==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JUN-10 3NJZ . COMPND 2 MOLECULE: GENTISATE 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDAMINOBACTER SALICYLATOXIDANS; . AUTHOR M.FERRARONI,F.BRIGANTI,I.MATERA . 364 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 61.0 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 . 100 27.5 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 0.5 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-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 . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 15.4 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 1 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 1 5 4 4 1 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 . 0 0 0 1 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 4 A E 0 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -47.7 26.0 -54.3 -23.0 2 5 A K + 0 0 104 2,-0.0 2,-0.0 0, 0.0 0, 0.0 0.626 360.0 107.1 -83.5 -15.5 27.6 -52.0 -25.6 3 6 A L - 0 0 107 4,-0.1 2,-0.2 3,-0.1 0, 0.0 -0.315 48.2-175.0 -61.5 143.7 25.8 -53.8 -28.5 4 7 A D > - 0 0 69 -2,-0.0 4,-1.7 40,-0.0 -2,-0.0 -0.669 44.9 -86.7-127.0-173.2 23.0 -52.0 -30.3 5 8 A H T 4 S+ 0 0 61 -2,-0.2 35,-0.1 1,-0.2 36,-0.1 0.716 125.7 51.6 -72.3 -16.9 20.5 -53.0 -33.0 6 9 A E T 4 S+ 0 0 123 1,-0.1 -1,-0.2 34,-0.1 -3,-0.1 0.856 117.8 34.5 -81.8 -38.4 23.0 -52.0 -35.7 7 10 A S T 4 S+ 0 0 73 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.595 91.7 104.5 -99.1 -11.5 25.9 -54.0 -34.4 8 11 A V S < S- 0 0 51 -4,-1.7 2,-0.2 1,-0.1 0, 0.0 -0.419 80.3-102.5 -70.0 143.1 24.2 -57.2 -33.0 9 12 A T - 0 0 125 -2,-0.1 2,-1.0 1,-0.1 -1,-0.1 -0.500 27.7-138.2 -59.6 127.8 24.4 -60.5 -34.9 10 13 A Q + 0 0 99 -2,-0.2 3,-0.3 1,-0.1 -1,-0.1 -0.798 33.5 166.2 -90.5 93.7 21.0 -61.1 -36.7 11 14 A A + 0 0 92 -2,-1.0 -1,-0.1 1,-0.2 -2,-0.0 0.349 59.3 71.3 -94.5 4.3 20.6 -64.9 -36.0 12 15 A M + 0 0 123 24,-0.1 -1,-0.2 2,-0.1 -2,-0.0 -0.258 58.1 131.5-113.6 43.8 16.9 -65.2 -37.0 13 16 A Q - 0 0 150 -3,-0.3 3,-0.1 3,-0.0 2,-0.0 -0.850 46.8-150.8 -95.8 104.8 17.2 -64.8 -40.8 14 17 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.371 27.7 -91.6 -73.6 158.6 15.2 -67.6 -42.3 15 18 A K - 0 0 175 1,-0.1 2,-1.6 -2,-0.0 5,-0.2 -0.515 41.7-120.1 -65.7 132.2 16.1 -69.2 -45.6 16 19 A D + 0 0 119 -2,-0.2 -1,-0.1 4,-0.1 -3,-0.0 -0.567 58.2 144.6 -81.9 85.8 14.1 -67.3 -48.3 17 20 A T > - 0 0 47 -2,-1.6 4,-2.6 1,-0.1 5,-0.2 -0.671 66.8-102.5-117.7 168.0 12.1 -70.2 -49.8 18 21 A P H > S+ 0 0 81 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.851 123.7 55.4 -62.6 -28.2 8.6 -70.5 -51.2 19 22 A E H > S+ 0 0 141 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.888 108.4 47.5 -69.6 -37.3 7.6 -72.1 -47.9 20 23 A L H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 112.1 48.4 -67.7 -48.2 8.8 -69.1 -46.0 21 24 A R H X S+ 0 0 128 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.864 111.1 51.8 -60.3 -35.4 7.1 -66.6 -48.2 22 25 A A H X S+ 0 0 62 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.851 108.3 52.0 -69.3 -34.0 3.9 -68.7 -47.9 23 26 A L H X S+ 0 0 77 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.936 110.9 46.9 -64.3 -45.2 4.3 -68.5 -44.1 24 27 A Y H X S+ 0 0 59 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.854 111.2 52.5 -66.0 -33.8 4.7 -64.7 -44.2 25 28 A K H X S+ 0 0 102 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.888 107.8 50.2 -68.6 -42.1 1.6 -64.4 -46.5 26 29 A S H X S+ 0 0 49 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.838 103.6 59.8 -71.5 -24.0 -0.4 -66.5 -44.1 27 30 A F H X>S+ 0 0 36 -4,-1.8 5,-2.8 2,-0.2 4,-0.5 0.916 107.0 48.4 -57.7 -47.4 0.7 -64.2 -41.2 28 31 A E H ><5S+ 0 0 133 -4,-1.6 3,-1.2 1,-0.2 -2,-0.2 0.941 110.2 50.0 -59.7 -49.5 -0.9 -61.2 -43.1 29 32 A E H 3<5S+ 0 0 116 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.792 115.1 44.4 -61.0 -27.9 -4.1 -63.1 -43.7 30 33 A E H 3<5S- 0 0 135 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.418 113.1-113.8 -99.6 2.9 -4.3 -64.0 -40.0 31 34 A S T <<5 + 0 0 114 -3,-1.2 2,-0.4 -4,-0.5 -3,-0.2 0.933 69.9 139.9 64.6 45.9 -3.4 -60.6 -38.6 32 35 A I < - 0 0 87 -5,-2.8 -1,-0.3 -8,-0.1 -2,-0.1 -0.957 33.2-170.2-120.7 135.1 -0.2 -61.8 -37.2 33 36 A I - 0 0 135 -2,-0.4 2,-0.1 -3,-0.1 -9,-0.0 -0.991 22.4-127.9-128.7 125.8 3.2 -59.9 -37.2 34 37 A P - 0 0 17 0, 0.0 3,-0.4 0, 0.0 4,-0.4 -0.411 4.0-143.3 -73.9 145.2 6.4 -61.6 -36.2 35 38 A L S >> S+ 0 0 86 1,-0.2 3,-1.8 2,-0.2 4,-1.7 0.878 93.1 68.5 -68.9 -36.8 8.7 -60.0 -33.6 36 39 A W T 34 S+ 0 0 92 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.710 100.5 45.3 -66.3 -23.6 11.9 -61.1 -35.3 37 40 A T T 34 S+ 0 0 76 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.2 0.639 124.3 36.0 -83.2 -12.0 11.5 -58.8 -38.3 38 41 A Q T X> S+ 0 0 67 -3,-1.8 4,-1.9 -4,-0.4 3,-1.3 0.515 78.7 111.1-117.5 -15.4 10.5 -55.9 -36.0 39 42 A L H 3X S+ 0 0 69 -4,-1.7 4,-2.5 1,-0.3 -3,-0.1 0.742 77.5 47.8 -48.2 -48.7 12.5 -56.1 -32.8 40 43 A G H 34 S+ 0 0 27 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.788 115.4 45.8 -69.6 -30.7 14.8 -53.1 -33.0 41 44 A D H <4 S+ 0 0 142 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.888 116.3 43.7 -76.7 -41.1 12.1 -50.7 -34.0 42 45 A L H < S+ 0 0 112 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.825 126.6 30.7 -71.8 -35.3 9.6 -51.9 -31.4 43 46 A M S < S- 0 0 118 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.645 80.9-172.3-130.8 72.6 12.2 -52.0 -28.6 44 47 A P - 0 0 54 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.204 36.3-114.5 -68.5 157.5 15.0 -49.4 -29.1 45 48 A I S S- 0 0 96 -5,-0.1 3,-0.0 1,-0.1 -5,-0.0 0.849 100.8 -7.1 -53.9 -41.0 18.2 -49.1 -26.9 46 49 A H S S- 0 0 85 0, 0.0 -1,-0.1 0, 0.0 283,-0.0 -0.925 106.2 -61.2-148.2 167.4 16.9 -45.7 -25.6 47 50 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.229 44.2-178.7 -61.6 145.8 14.0 -43.6 -26.6 48 51 A K - 0 0 126 282,-0.0 281,-0.1 -4,-0.0 280,-0.0 -0.765 17.7-156.0-142.2 85.5 13.9 -42.4 -30.3 49 52 A S - 0 0 45 279,-0.5 48,-0.0 -2,-0.3 0, 0.0 -0.264 22.8-140.3 -67.2 148.4 10.8 -40.3 -30.7 50 53 A K S S+ 0 0 173 2,-0.1 -1,-0.1 40,-0.0 41,-0.1 0.801 88.4 86.4 -69.6 -29.8 9.1 -39.6 -34.1 51 54 A A S S- 0 0 5 39,-0.1 -2,-0.1 37,-0.1 46,-0.1 -0.439 73.2-149.9 -66.6 143.9 8.7 -36.1 -32.7 52 55 A V - 0 0 61 -2,-0.1 37,-0.2 274,-0.0 273,-0.1 -0.821 26.3 -93.6-110.7 154.8 11.6 -33.8 -33.3 53 56 A P + 0 0 35 0, 0.0 2,-0.3 0, 0.0 273,-0.2 -0.417 58.0 169.5 -56.4 139.4 12.9 -30.8 -31.3 54 57 A H E -A 325 0A 65 271,-1.1 271,-2.1 -2,-0.1 2,-0.4 -0.990 26.9-149.2-158.9 152.8 11.3 -27.7 -32.8 55 58 A V E -A 324 0A 32 -2,-0.3 2,-0.4 269,-0.2 269,-0.2 -0.962 5.9-160.9-127.3 135.6 10.8 -24.0 -32.0 56 59 A W E -A 323 0A 43 267,-3.2 267,-2.5 -2,-0.4 2,-0.3 -0.984 20.8-128.5-117.6 134.1 7.9 -21.8 -32.9 57 60 A K > - 0 0 71 -2,-0.4 4,-2.4 265,-0.2 3,-0.3 -0.604 6.0-142.3 -82.6 132.6 8.3 -18.0 -32.9 58 61 A W H > S+ 0 0 11 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.868 102.1 59.4 -58.2 -37.0 5.7 -16.0 -30.9 59 62 A S H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 109.8 43.3 -59.7 -40.1 5.8 -13.3 -33.6 60 63 A T H > S+ 0 0 53 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.910 113.2 50.8 -70.6 -44.7 4.7 -15.9 -36.2 61 64 A L H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.896 111.4 49.0 -61.2 -43.3 2.1 -17.5 -33.8 62 65 A L H X S+ 0 0 16 -4,-3.1 4,-3.1 2,-0.2 5,-0.2 0.898 108.8 52.5 -59.8 -45.5 0.6 -14.0 -33.1 63 66 A R H X S+ 0 0 149 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.942 114.3 42.5 -56.5 -51.8 0.4 -13.1 -36.8 64 67 A L H X S+ 0 0 79 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.837 115.0 49.7 -65.7 -36.6 -1.5 -16.3 -37.6 65 68 A A H X S+ 0 0 2 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.922 111.7 49.0 -69.5 -43.7 -3.7 -16.0 -34.5 66 69 A R H X S+ 0 0 142 -4,-3.1 4,-1.0 2,-0.2 3,-0.2 0.923 111.0 48.9 -60.4 -46.1 -4.6 -12.4 -35.4 67 70 A K H >X S+ 0 0 106 -4,-2.4 4,-2.1 1,-0.2 3,-0.6 0.885 109.3 53.8 -63.2 -37.3 -5.5 -13.3 -39.0 68 71 A S H 3X S+ 0 0 25 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.814 103.5 56.4 -63.4 -32.2 -7.6 -16.1 -37.6 69 72 A G H 3< S+ 0 0 22 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.765 110.8 45.3 -70.0 -23.5 -9.4 -13.6 -35.4 70 73 A E H << S+ 0 0 140 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.861 124.8 28.6 -83.5 -40.5 -10.3 -11.6 -38.6 71 74 A L H < S+ 0 0 117 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.624 112.2 58.7-101.8 -18.6 -11.4 -14.6 -40.8 72 75 A V < - 0 0 74 -4,-2.2 -1,-0.1 -5,-0.2 2,-0.1 -0.949 67.7-144.1-123.3 118.3 -12.8 -17.2 -38.5 73 76 A P - 0 0 115 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.482 19.5-132.4 -73.8 147.7 -15.7 -16.7 -36.1 74 77 A V + 0 0 28 -2,-0.1 2,-0.3 -5,-0.1 38,-0.2 -0.729 52.7 92.0 -96.2 149.5 -15.5 -18.5 -32.7 75 78 A G > - 0 0 25 -2,-0.3 4,-1.7 39,-0.1 3,-0.1 -0.982 66.1 -4.2 160.4-166.5 -18.5 -20.5 -31.4 76 79 A R T 4 S+ 0 0 81 -2,-0.3 2,-1.2 2,-0.2 4,-0.0 -0.090 112.8 20.6 -53.1 145.5 -20.2 -23.9 -31.2 77 80 A G T 4 S+ 0 0 58 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 -0.619 130.3 41.9 100.3 -74.7 -18.9 -27.0 -33.0 78 81 A G T 4 S- 0 0 68 -2,-1.2 2,-2.5 1,-0.1 -1,-0.2 0.685 90.3-171.9 -69.6 -27.3 -15.3 -25.8 -33.6 79 82 A E < + 0 0 13 -4,-1.7 2,-0.4 2,-0.1 -1,-0.1 -0.164 54.5 37.9 70.9 -49.2 -15.5 -24.5 -29.9 80 83 A R - 0 0 41 -2,-2.5 2,-1.5 2,-0.1 27,-0.1 -0.993 67.9-133.5-140.5 138.0 -12.2 -22.6 -29.8 81 84 A R + 0 0 15 -2,-0.4 25,-2.0 25,-0.3 2,-0.4 -0.653 60.7 147.2 -84.5 74.1 -10.2 -20.4 -32.1 82 85 A A E -G 105 0B 30 -2,-1.5 2,-0.6 23,-0.2 23,-0.3 -0.950 40.1-154.8-118.9 135.0 -7.1 -22.4 -31.1 83 86 A L E -G 104 0B 59 21,-3.3 21,-2.2 -2,-0.4 2,-0.3 -0.945 16.4-146.4-111.3 114.5 -4.1 -23.2 -33.2 84 87 A G E -G 103 0B 28 -2,-0.6 2,-0.5 19,-0.3 19,-0.3 -0.588 16.0-121.5 -83.5 138.9 -2.2 -26.3 -32.2 85 88 A L - 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