==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-APR-07 2PHD . COMPND 2 MOLECULE: GENTISATE 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDAMINOBACTER SALICYLATOXIDANS; . AUTHOR I.MATERA,M.FERRARONI,F.BRIGANTI . 1397 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 957 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 469 33.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 22 1.6 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 . 2 0.1 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 . 113 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 10 2 0 1 2 2 1 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 17 7 28 8 14 14 8 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 . 3 0 0 4 3 5 4 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 17 A P 0 0 119 0, 0.0 761,-0.0 0, 0.0 766,-0.0 0.000 360.0 360.0 360.0-107.8 -25.0 36.3 44.9 2 18 A K - 0 0 52 1,-0.1 760,-0.1 764,-0.0 765,-0.0 0.721 360.0 -49.9-128.4 -93.5 -23.8 39.6 46.4 3 19 A D - 0 0 70 758,-0.2 -1,-0.1 763,-0.0 759,-0.0 0.202 35.9-131.1-132.7-117.4 -24.9 42.0 49.3 4 20 A T > + 0 0 68 -2,-0.0 4,-1.3 0, 0.0 3,-0.4 0.131 65.5 101.5-178.2 -29.5 -28.3 43.5 50.4 5 21 A P T 4 S- 0 0 95 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.808 111.2 -15.5 -42.1 -82.9 -28.2 47.3 51.1 6 22 A E T 4 S+ 0 0 139 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.150 117.4 94.7-116.7 24.2 -29.7 49.1 48.1 7 23 A L T > S+ 0 0 13 -3,-0.4 4,-2.1 3,-0.1 3,-0.3 0.848 77.0 62.0 -77.8 -38.6 -29.4 45.9 46.1 8 24 A R H X S+ 0 0 147 -4,-1.3 2,-1.5 1,-0.3 4,-1.3 0.903 99.7 53.7 -54.6 -47.4 -33.0 45.1 47.0 9 25 A A H 4 S+ 0 0 54 2,-0.2 -1,-0.3 1,-0.2 -3,-0.0 -0.664 107.1 49.0 -95.3 72.8 -34.2 48.2 45.3 10 26 A L H > S+ 0 0 5 -2,-1.5 4,-2.7 -3,-0.3 -1,-0.2 -0.261 104.8 57.2-161.3 -51.6 -32.6 47.5 41.9 11 27 A Y H X S+ 0 0 56 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.832 104.0 58.4 -45.6 -36.1 -33.9 44.0 42.0 12 28 A K H X S+ 0 0 113 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 0.962 103.7 47.8 -55.5 -58.1 -37.2 46.0 42.3 13 29 A S H > S+ 0 0 26 1,-0.2 4,-3.8 2,-0.2 5,-0.2 0.886 107.8 56.9 -55.1 -41.8 -36.5 47.8 39.0 14 30 A F H X>S+ 0 0 5 -4,-2.7 5,-1.7 1,-0.2 4,-1.3 0.971 107.0 48.4 -52.7 -54.1 -35.7 44.5 37.4 15 31 A E H <5S+ 0 0 139 -4,-2.0 -2,-0.2 1,-0.2 3,-0.2 0.864 116.2 43.9 -53.6 -41.6 -39.2 43.2 38.4 16 32 A E H <5S+ 0 0 129 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.889 118.3 42.8 -72.4 -40.3 -40.7 46.4 37.0 17 33 A E H <5S- 0 0 66 -4,-3.8 -2,-0.2 -5,-0.2 -1,-0.2 0.482 112.6-116.8 -88.1 1.3 -38.7 46.4 33.8 18 34 A S T <5 + 0 0 24 -4,-1.3 757,-1.9 -3,-0.2 2,-0.4 0.928 64.6 142.3 60.4 52.8 -39.1 42.6 33.3 19 35 A I E < -A 774 0A 7 -5,-1.7 -1,-0.2 755,-0.2 755,-0.2 -0.990 34.2-167.0-121.5 120.5 -35.4 41.7 33.6 20 36 A I E -A 773 0A 37 753,-2.1 753,-1.6 -2,-0.4 2,-0.3 -0.967 26.2-131.3-103.2 124.9 -34.2 38.5 35.3 21 37 A P E -A 772 0A 8 0, 0.0 751,-0.3 0, 0.0 3,-0.2 -0.596 8.7-130.0 -78.2 136.4 -30.4 38.8 35.9 22 38 A L S S+ 0 0 30 749,-4.0 748,-0.1 -2,-0.3 750,-0.1 0.842 99.3 63.8 -51.7 -42.6 -28.2 35.8 34.9 23 39 A W S S+ 0 0 15 746,-0.7 2,-1.6 748,-0.2 -1,-0.2 0.903 88.3 62.8 -57.0 -58.0 -26.4 35.6 38.3 24 40 A T S S+ 0 0 48 -3,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.510 87.5 128.4 -65.2 89.0 -29.3 34.8 40.7 25 41 A Q S S- 0 0 53 -2,-1.6 2,-0.2 -5,-0.0 4,-0.1 -0.873 71.4-110.6-162.3 125.6 -30.0 31.4 38.9 26 42 A L > - 0 0 159 -2,-0.3 3,-1.0 1,-0.2 4,-0.2 -0.284 36.6-135.9 -50.9 108.1 -30.4 27.7 39.5 27 43 A G G > S+ 0 0 48 1,-0.3 3,-0.8 -2,-0.2 -1,-0.2 0.507 96.0 81.3 -51.0 -8.8 -27.1 26.4 37.9 28 44 A D G 3 + 0 0 80 1,-0.2 -1,-0.3 3,-0.1 7,-0.1 0.008 62.7 89.6 -89.0 24.5 -29.2 23.7 36.2 29 45 A L G < S+ 0 0 9 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.786 106.4 25.9 -75.3 -36.4 -30.3 26.2 33.6 30 46 A M S < S- 0 0 27 -3,-0.8 -1,-0.3 -4,-0.2 838,-0.0 -0.783 98.9-162.4-124.1 86.9 -27.2 24.8 31.9 31 47 A P - 0 0 14 0, 0.0 -3,-0.1 0, 0.0 4,-0.0 -0.237 31.0-118.1 -70.5 153.6 -26.8 21.3 33.4 32 48 A I S S- 0 0 93 842,-0.2 843,-1.4 1,-0.2 -4,-0.0 0.876 101.5 -16.9 -52.2 -44.1 -23.6 19.1 33.4 33 49 A H S S- 0 0 66 841,-0.2 -1,-0.2 0, 0.0 841,-0.2 -0.904 106.5 -54.7-151.4 169.9 -25.7 16.7 31.3 34 50 A P + 0 0 6 0, 0.0 2,-0.3 0, 0.0 834,-0.1 -0.191 44.5 179.6 -55.2 139.4 -29.5 16.5 30.8 35 51 A K - 0 0 111 -7,-0.1 836,-0.1 281,-0.0 280,-0.1 -0.789 21.0-154.3-137.9 88.9 -31.6 16.2 33.9 36 52 A S - 0 0 26 278,-0.5 833,-0.1 -2,-0.3 834,-0.0 -0.334 23.8-142.6 -72.4 143.7 -35.2 16.1 32.7 37 53 A K S S+ 0 0 168 832,-0.1 -1,-0.1 2,-0.1 41,-0.1 0.832 89.0 87.2 -62.4 -37.0 -38.2 17.1 34.8 38 54 A A S S- 0 0 4 39,-0.1 -2,-0.1 37,-0.1 46,-0.1 -0.373 74.4-151.0 -64.1 149.3 -39.8 14.1 33.0 39 55 A V - 0 0 64 -2,-0.1 37,-0.2 273,-0.0 272,-0.1 -0.875 22.1 -93.4-132.7 143.7 -39.2 10.9 34.9 40 56 A P + 0 0 36 0, 0.0 2,-0.3 0, 0.0 272,-0.2 -0.438 57.2 162.4 -55.8 134.8 -38.8 7.2 33.9 41 57 A H E -G 311 0B 54 270,-0.9 270,-1.7 -2,-0.1 2,-0.3 -0.984 28.7-148.7-159.5 147.3 -42.3 5.5 34.2 42 58 A V E -G 310 0B 26 -2,-0.3 2,-0.4 268,-0.2 268,-0.2 -0.876 5.3-154.5-117.3 150.7 -44.1 2.4 33.1 43 59 A W E -G 309 0B 8 266,-3.4 266,-2.0 -2,-0.3 2,-0.2 -0.969 19.7-132.8-125.2 115.8 -47.9 1.9 32.3 44 60 A K > - 0 0 78 -2,-0.4 4,-2.5 264,-0.2 3,-0.3 -0.459 9.4-141.5 -66.7 130.0 -49.3 -1.7 32.7 45 61 A W H > S+ 0 0 20 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.926 99.8 59.9 -58.4 -47.7 -51.4 -2.6 29.7 46 62 A S H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.877 110.4 43.7 -50.6 -39.0 -54.1 -4.5 31.8 47 63 A T H > S+ 0 0 23 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.976 113.5 50.3 -65.9 -53.6 -54.6 -1.1 33.6 48 64 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.922 113.5 45.7 -47.8 -53.4 -54.6 0.8 30.3 49 65 A L H X S+ 0 0 29 -4,-3.7 4,-2.9 2,-0.2 -1,-0.2 0.874 111.7 51.2 -61.2 -42.6 -57.2 -1.6 28.7 50 66 A R H X S+ 0 0 147 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.972 114.0 43.2 -62.2 -51.2 -59.5 -1.6 31.8 51 67 A L H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.826 112.4 55.0 -62.9 -31.7 -59.6 2.1 31.9 52 68 A A H < S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.962 111.0 43.6 -65.1 -50.4 -60.0 2.3 28.1 53 69 A R H >X S+ 0 0 139 -4,-2.9 3,-0.8 2,-0.2 4,-0.7 0.862 111.1 53.9 -62.1 -40.5 -63.1 -0.0 28.2 54 70 A K H 3< S+ 0 0 38 -4,-2.6 3,-0.2 1,-0.3 -2,-0.2 0.983 105.2 52.5 -58.1 -57.3 -64.6 1.8 31.2 55 71 A S T >X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 3,-0.6 0.636 97.0 84.0 -47.5 -13.7 -64.2 5.0 29.2 56 72 A G T <4 S+ 0 0 17 -3,-0.8 2,-1.2 1,-0.3 3,-0.5 0.987 103.1 16.1 -52.4 -83.5 -66.1 2.7 26.7 57 73 A E T 3< S+ 0 0 94 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.1 -0.734 123.2 60.6 -97.3 83.1 -69.7 3.2 27.9 58 74 A L T <4 S+ 0 0 55 -2,-1.2 648,-0.3 -3,-0.6 -1,-0.2 0.172 106.2 37.2-167.6 -33.5 -69.2 6.3 30.0 59 75 A V S < S+ 0 0 0 -4,-1.0 2,-0.1 -3,-0.5 5,-0.1 -0.906 83.5 175.3-130.6 96.9 -68.0 8.9 27.5 60 76 A P - 0 0 62 0, 0.0 6,-0.2 0, 0.0 -3,-0.1 -0.431 41.4 -57.2-105.0 176.3 -69.8 8.3 24.2 61 77 A V S S+ 0 0 74 4,-0.3 2,-0.4 -2,-0.1 4,-0.2 -0.201 120.4 19.0 -50.0 143.1 -70.0 10.0 20.8 62 78 A G S S+ 0 0 51 2,-0.4 4,-0.5 -3,-0.1 -3,-0.0 -0.807 114.5 60.1 85.1-138.5 -71.2 13.6 21.2 63 79 A R S S- 0 0 104 -2,-0.4 2,-0.3 641,-0.2 643,-0.1 0.136 136.8 -44.5 -16.7 91.5 -70.5 14.6 24.9 64 80 A G S S+ 0 0 14 640,-0.1 2,-2.0 -5,-0.1 -2,-0.4 -0.630 110.6 105.5 72.4-132.7 -66.6 14.0 24.9 65 81 A G > + 0 0 3 -2,-0.3 3,-0.6 1,-0.3 -4,-0.3 -0.190 58.1 68.6 80.9 -47.9 -66.2 10.7 23.0 66 82 A E T 3 S+ 0 0 88 -2,-2.0 -1,-0.3 -4,-0.5 -5,-0.1 0.597 105.9 53.3 -80.1 -18.9 -64.9 11.2 19.5 67 83 A R T 3 S+ 0 0 116 -3,-0.1 2,-1.7 2,-0.0 659,-0.6 -0.403 74.5 151.6-102.7 54.4 -61.8 12.3 21.4 68 84 A R < + 0 0 6 -3,-0.6 25,-2.6 -4,-0.1 2,-0.4 -0.550 24.0 130.5 -86.0 77.7 -61.7 9.0 23.4 69 85 A A E -N 92 0C 0 -2,-1.7 656,-2.9 23,-0.2 2,-1.0 -0.995 50.1-146.3-135.8 126.0 -58.0 8.9 23.9 70 86 A L E -NO 91 724C 2 21,-3.4 21,-1.9 -2,-0.4 2,-0.2 -0.800 19.3-151.3 -99.1 99.3 -56.2 8.4 27.2 71 87 A G E -NO 90 723C 0 652,-1.6 652,-3.1 -2,-1.0 2,-0.6 -0.481 14.8-126.2 -71.6 134.1 -53.0 10.4 27.2 72 88 A L E - O 0 722C 1 17,-3.4 2,-0.6 650,-0.2 17,-0.4 -0.737 27.8-152.2 -82.0 118.4 -50.2 9.0 29.3 73 89 A A - 0 0 8 648,-3.0 10,-0.2 -2,-0.6 5,-0.1 -0.822 10.7-128.2-101.3 121.5 -49.2 11.8 31.6 74 90 A N > - 0 0 4 8,-2.8 3,-2.9 -2,-0.6 5,-0.3 -0.519 13.6-137.2 -70.0 118.4 -45.6 11.9 32.8 75 91 A P T 3 S+ 0 0 63 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.773 102.0 52.1 -39.1 -36.7 -45.6 12.3 36.7 76 92 A G T 3 S+ 0 0 28 1,-0.2 -2,-0.1 -37,-0.2 -3,-0.0 0.372 88.2 78.6 -91.0 2.4 -42.8 14.9 36.4 77 93 A L S X S- 0 0 22 -3,-2.9 3,-1.6 5,-0.2 -1,-0.2 -0.114 104.0-109.8-107.2 38.4 -44.4 17.2 33.8 78 94 A G T 3 S- 0 0 72 -3,-0.4 -2,-0.1 1,-0.3 -4,-0.0 0.789 74.1 -50.1 38.2 52.1 -46.7 19.0 36.3 79 95 A G T 3 S+ 0 0 55 -5,-0.3 -1,-0.3 -4,-0.2 -3,-0.1 0.680 100.0 131.9 72.0 19.4 -50.1 17.7 35.1 80 96 A N < - 0 0 66 -3,-1.6 -2,-0.1 -6,-0.3 3,-0.1 0.758 67.2-123.9 -76.1 -24.7 -49.5 18.4 31.5 81 97 A A + 0 0 3 1,-0.3 2,-0.5 -7,-0.2 -9,-0.1 0.835 65.9 134.4 77.0 32.4 -50.4 15.1 29.7 82 98 A Y - 0 0 9 -8,-0.2 -8,-2.8 1,-0.1 -1,-0.3 -0.981 47.0-161.2-112.7 125.3 -47.1 14.8 28.1 83 99 A I S S- 0 0 0 4,-1.1 5,-0.2 -2,-0.5 -1,-0.1 0.833 86.5 -0.0 -70.3 -31.4 -45.4 11.4 28.2 84 100 A S S S- 0 0 0 3,-1.6 -1,-0.2 -3,-0.1 3,-0.1 -0.930 89.1 -93.2-146.2 169.1 -42.1 13.3 27.5 85 101 A P S S+ 0 0 6 0, 0.0 82,-0.2 0, 0.0 786,-0.1 0.731 126.4 29.1 -56.9 -20.0 -41.2 16.9 26.9 86 102 A T S S+ 0 0 1 77,-0.2 78,-1.5 1,-0.1 2,-0.3 0.673 112.8 63.3-112.5 -26.7 -41.7 16.3 23.2 87 103 A M - 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