==== 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 22-MAY-12 4FAH . COMPND 2 MOLECULE: GENTISATE 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDAMINOBACTER SALICYLATOXIDANS; . AUTHOR M.FERRARONI,F.BRIGANTI,I.MATERA . 350 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 66.6 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 . 109 31.1 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 1.4 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 . 29 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 14.0 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 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 5 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 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 15 A M 0 0 65 0, 0.0 25,-0.1 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -57.0 13.3 64.2 42.9 2 16 A Q + 0 0 182 23,-0.1 3,-0.1 2,-0.1 24,-0.1 0.395 360.0 118.5-119.8 -5.6 15.7 67.0 43.3 3 17 A P S S- 0 0 54 0, 0.0 2,-0.2 0, 0.0 6,-0.0 -0.402 83.4 -83.7 -60.8 151.2 13.5 70.2 43.6 4 18 A K - 0 0 180 1,-0.1 2,-1.9 5,-0.0 5,-0.2 -0.377 41.2-126.5 -54.7 117.3 13.9 72.0 46.9 5 19 A D + 0 0 119 -2,-0.2 -1,-0.1 4,-0.1 -3,-0.0 -0.498 55.6 147.5 -71.5 78.0 11.6 70.3 49.5 6 20 A T > - 0 0 47 -2,-1.9 4,-2.0 1,-0.0 5,-0.2 -0.640 65.1-100.6-108.7 165.4 9.7 73.5 50.6 7 21 A P H > S+ 0 0 83 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.867 123.1 53.6 -49.2 -39.8 6.1 74.1 51.7 8 22 A E H > S+ 0 0 143 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.836 107.6 51.6 -70.9 -36.2 5.2 75.4 48.2 9 23 A L H > S+ 0 0 23 -5,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.927 107.9 50.1 -58.6 -49.5 6.5 72.1 46.6 10 24 A R H X S+ 0 0 122 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.825 109.1 53.5 -67.3 -30.1 4.6 69.9 48.9 11 25 A A H X S+ 0 0 56 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.920 108.4 49.2 -65.3 -50.6 1.5 72.0 48.0 12 26 A L H X S+ 0 0 72 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.921 112.1 48.2 -47.8 -53.4 2.2 71.4 44.3 13 27 A Y H X S+ 0 0 63 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.887 110.4 52.4 -60.0 -37.8 2.6 67.6 44.9 14 28 A K H X S+ 0 0 114 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.910 109.5 48.4 -64.0 -45.7 -0.7 67.7 46.9 15 29 A S H X S+ 0 0 58 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.886 108.2 56.8 -59.2 -43.8 -2.4 69.4 44.0 16 30 A F H >X>S+ 0 0 40 -4,-2.6 5,-1.4 1,-0.2 3,-0.7 0.974 105.6 48.1 -49.9 -67.6 -0.9 66.7 41.7 17 31 A E H ><5S+ 0 0 150 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.816 112.8 51.4 -36.4 -42.2 -2.4 63.8 43.6 18 32 A E H 3<5S+ 0 0 130 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 115.2 38.8 -73.6 -40.7 -5.8 65.6 43.5 19 33 A E H <<5S- 0 0 129 -4,-2.1 -1,-0.2 -3,-0.7 -2,-0.2 0.247 113.4-115.1 -86.4 7.8 -5.8 66.2 39.7 20 34 A S T <<5 + 0 0 113 -3,-0.8 2,-0.4 -4,-0.6 -3,-0.2 0.945 65.2 146.4 43.1 60.4 -4.3 62.8 39.0 21 35 A I < - 0 0 85 -5,-1.4 -1,-0.2 -8,-0.1 -2,-0.1 -0.948 33.3-164.3-115.2 136.1 -1.0 64.2 37.6 22 36 A I - 0 0 125 -2,-0.4 2,-0.4 -6,-0.0 -9,-0.0 -0.998 17.3-139.3-118.1 124.4 2.3 62.4 38.0 23 37 A P > - 0 0 17 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.706 8.2-135.7 -87.2 134.6 5.3 64.5 37.3 24 38 A L G > S+ 0 0 133 -2,-0.4 3,-1.4 1,-0.2 0, 0.0 0.799 96.4 66.5 -51.3 -38.3 8.2 62.9 35.3 25 39 A W G 3 S+ 0 0 117 1,-0.3 -1,-0.2 -24,-0.0 -23,-0.1 0.761 99.7 48.3 -68.9 -26.2 11.0 64.3 37.6 26 40 A T G < S+ 0 0 45 -3,-1.0 2,-0.3 -25,-0.1 -1,-0.3 0.520 88.3 106.7 -84.2 -11.4 10.0 62.3 40.7 27 41 A Q < + 0 0 103 -3,-1.4 4,-0.1 -4,-0.5 -3,-0.0 -0.575 39.4 169.4 -74.2 128.9 9.8 59.1 38.6 28 42 A L + 0 0 156 -2,-0.3 -1,-0.2 2,-0.0 3,-0.2 0.790 39.1 97.1-106.7 -39.7 12.8 56.9 39.3 29 43 A G S S- 0 0 59 1,-0.2 2,-1.9 2,-0.1 -2,-0.0 0.299 92.5 -71.9 -55.5 175.8 12.0 53.5 37.6 30 44 A D + 0 0 98 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 -0.492 57.4 169.3 -80.5 80.2 13.2 52.2 34.2 31 45 A L S S+ 0 0 125 -2,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.923 74.8 10.0 -48.1 -66.0 11.1 54.4 31.9 32 46 A M S S- 0 0 154 4,-0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.876 88.0-149.0-127.9 88.3 12.7 53.7 28.5 33 47 A P - 0 0 58 0, 0.0 4,-0.0 0, 0.0 -3,-0.0 -0.221 21.1-118.5 -63.5 154.0 15.1 50.7 29.1 34 48 A I S S- 0 0 154 1,-0.1 3,-0.0 2,-0.0 0, 0.0 0.861 97.8 -9.5 -60.1 -40.2 18.3 50.3 27.0 35 49 A H S S- 0 0 84 0, 0.0 -1,-0.1 0, 0.0 281,-0.0 -0.889 106.2 -59.6-145.2 173.4 16.9 47.0 25.6 36 50 A P - 0 0 48 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.327 45.0-176.2 -61.1 139.1 13.9 45.0 26.7 37 51 A K - 0 0 127 280,-0.0 279,-0.1 -4,-0.0 278,-0.0 -0.723 18.2-156.2-134.0 82.4 13.9 43.8 30.3 38 52 A S - 0 0 43 277,-0.6 48,-0.0 -2,-0.3 0, 0.0 -0.129 24.5-140.8 -63.1 150.4 10.9 41.7 30.7 39 53 A K S S+ 0 0 176 2,-0.1 -1,-0.1 40,-0.0 41,-0.1 0.792 88.8 85.8 -73.3 -31.6 9.1 41.0 34.0 40 54 A A S S- 0 0 5 39,-0.1 46,-0.1 37,-0.1 45,-0.1 -0.387 72.4-153.9 -65.4 150.3 8.7 37.4 32.6 41 55 A V - 0 0 66 -2,-0.1 37,-0.1 272,-0.0 271,-0.1 -0.878 26.4 -89.9-128.6 150.8 11.7 35.2 33.2 42 56 A P + 0 0 30 0, 0.0 2,-0.3 0, 0.0 271,-0.2 -0.394 56.6 170.8 -60.1 145.2 13.1 32.2 31.4 43 57 A H E -A 312 0A 64 269,-1.1 269,-2.2 33,-0.0 2,-0.4 -0.989 26.0-149.9-157.8 150.7 11.5 29.0 32.8 44 58 A V E -A 311 0A 32 -2,-0.3 2,-0.5 267,-0.2 267,-0.2 -0.992 5.4-159.6-126.3 131.4 11.2 25.3 32.0 45 59 A W E -A 310 0A 42 265,-2.9 265,-2.4 -2,-0.4 2,-0.5 -0.953 19.2-134.0-104.8 127.6 8.3 22.9 32.9 46 60 A K > - 0 0 70 -2,-0.5 4,-2.5 263,-0.2 3,-0.2 -0.696 1.6-148.7 -80.8 125.3 9.0 19.2 33.0 47 61 A W H > S+ 0 0 31 -2,-0.5 4,-3.0 259,-0.3 5,-0.4 0.858 97.3 62.1 -54.0 -42.4 6.5 16.9 31.2 48 62 A S H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.930 112.6 39.7 -55.9 -42.2 7.1 14.1 33.7 49 63 A T H > S+ 0 0 58 -3,-0.2 4,-2.8 2,-0.2 5,-0.3 0.956 116.2 47.8 -63.7 -56.3 5.7 16.5 36.3 50 64 A L H X S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.873 113.1 49.2 -56.5 -44.5 2.9 18.1 34.2 51 65 A L H X S+ 0 0 25 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.924 111.1 50.6 -60.5 -47.6 1.7 14.7 33.1 52 66 A R H X S+ 0 0 153 -4,-1.5 4,-2.1 -5,-0.4 -2,-0.2 0.969 114.4 42.0 -56.4 -55.3 1.7 13.5 36.7 53 67 A L H X S+ 0 0 83 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.785 114.5 54.3 -62.4 -28.7 -0.3 16.5 37.9 54 68 A A H X S+ 0 0 1 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.885 107.8 47.4 -70.5 -41.1 -2.6 16.2 34.8 55 69 A R H X S+ 0 0 121 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.916 113.6 48.1 -69.4 -42.9 -3.5 12.6 35.4 56 70 A K H >X S+ 0 0 98 -4,-2.1 4,-2.7 1,-0.2 3,-0.6 0.864 105.2 58.3 -61.4 -43.4 -4.2 13.3 39.1 57 71 A S H 3X S+ 0 0 27 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.874 101.8 58.5 -54.1 -34.1 -6.3 16.3 38.1 58 72 A G H 3< S+ 0 0 30 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.840 111.1 39.2 -61.6 -38.6 -8.3 13.7 36.1 59 73 A E H << S+ 0 0 128 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.884 121.5 42.5 -78.1 -44.3 -9.1 11.6 39.3 60 74 A L H < S+ 0 0 118 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.660 111.6 50.9 -85.3 -18.2 -9.7 14.6 41.6 61 75 A V < + 0 0 40 -4,-2.0 -1,-0.2 -5,-0.3 2,-0.2 -0.810 67.4 177.6-127.9 97.8 -11.7 16.9 39.3 62 76 A P > > - 0 0 65 0, 0.0 3,-2.5 0, 0.0 5,-1.9 -0.517 44.5 -76.6 -90.6 164.8 -14.8 15.5 37.6 63 77 A V T 3 5S+ 0 0 85 4,-0.3 37,-0.0 1,-0.3 0, 0.0 -0.337 122.4 37.9 -48.9 129.2 -17.4 17.1 35.3 64 78 A G T 3 5S+ 0 0 63 -3,-0.1 -1,-0.3 -2,-0.0 -3,-0.0 0.033 117.3 54.4 105.4 -24.7 -19.7 19.0 37.6 65 79 A R T < 5S- 0 0 209 -3,-2.5 -2,-0.1 0, 0.0 0, 0.0 -0.245 136.5 -54.4-140.0 52.8 -16.9 20.2 39.9 66 80 A G T > 5S+ 0 0 37 -5,-0.1 3,-2.7 4,-0.0 -3,-0.2 0.007 100.4 115.9 107.3 -22.6 -14.3 21.8 37.7 67 81 A G G > < + 0 0 3 -5,-1.9 3,-1.3 1,-0.3 -4,-0.3 0.716 69.9 66.9 -47.8 -31.1 -13.6 19.1 35.1 68 82 A E G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -6,-0.3 -5,-0.1 0.756 109.7 36.6 -58.7 -31.8 -15.0 21.4 32.4 69 83 A R G < S+ 0 0 221 -3,-2.7 2,-2.3 2,-0.0 -1,-0.3 -0.308 76.5 153.0-114.1 44.3 -12.0 23.6 32.9 70 84 A R < + 0 0 8 -3,-1.3 25,-2.5 25,-0.1 2,-0.4 -0.463 29.4 136.0 -78.8 79.7 -9.5 20.8 33.6 71 85 A H E -G 94 0B 46 -2,-2.3 2,-1.0 23,-0.2 23,-0.2 -0.991 51.1-146.4-139.9 119.3 -6.7 22.9 32.4 72 86 A L E -G 93 0B 34 21,-3.0 21,-2.2 -2,-0.4 2,-0.2 -0.784 23.1-151.6 -91.3 98.1 -3.1 23.3 33.9 73 87 A G E -G 92 0B 37 -2,-1.0 2,-0.8 19,-0.2 19,-0.2 -0.517 9.2-133.4 -73.3 135.3 -2.1 26.9 33.2 74 88 A L - 0 0 2 17,-2.5 2,-0.5 -2,-0.2 17,-0.4 -0.795 25.8-163.0 -89.2 109.8 1.7 27.6 32.9 75 89 A A - 0 0 44 -2,-0.8 10,-0.3 8,-0.1 8,-0.2 -0.835 17.3-129.7-101.0 124.8 2.4 30.7 35.0 76 90 A N > - 0 0 4 8,-2.7 3,-1.7 -2,-0.5 5,-0.5 -0.514 15.9-136.6 -66.7 129.1 5.6 32.7 34.5 77 91 A P T 3 S+ 0 0 81 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.820 103.4 56.5 -55.2 -28.7 7.2 33.2 38.0 78 92 A G T 3 S+ 0 0 30 1,-0.2 2,-0.1 -37,-0.1 -38,-0.1 0.553 85.8 81.9 -81.0 -6.1 7.9 36.8 37.1 79 93 A L S X S- 0 0 20 -3,-1.7 3,-2.2 3,-0.2 -1,-0.2 -0.139 101.2-107.3-105.7 38.3 4.2 37.8 36.2 80 94 A G T 3 S- 0 0 81 -3,-0.4 -2,-0.1 1,-0.3 -1,-0.1 0.637 79.2 -47.4 63.0 23.7 2.8 38.6 39.7 81 95 A G T 3 S+ 0 0 79 -5,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.431 97.9 139.1 95.3 -0.3 0.6 35.5 40.1 82 96 A N < - 0 0 76 -3,-2.2 2,-1.7 -6,-0.2 -1,-0.3 -0.554 62.9-122.3 -72.5 143.9 -1.1 35.6 36.6 83 97 A A S S+ 0 0 35 -2,-0.2 2,-0.5 -8,-0.2 8,-0.3 -0.196 73.6 124.2 -77.0 46.0 -1.7 32.4 34.7 84 98 A Y - 0 0 22 -2,-1.7 -8,-2.7 -8,-0.2 6,-0.2 -0.952 51.9-160.4-117.1 124.2 0.4 33.8 31.8 85 99 A I S S- 0 0 0 4,-0.7 5,-0.2 -2,-0.5 -1,-0.1 0.801 85.2 -0.7 -67.9 -34.9 3.5 32.1 30.4 86 100 A S S S- 0 0 0 3,-1.4 -10,-0.1 -46,-0.1 3,-0.1 -0.839 89.6 -91.7-138.9 175.9 4.8 35.4 28.8 87 101 A P S S+ 0 0 40 0, 0.0 82,-0.2 0, 0.0 3,-0.1 0.639 125.4 32.4 -65.7 -16.2 3.3 39.0 28.8 88 102 A T S S+ 0 0 17 77,-0.2 78,-1.5 1,-0.1 2,-0.3 0.649 112.9 58.2-111.3 -17.2 1.6 38.2 25.5 89 103 A M - 0 0 1 76,-0.2 -3,-1.4 75,-0.1 -4,-0.7 -0.851 52.5-153.5-131.5 152.3 0.6 34.5 25.6 90 104 A W E + H 0 162B 55 72,-2.7 72,-2.4 -2,-0.3 2,-0.4 -0.960 18.6 179.2-121.0 129.5 -1.3 32.0 27.5 91 105 A A E + H 0 161B 0 -2,-0.4 -17,-2.5 -17,-0.4 2,-0.3 -0.997 8.4 163.3-136.2 134.9 -0.2 28.3 27.4 92 106 A G E -GH 73 160B 0 68,-1.4 68,-3.0 -2,-0.4 2,-0.7 -0.983 39.8-117.8-146.7 153.2 -1.9 25.5 29.2 93 107 A I E -GH 72 159B 0 -21,-2.2 -21,-3.0 -2,-0.3 2,-0.6 -0.891 28.2-156.7 -91.9 113.8 -2.1 21.7 29.3 94 108 A Q E -GH 71 158B 23 64,-2.7 64,-1.9 -2,-0.7 2,-0.8 -0.830 3.9-161.3 -89.7 121.2 -5.8 20.7 28.6 95 109 A Y E - H 0 157B 16 -25,-2.5 2,-0.5 -2,-0.6 62,-0.2 -0.869 8.2-166.2-108.9 97.8 -6.4 17.2 30.1 96 110 A L E - H 0 156B 5 60,-2.6 60,-2.4 -2,-0.8 3,-0.1 -0.738 8.8-147.8 -91.2 123.5 -9.6 15.9 28.4 97 111 A G > - 0 0 4 -2,-0.5 3,-1.6 58,-0.2 57,-0.1 -0.269 38.4 -54.3 -84.2 173.2 -11.1 12.8 30.0 98 112 A P T 3 S- 0 0 68 0, 0.0 55,-0.2 0, 0.0 -1,-0.2 -0.189 118.0 -10.9 -40.7 124.2 -13.1 9.8 28.6 99 113 A R T 3 S+ 0 0 137 53,-2.4 2,-0.2 55,-0.3 54,-0.1 0.529 95.0 157.3 61.2 17.0 -16.1 10.8 26.5 100 114 A E < - 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