==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-JUL-10 3NST . COMPND 2 MOLECULE: GENTISATE 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDAMINOBACTER SALICYLATOXIDANS; . AUTHOR M.FERRARONI,F.BRIGANTI,I.MATERA . 349 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 63.9 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 . 106 30.4 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 . 21 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 14.3 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 1 0 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 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 . 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 15 A M 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.8 19.2 63.7 41.3 2 16 A Q - 0 0 114 1,-0.2 3,-0.1 24,-0.0 24,-0.1 -0.561 360.0 -79.8-100.7 166.9 15.6 64.5 42.3 3 17 A P - 0 0 53 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.224 65.5 -77.2 -63.3 159.5 13.9 67.9 43.0 4 18 A K - 0 0 186 1,-0.1 2,-1.4 5,-0.0 5,-0.2 -0.386 45.4-121.2 -61.2 132.0 14.5 69.5 46.4 5 19 A D + 0 0 120 -3,-0.1 -1,-0.1 4,-0.1 -3,-0.0 -0.572 57.1 150.1 -81.7 91.5 12.2 67.7 49.1 6 20 A T > - 0 0 48 -2,-1.4 4,-1.7 1,-0.0 5,-0.2 -0.505 64.6-104.2-121.3 161.7 10.3 70.7 50.2 7 21 A P H > S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.915 124.9 51.7 -63.3 -30.8 6.8 71.3 51.6 8 22 A E H > S+ 0 0 138 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.841 107.9 51.0 -67.3 -34.6 5.9 72.7 48.2 9 23 A L H > S+ 0 0 22 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.850 111.3 48.6 -71.1 -30.6 7.3 69.6 46.4 10 24 A R H X S+ 0 0 125 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.844 110.4 49.8 -79.8 -37.8 5.2 67.4 48.7 11 25 A A H X S+ 0 0 58 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.943 109.8 52.9 -60.6 -50.5 2.1 69.5 48.1 12 26 A L H X S+ 0 0 77 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.900 111.3 46.9 -47.0 -44.3 2.8 69.1 44.3 13 27 A Y H X S+ 0 0 64 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.824 109.0 52.1 -76.8 -32.4 3.0 65.4 44.7 14 28 A K H X S+ 0 0 133 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.879 108.8 51.4 -70.3 -33.6 -0.1 65.1 46.8 15 29 A S H X S+ 0 0 59 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.929 107.7 55.1 -63.0 -43.6 -1.9 67.1 44.0 16 30 A F H <>S+ 0 0 37 -4,-2.4 5,-2.3 1,-0.2 4,-0.4 0.899 107.9 46.6 -49.3 -54.8 -0.5 64.5 41.5 17 31 A E H ><5S+ 0 0 153 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.901 113.8 49.9 -57.8 -41.8 -2.0 61.6 43.4 18 32 A E H 3<5S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.811 116.0 40.2 -67.8 -32.6 -5.3 63.4 43.7 19 33 A E T 3<5S- 0 0 135 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.189 112.8-111.4-102.0 9.7 -5.4 64.2 40.0 20 34 A S T < 5 + 0 0 114 -3,-1.0 2,-0.4 -4,-0.4 -3,-0.2 0.940 68.4 143.4 51.7 54.0 -4.1 60.8 38.6 21 35 A I < - 0 0 83 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.1 -0.975 32.3-170.7-116.3 133.4 -0.8 62.2 37.4 22 36 A I - 0 0 128 -2,-0.4 2,-0.2 -5,-0.0 5,-0.0 -0.971 23.2-134.4-123.1 115.2 2.5 60.3 37.6 23 37 A P > - 0 0 17 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.444 7.5-133.9 -73.6 137.4 5.5 62.5 36.7 24 38 A L G > S+ 0 0 139 1,-0.3 3,-1.7 2,-0.2 0, 0.0 0.811 98.5 67.4 -57.5 -32.3 8.1 61.0 34.4 25 39 A W G 3 S+ 0 0 119 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.388 97.8 52.6 -77.5 5.6 11.1 62.1 36.5 26 40 A T G < S+ 0 0 52 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.435 87.6 111.2-116.4 -15.9 10.1 59.7 39.3 27 41 A Q S < S- 0 0 82 -3,-1.7 2,-0.4 -4,-0.4 -3,-0.0 -0.310 74.2-110.5 -70.2 146.6 9.9 56.7 37.0 28 42 A L > - 0 0 146 1,-0.1 3,-1.3 2,-0.1 4,-0.2 -0.675 31.8-113.0 -81.5 125.4 12.4 53.8 37.2 29 43 A G G > S+ 0 0 66 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.666 107.7 71.2 -21.7 -47.1 14.8 53.6 34.1 30 44 A D G 3 + 0 0 96 1,-0.3 -1,-0.3 3,-0.1 7,-0.1 0.195 64.5 92.2 -78.5 22.5 13.3 50.3 32.9 31 45 A L G < S+ 0 0 114 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.804 110.5 22.7 -67.3 -32.4 10.0 51.9 31.8 32 46 A M S < S- 0 0 165 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.1 -0.750 99.5-162.2-129.7 77.7 12.1 52.1 28.5 33 47 A P - 0 0 57 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.197 29.2-117.0 -68.6 162.6 14.8 49.4 29.0 34 48 A I S S- 0 0 152 1,-0.1 -4,-0.0 2,-0.0 3,-0.0 0.760 99.4 -8.5 -63.2 -34.1 18.0 49.1 27.0 35 49 A H S S- 0 0 85 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.907 105.8 -61.0-153.4 170.2 16.8 45.7 25.6 36 50 A P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.404 47.6-178.7 -64.5 131.9 13.8 43.6 26.5 37 51 A K - 0 0 117 -7,-0.1 278,-0.1 -2,-0.1 277,-0.0 -0.802 17.5-154.2-128.8 90.8 14.0 42.4 30.1 38 52 A S - 0 0 46 276,-0.5 48,-0.0 -2,-0.4 0, 0.0 -0.170 23.8-143.9 -66.6 150.0 10.9 40.2 30.7 39 53 A K S S+ 0 0 171 2,-0.1 2,-0.2 40,-0.0 41,-0.1 0.733 89.0 84.9 -72.6 -29.7 9.2 39.6 34.0 40 54 A A S S- 0 0 4 39,-0.1 -2,-0.1 37,-0.1 46,-0.1 -0.500 74.7-151.9 -67.0 144.2 8.7 36.1 32.6 41 55 A V - 0 0 62 -2,-0.2 37,-0.2 271,-0.0 270,-0.1 -0.857 26.4 -90.7-116.4 155.1 11.7 33.9 33.2 42 56 A P + 0 0 35 0, 0.0 2,-0.3 0, 0.0 270,-0.2 -0.379 57.4 172.6 -54.1 137.9 13.1 31.0 31.2 43 57 A H E -A 311 0A 64 268,-1.2 268,-1.9 33,-0.0 2,-0.4 -0.989 25.6-151.1-155.1 144.5 11.5 27.8 32.7 44 58 A V E -A 310 0A 30 -2,-0.3 2,-0.5 266,-0.2 266,-0.2 -0.971 6.0-160.0-115.2 136.0 11.2 24.0 32.0 45 59 A W E -A 309 0A 41 264,-3.2 264,-2.0 -2,-0.4 2,-0.3 -0.980 20.2-132.3-110.4 130.3 8.3 21.7 32.9 46 60 A K > - 0 0 69 -2,-0.5 4,-2.8 262,-0.2 3,-0.2 -0.601 5.1-141.8 -82.2 135.4 9.1 18.0 33.0 47 61 A W H > S+ 0 0 24 -2,-0.3 4,-4.4 1,-0.2 5,-0.3 0.867 100.7 59.3 -63.2 -35.3 6.6 15.8 31.2 48 62 A S H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.868 110.7 42.8 -68.7 -36.8 6.8 13.1 33.9 49 63 A T H > S+ 0 0 60 -3,-0.2 4,-2.4 2,-0.2 5,-0.3 0.924 116.4 47.9 -66.2 -49.7 5.6 15.7 36.5 50 64 A L H X S+ 0 0 10 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.927 113.2 46.5 -62.7 -44.6 3.0 17.1 34.1 51 65 A L H X S+ 0 0 34 -4,-4.4 4,-2.8 2,-0.2 5,-0.2 0.930 112.5 50.4 -65.2 -40.6 1.6 13.6 33.1 52 66 A R H X S+ 0 0 153 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.911 113.3 45.4 -62.6 -42.7 1.4 12.4 36.7 53 67 A L H X S+ 0 0 78 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.807 112.4 52.8 -68.9 -33.3 -0.4 15.6 37.8 54 68 A A H X S+ 0 0 1 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.917 108.0 49.4 -66.2 -46.4 -2.7 15.3 34.8 55 69 A R H X S+ 0 0 148 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.917 111.3 50.1 -57.8 -43.4 -3.6 11.6 35.7 56 70 A K H >X S+ 0 0 99 -4,-2.0 4,-2.9 1,-0.3 3,-0.8 0.950 106.9 53.7 -65.6 -42.8 -4.4 12.7 39.3 57 71 A S H 3X S+ 0 0 29 -4,-2.1 4,-1.6 1,-0.2 -1,-0.3 0.819 103.5 59.2 -56.4 -33.5 -6.6 15.5 38.0 58 72 A G H 3< S+ 0 0 26 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.872 112.2 38.7 -60.1 -39.0 -8.4 12.8 36.0 59 73 A E H << S+ 0 0 126 -4,-1.4 -2,-0.2 -3,-0.8 -1,-0.2 0.914 123.3 38.1 -77.2 -46.3 -9.2 11.0 39.2 60 74 A L H < S+ 0 0 121 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.642 113.3 53.5 -84.9 -15.1 -10.0 13.9 41.5 61 75 A V < + 0 0 45 -4,-1.6 -1,-0.2 -5,-0.3 5,-0.1 -0.784 69.1 176.7-132.0 84.3 -11.8 16.2 39.0 62 76 A P > > - 0 0 62 0, 0.0 5,-2.6 0, 0.0 3,-1.8 -0.348 44.6 -77.7 -85.5 168.2 -14.7 14.6 37.3 63 77 A V T 3 5S+ 0 0 77 4,-0.3 37,-0.0 1,-0.2 0, 0.0 -0.414 122.4 34.6 -62.2 139.6 -17.2 16.1 34.8 64 78 A G T 3 5S+ 0 0 65 -2,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.027 116.1 60.2 96.5 -23.5 -19.8 18.2 36.8 65 79 A R T < 5S- 0 0 218 -3,-1.8 -2,-0.1 0, 0.0 0, 0.0 -0.195 139.8 -58.0-128.4 35.2 -17.0 19.2 39.4 66 80 A G T > 5S+ 0 0 23 -5,-0.1 3,-1.8 4,-0.0 -3,-0.2 0.166 103.7 118.2 106.0 -14.6 -14.5 21.0 37.1 67 81 A G G > < + 0 0 3 -5,-2.6 3,-1.1 1,-0.3 -4,-0.3 0.725 66.2 65.5 -53.3 -32.5 -13.9 18.1 34.7 68 82 A E G 3 S+ 0 0 92 -6,-0.3 -1,-0.3 1,-0.3 -5,-0.1 0.759 110.3 41.0 -56.8 -30.9 -15.2 20.1 31.6 69 83 A R G < S+ 0 0 202 -3,-1.8 2,-1.9 25,-0.0 -1,-0.3 -0.281 74.4 150.4-113.8 45.3 -12.1 22.4 32.2 70 84 A R < + 0 0 7 -3,-1.1 25,-2.7 25,-0.2 2,-0.4 -0.536 25.8 127.9 -86.3 80.4 -9.4 19.8 33.0 71 85 A A E -G 94 0B 30 -2,-1.9 2,-0.9 23,-0.2 23,-0.3 -0.998 51.5-142.2-137.9 129.1 -6.4 21.7 31.7 72 86 A L E -G 93 0B 39 21,-2.7 21,-1.9 -2,-0.4 2,-0.3 -0.787 21.0-147.1 -97.3 103.5 -3.1 22.4 33.7 73 87 A G E -G 92 0B 33 -2,-0.9 2,-0.8 19,-0.3 19,-0.3 -0.535 12.3-128.6 -71.0 130.9 -1.9 25.9 32.8 74 88 A L - 0 0 2 17,-3.0 2,-0.7 -2,-0.3 17,-0.3 -0.733 28.4-158.0 -76.1 107.3 1.9 26.3 32.7 75 89 A A - 0 0 45 -2,-0.8 10,-0.2 8,-0.1 8,-0.1 -0.814 13.2-130.3 -97.7 115.6 2.4 29.4 34.9 76 90 A N > - 0 0 4 8,-2.6 3,-1.9 -2,-0.7 5,-0.4 -0.327 14.4-136.2 -58.9 129.0 5.6 31.3 34.4 77 91 A P T 3 S+ 0 0 81 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.812 102.2 53.4 -65.7 -23.7 7.1 31.9 37.8 78 92 A G T 3 S+ 0 0 28 1,-0.2 -2,-0.1 -37,-0.2 -38,-0.0 0.468 88.2 82.3 -82.7 0.5 7.9 35.5 37.0 79 93 A L S X S- 0 0 19 -3,-1.9 3,-1.7 5,-0.2 -1,-0.2 0.028 100.9-111.2-104.6 28.5 4.3 36.5 35.9 80 94 A G T 3 S- 0 0 74 -3,-0.5 3,-0.1 1,-0.3 -2,-0.1 0.651 74.1 -46.8 73.6 26.4 2.8 37.1 39.4 81 95 A G T 3 S+ 0 0 81 -5,-0.4 -1,-0.3 1,-0.3 2,-0.3 0.394 99.5 138.5 90.4 -5.3 0.4 34.3 39.8 82 96 A N < - 0 0 73 -3,-1.7 2,-2.2 -6,-0.2 -1,-0.3 -0.574 63.8-123.7 -73.0 135.5 -1.1 34.8 36.3 83 97 A A S S+ 0 0 42 -2,-0.3 2,-0.5 -8,-0.1 8,-0.2 -0.209 71.0 127.2 -72.9 51.6 -1.8 31.5 34.5 84 98 A Y - 0 0 13 -2,-2.2 -8,-2.6 -8,-0.2 6,-0.2 -0.936 52.6-160.9-111.1 125.7 0.5 32.7 31.6 85 99 A I S S- 0 0 0 4,-1.2 5,-0.2 -2,-0.5 -1,-0.1 0.880 89.2 -7.1 -65.4 -33.7 3.5 30.8 30.2 86 100 A S S S- 0 0 0 3,-1.7 -1,-0.1 -3,-0.1 -10,-0.1 -0.879 88.0 -87.7-147.1 178.2 4.6 34.2 28.8 87 101 A P S S+ 0 0 42 0, 0.0 82,-0.2 0, 0.0 3,-0.0 0.779 127.6 28.4 -68.4 -18.2 3.2 37.7 28.5 88 102 A T S S+ 0 0 15 77,-0.1 78,-1.7 1,-0.1 2,-0.4 0.717 113.9 63.3-106.0 -28.6 1.5 36.8 25.3 89 103 A M - 0 0 1 76,-0.2 -3,-1.7 75,-0.1 -4,-1.2 -0.828 50.6-159.7-118.8 140.4 0.8 33.1 25.4 90 104 A W E - H 0 162B 48 72,-3.0 72,-2.6 -2,-0.4 2,-0.4 -0.940 17.7-179.4-105.6 133.4 -1.3 30.6 27.4 91 105 A A E + H 0 161B 1 -2,-0.5 -17,-3.0 -17,-0.3 2,-0.3 -0.984 7.2 168.8-137.4 125.2 -0.1 26.9 27.2 92 106 A A E -GH 73 160B 0 68,-2.2 68,-3.6 -2,-0.4 2,-0.8 -0.948 36.5-123.8-137.1 151.4 -2.0 24.2 29.1 93 107 A I E -GH 72 159B 1 -21,-1.9 -21,-2.7 -2,-0.3 2,-0.5 -0.889 30.0-156.8 -93.3 108.1 -2.0 20.4 29.2 94 108 A Q E -GH 71 158B 19 64,-2.6 64,-1.9 -2,-0.8 2,-0.6 -0.757 3.6-161.0 -85.7 130.9 -5.6 19.4 28.5 95 109 A Y E - H 0 157B 28 -25,-2.7 2,-0.6 -2,-0.5 62,-0.2 -0.947 3.9-165.4-118.8 108.6 -6.5 15.9 29.9 96 110 A L E - H 0 156B 4 60,-2.7 60,-2.1 -2,-0.6 3,-0.1 -0.856 12.8-143.5-103.4 119.3 -9.5 14.5 28.3 97 111 A G > - 0 0 4 -2,-0.6 3,-2.2 58,-0.2 53,-0.1 -0.239 41.4 -59.0 -76.9 167.5 -11.0 11.4 30.2 98 112 A P T 3 S- 0 0 68 0, 0.0 55,-0.2 0, 0.0 -1,-0.2 -0.196 119.7 -9.3 -47.2 122.2 -12.7 8.3 28.7 99 113 A R T 3 S+ 0 0 129 53,-2.0 54,-0.1 55,-0.4 -2,-0.1 0.556 93.9 156.3 69.7 10.5 -15.7 9.3 26.6 100 114 A E < - 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