+ 0 0 22 -4,-3.5 4,-2.4 -5,-0.2 -1,-0.2 0.951 109.8 45.0 -66.1 -50.5 1.4 -14.1 -33.1 51 66 A R H X S+ 0 0 141 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.940 116.2 46.2 -63.6 -47.4 0.9 -13.0 -36.7 52 67 A L H X S+ 0 0 85 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.814 111.2 52.8 -61.6 -34.4 -1.0 -16.2 -37.7 53 68 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.915 112.1 46.4 -65.9 -39.5 -3.2 -15.9 -34.5 54 69 A R H X S+ 0 0 140 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.943 111.0 50.8 -67.8 -46.6 -4.0 -12.4 -35.5 55 70 A K H >X S+ 0 0 92 -4,-3.2 4,-2.4 1,-0.2 3,-0.8 0.952 108.0 53.5 -54.8 -49.0 -4.7 -13.3 -39.0 56 71 A S H 3X S+ 0 0 30 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.906 103.1 58.0 -50.6 -45.6 -7.0 -16.1 -37.7 57 72 A G H 3< S+ 0 0 25 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.863 112.0 41.7 -50.4 -40.2 -8.8 -13.4 -35.7 58 73 A E H << S+ 0 0 123 -4,-1.6 -2,-0.2 -3,-0.8 -1,-0.2 0.952 122.0 36.1 -71.7 -49.4 -9.6 -11.6 -38.9 59 74 A L H < S+ 0 0 128 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.534 115.6 48.2 -89.4 -7.8 -10.5 -14.5 -41.2 60 75 A V < + 0 0 51 -4,-2.0 -1,-0.2 -5,-0.3 6,-0.1 -0.769 40.4 161.1-141.5 86.0 -12.3 -16.9 -38.9 61 76 A P + 0 0 113 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.215 63.9 98.7 -89.4 14.4 -15.0 -15.4 -36.7 62 77 A V 0 0 116 -3,-0.0 -3,-0.0 3,-0.0 0, 0.0 -0.602 360.0 360.0 -87.5 57.0 -15.9 -19.1 -36.6 63 78 A G 0 0 45 -2,-0.8 29,-0.1 2,-0.2 34,-0.0 -0.197 360.0 360.0-105.4 360.0 -14.2 -19.4 -33.2 64 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 65 83 A R 0 0 107 0, 0.0 2,-1.6 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 171.4 -12.9 -22.4 -31.8 66 84 A R + 0 0 13 25,-0.2 25,-2.1 -6,-0.1 2,-0.4 -0.382 360.0 138.7 -75.8 78.1 -9.7 -20.3 -32.8 67 85 A A E -G 90 0B 38 -2,-1.6 2,-0.8 23,-0.2 23,-0.3 -0.992 42.1-150.2-127.8 127.0 -6.7 -22.4 -31.6 68 86 A L E -G 89 0B 37 21,-2.9 21,-2.4 -2,-0.4 2,-0.3 -0.868 20.3-147.7 -98.1 103.4 -3.5 -23.0 -33.6 69 87 A G E -G 88 0B 33 -2,-0.8 2,-0.6 19,-0.3 19,-0.3 -0.597 12.5-128.0 -77.8 127.6 -2.2 -26.4 -32.6 70 88 A L - 0 0 2 17,-3.3 2,-0.6 -2,-0.3 17,-0.5 -0.713 29.6-158.3 -76.7 121.7 1.6 -26.8 -32.6 71 89 A A - 0 0 45 -2,-0.6 10,-0.2 10,-0.1 8,-0.1 -0.905 13.2-129.1-111.4 115.0 2.1 -29.9 -34.8 72 90 A N > - 0 0 4 8,-2.8 3,-1.5 -2,-0.6 5,-0.4 -0.357 13.7-135.9 -62.9 135.3 5.3 -31.8 -34.4 73 91 A P T 3 S+ 0 0 81 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.807 102.5 54.1 -66.0 -21.1 6.9 -32.4 -37.8 74 92 A G T 3 S+ 0 0 26 1,-0.2 -2,-0.1 -34,-0.1 -35,-0.1 0.485 86.2 85.3 -88.5 -1.7 7.7 -36.0 -37.0 75 93 A L S X S- 0 0 18 -3,-1.5 3,-2.2 5,-0.2 5,-0.2 -0.051 101.3-108.1-100.1 40.0 4.2 -36.9 -36.0 76 94 A G T 3 S- 0 0 76 -3,-0.4 -2,-0.1 1,-0.3 -1,-0.1 0.736 77.7 -50.4 54.7 34.1 2.7 -37.8 -39.4 77 95 A G T 3 S+ 0 0 81 -5,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.420 99.3 139.7 87.6 -1.7 0.4 -34.8 -39.8 78 96 A N < - 0 0 68 -3,-2.2 2,-0.5 -6,-0.1 -1,-0.3 -0.442 64.7-116.4 -74.4 157.7 -1.3 -35.1 -36.3 79 97 A A S S+ 0 0 51 -8,-0.1 2,-0.5 -2,-0.1 8,-0.4 0.132 75.4 124.2 -85.7 27.9 -2.0 -32.1 -34.2 80 98 A Y - 0 0 13 -2,-0.5 -8,-2.8 -5,-0.2 6,-0.2 -0.777 49.7-166.0 -92.7 121.6 0.4 -33.3 -31.5 81 99 A I S S- 0 0 0 4,-1.0 5,-0.2 -2,-0.5 -1,-0.1 0.788 89.8 -3.8 -71.0 -21.7 3.4 -31.3 -30.2 82 100 A S S S- 0 0 0 3,-1.5 -1,-0.1 -10,-0.1 -10,-0.1 -0.917 87.8 -90.6-154.0 174.6 4.5 -34.6 -28.8 83 101 A P S S+ 0 0 46 0, 0.0 82,-0.2 0, 0.0 3,-0.1 0.766 126.2 28.2 -67.8 -19.3 3.2 -38.2 -28.5 84 102 A T S S+ 0 0 14 77,-0.1 78,-2.1 1,-0.1 79,-0.3 0.762 115.5 58.5-101.2 -36.0 1.5 -37.3 -25.1 85 103 A M - 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