==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JAN-05 1YFX . COMPND 2 MOLECULE: 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CUPRIAVIDUS METALLIDURANS; . AUTHOR Y.ZHANG,K.L.COLABROY,T.P.BEGLEY,S.E.EALICK . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 62.1 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 . 51 29.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 0 0.0 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 . 18 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 1 1 0 0 0 0 0 0 0 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 . 2 0 2 2 1 3 0 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 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 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 1 A M 0 0 214 0, 0.0 2,-2.0 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 166.5 24.7 41.6 25.4 2 2 A L > - 0 0 127 1,-0.2 3,-2.8 2,-0.1 4,-0.0 -0.552 360.0-178.5 -81.6 77.2 21.3 41.0 23.6 3 3 A T T 3 S+ 0 0 108 -2,-2.0 -1,-0.2 1,-0.3 3,-0.1 0.754 80.8 46.3 -46.9 -31.4 22.9 39.8 20.3 4 4 A Y T 3 S- 0 0 112 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.225 114.4-115.5-101.5 13.8 19.4 39.4 18.9 5 5 A G < - 0 0 46 -3,-2.8 -1,-0.3 26,-0.0 3,-0.1 -0.190 43.0 -48.7 84.0-177.7 17.9 42.7 20.1 6 6 A A S S- 0 0 64 1,-0.2 0, 0.0 -3,-0.1 0, 0.0 -0.346 70.2 -77.0 -88.6 171.3 15.1 43.5 22.5 7 7 A P - 0 0 130 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.284 53.3-175.0 -65.1 157.3 11.6 41.9 22.6 8 8 A F - 0 0 88 -3,-0.1 2,-0.3 0, 0.0 5,-0.0 -0.992 34.8 -85.7-153.6 154.8 9.2 43.2 20.0 9 9 A N > - 0 0 102 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 -0.453 34.8-162.6 -65.4 123.7 5.5 42.8 19.1 10 10 A F H > S+ 0 0 51 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.886 84.3 53.9 -77.3 -42.5 5.1 39.8 16.8 11 11 A P H > S+ 0 0 65 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.934 112.4 47.7 -57.7 -43.3 1.7 40.4 15.3 12 12 A R H > S+ 0 0 154 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.905 109.0 52.5 -63.2 -44.4 3.0 43.8 14.2 13 13 A W H X S+ 0 0 31 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.914 110.5 49.1 -58.2 -43.3 6.2 42.4 12.8 14 14 A I H X S+ 0 0 7 -4,-2.5 4,-0.8 1,-0.2 3,-0.5 0.927 108.4 52.7 -63.8 -44.0 4.2 40.0 10.7 15 15 A D H < S+ 0 0 100 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.899 111.5 48.1 -57.2 -41.0 1.9 42.8 9.5 16 16 A E H < S+ 0 0 101 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.721 118.0 37.3 -75.0 -23.0 4.9 44.7 8.3 17 17 A H H >X S+ 0 0 35 -4,-1.4 3,-1.9 -3,-0.5 4,-0.6 0.299 83.3 107.7-110.3 8.5 6.7 41.8 6.5 18 18 A A G >< S+ 0 0 45 -4,-0.8 3,-1.8 -3,-0.5 -2,-0.1 0.924 77.7 53.8 -49.4 -51.3 3.5 40.3 5.1 19 19 A H G 34 S+ 0 0 133 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.642 101.1 62.7 -61.5 -14.3 4.4 41.5 1.6 20 20 A L G <4 S+ 0 0 66 -3,-1.9 2,-1.0 1,-0.1 -1,-0.3 0.625 77.6 94.6 -86.9 -14.1 7.8 39.8 1.9 21 21 A L << + 0 0 21 -3,-1.8 7,-0.1 -4,-0.6 22,-0.1 -0.685 58.2 157.1 -82.0 102.7 6.4 36.3 2.3 22 22 A K > - 0 0 140 -2,-1.0 4,-2.3 5,-0.4 5,-0.4 -0.895 27.2 -49.5-130.7 159.3 6.5 34.9 -1.3 23 23 A P T 4 S+ 0 0 70 0, 0.0 2,-0.1 0, 0.0 22,-0.1 -0.115 97.7 31.2 -62.0 162.4 6.5 31.5 -3.2 24 24 A P T 4 S+ 0 0 38 0, 0.0 22,-2.8 0, 0.0 0, 0.0 -0.873 139.5 7.9 -76.4 -33.6 7.7 28.9 -3.5 25 25 A V T 4 S- 0 0 8 20,-0.2 20,-0.1 -3,-0.2 3,-0.1 0.887 77.1-144.0 -73.8 -41.9 8.6 28.7 0.3 26 26 A G < + 0 0 2 -4,-2.3 16,-2.1 1,-0.2 2,-0.1 0.675 46.6 164.2 81.0 19.3 6.8 31.8 1.7 27 27 A N E +A 41 0A 22 -5,-0.4 -5,-0.4 14,-0.2 2,-0.2 -0.325 26.4 165.9 -77.6 149.0 9.7 32.0 4.0 28 28 A R E -A 40 0A 89 12,-0.5 12,-2.6 -7,-0.1 2,-0.4 -0.805 23.4-145.1-163.0 115.9 11.0 34.8 6.3 29 29 A Q E -A 39 0A 26 -2,-0.2 10,-0.3 10,-0.2 3,-0.1 -0.703 3.1-156.8 -87.4 132.7 13.6 34.4 9.1 30 30 A V S S+ 0 0 21 8,-3.4 2,-0.4 -2,-0.4 -1,-0.1 0.934 76.1 22.9 -74.4 -49.9 13.2 36.6 12.2 31 31 A W S S- 0 0 89 7,-0.5 3,-0.3 5,-0.1 7,-0.3 -0.930 77.4-131.7-121.0 146.5 16.7 36.6 13.6 32 32 A Q S S+ 0 0 122 -2,-0.4 5,-0.0 1,-0.2 -2,-0.0 -0.685 77.1 7.8 -99.1 151.6 20.0 36.0 11.7 33 33 A D S S+ 0 0 140 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.886 88.5 136.2 49.5 54.8 22.8 33.7 12.7 34 34 A S - 0 0 10 -3,-0.3 -1,-0.2 2,-0.1 -3,-0.0 -0.864 64.1-124.5-125.2 158.3 21.2 32.1 15.7 35 35 A D S S+ 0 0 90 -2,-0.3 77,-1.8 76,-0.1 2,-0.6 0.912 103.2 63.1 -69.1 -40.5 21.1 28.4 16.8 36 36 A F E S- B 0 111A 129 75,-0.2 2,-1.0 -3,-0.1 75,-0.2 -0.757 82.1-147.5 -85.2 122.1 17.3 28.5 16.8 37 37 A I E - B 0 110A 9 73,-2.6 73,-2.2 -2,-0.6 2,-0.6 -0.829 18.7-169.3 -92.6 104.2 16.1 29.2 13.2 38 38 A V E + B 0 109A 14 -2,-1.0 -8,-3.4 -7,-0.3 -7,-0.5 -0.871 13.5 166.2-101.4 118.5 12.9 31.2 13.8 39 39 A T E -AB 29 108A 1 69,-2.6 69,-3.1 -2,-0.6 2,-0.4 -0.908 31.9-146.4-133.3 158.2 10.7 31.8 10.7 40 40 A V E -AB 28 107A 0 -12,-2.6 -12,-0.5 -2,-0.3 2,-0.4 -0.984 20.6-164.1-120.1 131.5 7.3 32.9 9.7 41 41 A V E +AB 27 106A 8 65,-2.1 65,-2.0 -2,-0.4 -14,-0.2 -0.982 10.5 176.2-122.6 129.0 5.8 31.2 6.6 42 42 A G - 0 0 1 -16,-2.1 63,-0.2 -2,-0.4 60,-0.1 -0.354 20.0 -42.2-114.3-164.8 2.9 32.5 4.7 43 43 A G S S+ 0 0 15 61,-0.4 60,-0.7 58,-0.3 61,-0.2 -0.856 86.9 28.9-140.1 175.1 1.0 31.6 1.6 44 44 A P S S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.412 73.3 171.5 -79.3 133.5 0.2 30.8 -1.1 45 45 A N - 0 0 20 54,-2.2 2,-0.3 -20,-0.1 -20,-0.2 -0.376 28.9-137.2 -98.3-178.9 3.3 28.7 -1.3 46 46 A H + 0 0 71 -22,-2.8 2,-0.4 -2,-0.1 52,-0.1 -0.753 34.5 155.1-144.5 93.8 4.3 26.1 -3.9 47 47 A R + 0 0 19 -2,-0.3 49,-0.1 50,-0.2 -2,-0.0 -0.982 16.5 158.0-125.5 126.3 5.8 22.9 -2.6 48 48 A T + 0 0 17 -2,-0.4 2,-0.2 2,-0.0 -1,-0.1 0.346 60.1 92.7-120.6 -2.5 5.8 19.5 -4.4 49 49 A D - 0 0 0 74,-0.1 2,-0.5 48,-0.1 74,-0.2 -0.546 69.1-136.1 -94.9 155.5 8.7 18.3 -2.3 50 50 A Y E -E 122 0B 20 72,-3.1 72,-2.9 -2,-0.2 2,-0.3 -0.963 23.4-139.7-112.4 122.9 8.8 16.3 0.9 51 51 A H E -EF 121 95B 9 44,-3.5 44,-1.3 -2,-0.5 2,-0.6 -0.635 9.0-159.9 -86.8 138.7 11.4 17.6 3.4 52 52 A D E -E 120 0B 7 68,-3.4 68,-2.4 -2,-0.3 42,-0.1 -0.850 15.7-172.4-118.9 90.1 13.5 15.2 5.4 53 53 A D - 0 0 2 -2,-0.6 39,-3.8 40,-0.4 40,-0.2 -0.729 20.8-151.3 -87.9 125.9 14.7 17.2 8.4 54 54 A P S S+ 0 0 14 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.662 83.5 46.2 -69.9 -13.5 17.3 15.5 10.6 55 55 A L S S- 0 0 19 56,-0.1 37,-0.4 1,-0.1 -2,-0.1 -0.701 98.8 -85.5-121.2 173.4 16.0 17.5 13.6 56 56 A E - 0 0 107 -2,-0.2 2,-0.4 35,-0.1 55,-0.4 -0.320 33.4-148.0 -77.6 162.9 12.6 18.4 14.9 57 57 A E E -C 89 0A 5 32,-1.0 32,-2.6 53,-0.1 2,-0.4 -1.000 4.8-146.7-134.2 131.6 10.5 21.3 13.7 58 58 A F E -CD 88 109A 64 51,-3.1 51,-2.0 -2,-0.4 2,-0.4 -0.827 15.8-165.9 -99.6 137.8 8.0 23.3 15.8 59 59 A F E +CD 87 108A 3 28,-2.8 28,-1.9 -2,-0.4 2,-0.3 -0.957 18.0 172.1-126.1 141.7 4.9 24.7 14.3 60 60 A Y E -CD 86 107A 92 47,-1.8 47,-3.1 -2,-0.4 2,-1.2 -0.788 22.4-150.6-146.5 98.0 2.4 27.3 15.5 61 61 A Q E + D 0 106A 0 24,-2.4 23,-3.7 -2,-0.3 45,-0.3 -0.601 23.9 170.7 -74.7 100.1 -0.2 28.3 12.9 62 62 A L E + 0 0 46 -2,-1.2 2,-0.4 43,-1.1 44,-0.2 0.907 62.7 24.2 -77.9 -47.6 -0.9 31.9 14.0 63 63 A R E S- D 0 105A 67 42,-2.8 42,-2.7 20,-0.1 -1,-0.2 -0.982 112.3 -17.1-127.7 135.1 -3.0 33.1 11.1 64 64 A G S S- 0 0 10 -2,-0.4 2,-0.3 40,-0.2 20,-0.1 -0.105 81.5 -66.0 74.4-169.9 -5.1 31.1 8.6 65 65 A N + 0 0 67 17,-0.2 36,-0.6 18,-0.1 2,-0.3 -0.899 48.7 154.9-123.6 151.2 -5.1 27.4 7.8 66 66 A A E -G 81 0B 4 15,-1.6 15,-3.2 -2,-0.3 2,-0.3 -0.879 20.8-145.1-155.5-180.0 -2.5 25.1 6.2 67 67 A Y E -GH 80 98B 54 31,-2.2 31,-3.2 13,-0.3 2,-0.5 -0.993 11.2-128.5-156.6 158.0 -1.6 21.4 6.1 68 68 A L E -GH 79 97B 0 11,-2.8 11,-2.7 -2,-0.3 2,-0.4 -0.944 15.6-145.8-112.3 121.9 1.3 19.0 5.9 69 69 A N E +GH 78 96B 44 27,-2.2 27,-2.4 -2,-0.5 9,-0.2 -0.740 36.5 175.7 -81.0 133.9 1.3 16.2 3.4 70 70 A L E -GH 77 95B 21 7,-3.8 7,-2.9 -2,-0.4 2,-0.4 -0.757 38.7-133.8-133.3 178.8 3.1 13.3 5.1 71 71 A W E +G 76 0B 37 23,-0.8 23,-0.3 5,-0.3 5,-0.2 -0.984 22.1 177.4-133.4 119.0 4.2 9.7 4.9 72 72 A V S S- 0 0 81 3,-2.0 4,-0.1 -2,-0.4 -1,-0.1 0.702 79.7 -23.3-100.4 -23.6 3.5 7.8 8.1 73 73 A D S S- 0 0 164 2,-0.4 3,-0.1 0, 0.0 -2,-0.0 0.310 125.7 -43.1-150.0 -46.9 4.6 4.3 7.2 74 74 A G S S+ 0 0 60 1,-0.1 2,-0.4 0, 0.0 -3,-0.0 0.075 117.0 98.5-177.1 6.9 4.5 4.1 3.4 75 75 A R S S- 0 0 47 0, 0.0 -3,-2.0 0, 0.0 -2,-0.4 -0.897 77.5-115.4-113.4 139.5 1.1 5.8 3.1 76 76 A R E -G 71 0B 101 -2,-0.4 -5,-0.3 -5,-0.2 2,-0.3 -0.556 40.7-175.0 -72.8 130.4 0.6 9.5 2.3 77 77 A E E -G 70 0B 88 -7,-2.9 -7,-3.8 -2,-0.3 2,-0.4 -0.798 20.3-139.2-124.8 167.1 -1.0 11.3 5.2 78 78 A R E -G 69 0B 133 -2,-0.3 2,-0.7 -9,-0.2 -9,-0.2 -0.960 10.7-172.4-132.9 115.4 -2.4 14.8 5.9 79 79 A A E -G 68 0B 26 -11,-2.7 -11,-2.8 -2,-0.4 2,-0.1 -0.917 21.8-144.9-107.7 106.6 -1.8 16.6 9.1 80 80 A D E -G 67 0B 61 -2,-0.7 2,-0.6 -13,-0.3 -13,-0.3 -0.445 7.2-154.5 -73.2 141.2 -3.9 19.8 9.1 81 81 A L E -G 66 0B 3 -15,-3.2 -15,-1.6 -2,-0.1 2,-0.1 -0.784 18.5-170.8-114.6 82.5 -2.6 23.0 10.8 82 82 A K > - 0 0 113 -2,-0.6 3,-2.9 -17,-0.2 -21,-0.2 -0.494 43.7 -80.3 -73.0 145.9 -5.8 24.9 11.6 83 83 A E T 3 S+ 0 0 117 1,-0.3 -21,-0.2 -2,-0.1 -1,-0.1 -0.198 123.3 27.7 -47.0 124.8 -5.3 28.4 12.8 84 84 A G T 3 S+ 0 0 46 -23,-3.7 -1,-0.3 1,-0.4 2,-0.1 0.197 92.5 127.6 105.2 -14.7 -4.3 28.2 16.5 85 85 A D < - 0 0 65 -3,-2.9 -24,-2.4 -24,-0.2 -1,-0.4 -0.463 39.8-163.7 -77.6 145.9 -2.7 24.7 16.2 86 86 A I E +C 60 0A 108 -26,-0.2 2,-0.3 -2,-0.1 -26,-0.2 -0.875 11.9 178.4-121.3 158.1 0.8 23.9 17.4 87 87 A F E -C 59 0A 69 -28,-1.9 -28,-2.8 -2,-0.3 2,-0.5 -0.953 22.4-150.1-164.1 138.5 2.7 20.8 16.4 88 88 A L E -C 58 0A 94 -2,-0.3 -30,-0.2 -30,-0.2 -2,-0.0 -0.973 19.4-149.9-115.7 120.3 6.1 19.2 17.0 89 89 A L E -C 57 0A 4 -32,-2.6 -32,-1.0 -2,-0.5 3,-0.1 -0.787 16.0-125.2 -94.4 125.8 7.4 17.0 14.1 90 90 A P > - 0 0 69 0, 0.0 3,-1.4 0, 0.0 -37,-0.2 -0.274 44.8 -83.9 -62.5 155.4 9.7 14.1 14.9 91 91 A P T 3 S+ 0 0 55 0, 0.0 -35,-0.1 0, 0.0 3,-0.1 -0.269 109.6 12.8 -61.2 145.9 13.0 14.2 13.0 92 92 A H T 3 S+ 0 0 90 -39,-3.8 2,-0.5 -37,-0.4 -36,-0.1 0.357 79.3 141.9 72.8 -4.8 12.9 12.6 9.5 93 93 A V < - 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