==== 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 1YFY . 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) . 9608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 56.9 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 . 46 26.4 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 . 19 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 8.0 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 0 0 0 2 0 0 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 . 4 2 2 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 0 222 0, 0.0 2,-0.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-163.8 25.0 42.1 25.0 2 2 A L > - 0 0 124 1,-0.2 3,-1.1 2,-0.0 0, 0.0 -0.268 360.0-179.0 -90.8 48.8 21.6 41.3 23.5 3 3 A T T 3 S+ 0 0 115 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.628 79.7 54.8 -13.8 -51.3 23.0 40.4 20.1 4 4 A Y T 3 S- 0 0 114 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.0 -0.033 114.6-118.9 -84.5 35.5 19.4 39.8 18.9 5 5 A G < - 0 0 49 -3,-1.1 -1,-0.3 -2,-0.3 3,-0.1 -0.107 46.3 -59.5 57.4-165.5 18.4 43.3 19.9 6 6 A A S S- 0 0 63 1,-0.2 0, 0.0 -3,-0.1 0, 0.0 -0.352 71.0 -61.7-102.8-177.3 15.6 43.5 22.6 7 7 A P - 0 0 129 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.221 52.4-178.3 -65.5 158.2 12.0 42.3 22.6 8 8 A F - 0 0 89 -3,-0.1 2,-0.2 0, 0.0 -3,-0.0 -0.988 37.1 -86.4-156.0 153.1 9.4 43.5 20.0 9 9 A N > - 0 0 97 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 -0.439 33.5-159.2 -64.6 127.1 5.8 43.0 19.2 10 10 A F H > S+ 0 0 50 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 85.0 52.5 -77.8 -42.1 5.4 40.0 17.0 11 11 A P H > S+ 0 0 61 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.976 108.8 50.3 -58.1 -54.9 2.0 40.7 15.4 12 12 A R H > S+ 0 0 172 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.945 110.2 51.7 -44.5 -60.1 3.0 44.2 14.3 13 13 A W H X S+ 0 0 29 -4,-1.4 4,-2.8 1,-0.3 -1,-0.2 0.901 108.4 49.8 -42.7 -55.2 6.2 42.8 12.7 14 14 A I H < S+ 0 0 8 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.915 111.4 51.3 -53.0 -43.5 4.1 40.2 10.8 15 15 A D H >< S+ 0 0 97 -4,-2.6 3,-0.7 -3,-0.4 -2,-0.2 0.849 112.5 44.8 -63.4 -38.1 1.9 43.1 9.7 16 16 A E H >< S+ 0 0 95 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.961 116.9 41.8 -72.0 -53.9 4.8 45.2 8.5 17 17 A H G >< S+ 0 0 37 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 -0.017 78.8 117.8 -84.6 32.1 6.8 42.5 6.6 18 18 A A G < S+ 0 0 54 -3,-0.7 3,-0.5 1,-0.2 -1,-0.2 0.749 72.5 55.4 -69.0 -21.2 3.5 41.1 5.2 19 19 A H G < S+ 0 0 139 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.567 95.1 63.5 -89.5 -9.5 4.8 41.9 1.8 20 20 A L S < S+ 0 0 76 -3,-0.9 2,-1.3 1,-0.1 -1,-0.2 0.403 72.3 105.0 -94.4 1.8 8.1 40.0 2.0 21 21 A L + 0 0 27 -3,-0.5 82,-0.1 -4,-0.2 6,-0.1 -0.695 54.0 153.5 -84.1 92.5 6.3 36.6 2.3 22 22 A K >> - 0 0 136 -2,-1.3 4,-1.7 5,-0.3 3,-0.5 -0.949 29.1 -68.3-131.7 150.9 6.8 35.3 -1.2 23 23 A P T 34 S+ 0 0 56 0, 0.0 22,-0.1 0, 0.0 -1,-0.1 -0.041 90.9 40.2 -61.1 165.6 7.1 31.9 -3.1 24 24 A P T 34 S+ 0 0 41 0, 0.0 22,-0.4 0, 0.0 21,-0.0 -0.995 141.9 3.5 -82.0 -4.0 8.5 29.2 -3.7 25 25 A V T <4 S- 0 0 6 -3,-0.5 20,-0.1 118,-0.1 22,-0.1 0.647 80.7-152.7-112.2 -25.1 9.3 28.9 0.0 26 26 A G < + 0 0 2 -4,-1.7 16,-1.8 15,-0.1 117,-0.1 0.524 42.8 147.2 64.0 9.8 7.5 32.0 1.3 27 27 A N - 0 0 19 14,-0.2 -5,-0.3 -5,-0.2 15,-0.2 0.465 32.1-178.4 -59.3-162.0 9.9 32.3 4.3 28 28 A R - 0 0 80 114,-0.1 12,-1.5 -7,-0.1 2,-0.3 -0.037 22.3-139.1 153.6 96.0 11.3 35.2 6.2 29 29 A Q B -A 39 0A 23 10,-0.2 10,-0.3 1,-0.1 3,-0.1 -0.530 6.6-156.1 -75.4 131.8 13.8 34.7 9.0 30 30 A V S S+ 0 0 23 8,-3.9 2,-0.4 -2,-0.3 -1,-0.1 0.958 76.6 24.3 -73.4 -55.7 13.3 36.8 12.1 31 31 A W S S- 0 0 94 7,-0.4 3,-0.4 5,-0.1 7,-0.3 -0.961 80.4-137.8-116.8 135.2 16.7 36.9 13.7 32 32 A Q S S+ 0 0 118 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.451 71.9 12.0 -92.8 162.1 19.9 36.3 11.7 33 33 A D S S+ 0 0 152 -2,-0.1 -1,-0.2 1,-0.1 2,-0.1 0.836 94.4 125.3 42.5 50.4 23.1 34.3 12.4 34 34 A S - 0 0 15 -3,-0.4 -1,-0.1 2,-0.1 3,-0.1 -0.251 67.0-121.9-113.9-160.0 21.6 32.5 15.5 35 35 A D S S+ 0 0 83 1,-0.2 77,-0.5 -2,-0.1 2,-0.4 0.678 97.5 62.5-114.2 -49.4 21.1 28.9 16.5 36 36 A F E S- B 0 111A 143 75,-0.2 2,-0.9 1,-0.1 75,-0.3 -0.652 83.9-143.4 -75.1 132.3 17.4 28.8 17.0 37 37 A I E - B 0 110A 10 73,-4.8 73,-1.8 -2,-0.4 2,-1.0 -0.793 17.7-173.2-108.0 97.4 16.0 29.5 13.5 38 38 A V E + B 0 109A 17 -2,-0.9 -8,-3.9 -7,-0.3 -7,-0.4 -0.731 14.1 165.4 -92.2 99.6 12.9 31.5 13.8 39 39 A T E -AB 29 108A 1 69,-2.8 69,-1.7 -2,-1.0 2,-0.4 -0.689 26.2-149.8-107.4 162.7 11.3 31.9 10.4 40 40 A V E - B 0 107A 3 -12,-1.5 2,-0.4 -2,-0.3 67,-0.2 -0.960 15.7-164.6-135.7 113.6 7.8 33.1 9.6 41 41 A V E - B 0 106A 7 65,-1.6 65,-1.7 -2,-0.4 -14,-0.2 -0.855 7.7-177.0-104.9 133.0 6.2 31.6 6.4 42 42 A G - 0 0 1 -16,-1.8 63,-0.2 -2,-0.4 57,-0.1 -0.645 23.5 -47.3-119.9 178.8 3.2 33.0 4.7 43 43 A G S S+ 0 0 10 58,-0.4 60,-0.8 61,-0.4 61,-0.1 -0.649 89.9 39.8-110.6 169.5 1.1 32.1 1.7 44 44 A P + 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.388 69.8 176.3 -87.5 136.6 0.6 31.2 -1.0 45 45 A N - 0 0 17 54,-3.2 2,-0.6 -22,-0.1 54,-0.1 -0.753 25.2-148.2-106.6 151.7 3.4 28.7 -1.2 46 46 A H + 0 0 72 -22,-0.4 2,-0.5 -2,-0.3 52,-0.1 -0.826 33.6 153.4-119.2 88.0 4.4 26.3 -4.0 47 47 A R + 0 0 22 -2,-0.6 49,-0.1 50,-0.2 -2,-0.1 -0.979 15.8 155.9-121.8 130.5 5.9 23.2 -2.5 48 48 A T + 0 0 21 -2,-0.5 2,-0.2 50,-0.0 -1,-0.1 0.033 60.1 91.6-132.2 11.6 5.7 19.9 -4.4 49 49 A D S S- 0 0 0 48,-0.1 2,-0.5 74,-0.1 74,-0.2 -0.628 70.7-129.7-110.2 166.7 8.8 18.6 -2.5 50 50 A Y E -E 122 0B 24 72,-2.3 72,-2.1 -2,-0.2 2,-0.3 -0.957 17.2-147.0-125.5 113.6 9.4 16.8 0.7 51 51 A H E -EF 121 95B 9 44,-2.8 44,-2.0 -2,-0.5 2,-0.2 -0.582 4.1-161.5 -77.7 135.8 11.8 18.1 3.3 52 52 A D E -E 120 0B 9 68,-3.3 68,-0.6 -2,-0.3 42,-0.1 -0.503 15.7-172.0-116.2 61.8 13.8 15.5 5.3 53 53 A D - 0 0 1 40,-0.3 39,-3.3 -2,-0.2 66,-0.1 -0.246 20.1-150.2 -55.2 133.5 14.9 17.6 8.3 54 54 A P S S+ 0 0 15 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.407 80.0 50.5 -86.3 3.8 17.4 15.8 10.5 55 55 A L S S- 0 0 18 35,-0.1 37,-0.3 1,-0.1 58,-0.0 -0.784 98.1 -79.4-131.7 174.6 16.1 17.8 13.5 56 56 A E - 0 0 107 -2,-0.2 55,-0.4 35,-0.1 2,-0.4 -0.285 37.2-158.1 -74.3 160.7 12.9 18.7 15.0 57 57 A E E -C 89 0A 3 32,-1.3 32,-3.3 53,-0.1 2,-0.4 -0.989 3.0-158.7-141.6 134.7 10.7 21.5 13.6 58 58 A F E -CD 88 109A 62 51,-2.5 51,-3.0 -2,-0.4 2,-0.3 -0.916 9.3-176.9-118.2 144.7 8.1 23.4 15.5 59 59 A F E -CD 87 108A 3 28,-1.8 28,-1.5 -2,-0.4 2,-0.4 -0.993 16.3-178.0-140.8 147.7 5.1 25.4 14.2 60 60 A Y E -CD 86 107A 95 47,-0.9 2,-2.5 -2,-0.3 47,-2.2 -0.901 28.5-138.0-144.2 105.9 2.3 27.6 15.6 61 61 A Q E - 0 0 0 24,-2.2 23,-2.7 -2,-0.4 3,-0.2 -0.426 25.6-176.8 -68.3 78.6 -0.1 28.8 12.9 62 62 A L E - 0 0 45 -2,-2.5 2,-0.4 1,-0.2 -1,-0.2 0.898 67.5 -0.9 -43.7 -59.0 -0.3 32.3 14.3 63 63 A R E S+ D 0 105A 68 42,-2.3 42,-2.8 -3,-0.2 -1,-0.2 -0.968 114.8 18.1-143.0 122.8 -2.8 33.5 11.8 64 64 A G S S- 0 0 5 -2,-0.4 2,-0.3 -3,-0.2 20,-0.1 -0.676 76.8 -82.5 117.9-174.5 -4.4 31.6 8.9 65 65 A N + 0 0 58 -2,-0.2 36,-0.6 17,-0.2 2,-0.3 -0.960 46.1 146.8-132.6 151.2 -4.8 27.9 7.9 66 66 A A E -G 81 0B 8 15,-2.1 15,-3.5 -2,-0.3 2,-0.3 -0.978 23.6-137.1-170.1 168.7 -2.5 25.4 6.2 67 67 A Y E -GH 80 98B 63 31,-2.0 31,-2.9 -2,-0.3 2,-0.4 -0.836 6.7-134.0-136.9 177.1 -1.5 21.7 6.1 68 68 A L E -GH 79 97B 1 11,-3.3 11,-3.0 -2,-0.3 2,-0.3 -0.928 8.8-154.0-136.8 111.5 1.3 19.1 5.8 69 69 A N E + H 0 96B 41 27,-1.7 27,-1.8 -2,-0.4 2,-0.3 -0.623 33.5 163.4 -78.5 143.9 1.4 16.1 3.6 70 70 A L E - H 0 95B 23 -2,-0.3 7,-1.6 7,-0.2 2,-0.6 -0.950 42.4-108.7-153.4 169.8 3.6 13.5 5.2 71 71 A W B -J 76 0C 40 23,-0.6 23,-0.3 -2,-0.3 5,-0.2 -0.930 26.8-173.1-110.8 110.6 4.5 9.8 5.1 72 72 A V S S- 0 0 81 3,-2.1 -1,-0.2 -2,-0.6 4,-0.1 0.952 82.7 -23.7 -66.7 -58.8 3.2 7.9 8.1 73 73 A D S S- 0 0 164 2,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.321 128.6 -49.6-130.2 -13.1 4.7 4.4 7.7 74 74 A G S S+ 0 0 53 1,-0.3 2,-0.5 -4,-0.1 -3,-0.1 0.267 113.8 116.1 146.3 18.7 5.1 4.8 4.0 75 75 A R S S- 0 0 46 1,-0.0 -3,-2.1 0, 0.0 -1,-0.3 -0.954 71.5-111.3-116.0 128.0 1.6 6.0 3.4 76 76 A R B +J 71 0C 105 -2,-0.5 2,-0.2 -5,-0.2 -5,-0.2 -0.206 52.2 159.4 -52.8 145.1 0.7 9.5 2.1 77 77 A E - 0 0 96 -7,-1.6 -7,-0.2 -5,-0.0 2,-0.2 -0.679 30.1-128.6-148.2-159.9 -1.0 11.5 4.8 78 78 A R - 0 0 137 -9,-0.3 2,-0.4 -2,-0.2 -9,-0.3 -0.745 3.9-161.9-173.9 121.3 -1.9 15.0 6.0 79 79 A A E -G 68 0B 24 -11,-3.0 -11,-3.3 -2,-0.2 2,-0.6 -0.851 24.4-138.2-101.8 137.0 -1.6 17.1 9.1 80 80 A D E -G 67 0B 73 -2,-0.4 2,-1.5 -13,-0.2 -13,-0.3 -0.868 7.0-157.5-104.6 120.4 -3.8 20.1 9.3 81 81 A L E -G 66 0B 7 -15,-3.5 -15,-2.1 -2,-0.6 2,-0.2 -0.648 20.8-176.7 -91.7 80.5 -2.5 23.4 10.6 82 82 A K > - 0 0 121 -2,-1.5 3,-2.1 -17,-0.2 -21,-0.3 -0.585 44.9 -78.4 -76.9 140.8 -5.7 25.0 11.6 83 83 A E T 3 S+ 0 0 109 1,-0.3 -21,-0.2 -2,-0.2 -1,-0.2 0.000 117.5 21.2 -42.0 136.8 -5.2 28.5 12.9 84 84 A G T 3 S+ 0 0 36 -23,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.331 94.6 122.6 87.5 -7.8 -3.9 28.6 16.5 85 85 A D < - 0 0 66 -3,-2.1 -24,-2.2 -24,-0.2 -1,-0.3 -0.503 42.0-163.3 -87.0 156.7 -2.6 25.1 16.5 86 86 A I E +C 60 0A 95 -26,-0.2 2,-0.3 -2,-0.2 -26,-0.2 -0.816 11.1 173.5-128.0 170.0 1.0 24.2 17.2 87 87 A F E -C 59 0A 72 -28,-1.5 -28,-1.8 -2,-0.3 2,-0.6 -0.861 24.6-135.7-177.4 141.1 2.8 20.9 16.5 88 88 A L E -C 58 0A 84 -2,-0.3 -30,-0.2 -30,-0.2 -32,-0.0 -0.938 17.5-144.3-113.2 123.4 6.3 19.5 16.7 89 89 A L E -C 57 0A 3 -32,-3.3 -32,-1.3 -2,-0.6 3,-0.1 -0.725 18.5-130.5 -86.8 125.9 7.6 17.4 13.8 90 90 A P > - 0 0 66 0, 0.0 3,-0.7 0, 0.0 -35,-0.1 -0.217 44.2 -72.7 -66.5 167.4 9.8 14.5 14.9 91 91 A P T 3 S+ 0 0 58 0, 0.0 -35,-0.1 0, 0.0 2,-0.1 -0.237 110.0 2.8 -65.3 147.1 13.2 14.2 13.1 92 92 A H T 3 S+ 0 0 91 -39,-3.3 -36,-0.1 -37,-0.3 2,-0.0 0.238 84.5 144.3 63.8 -15.3 13.4 13.0 9.5 93 93 A V < - 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0 0 1 -3,-0.8 -61,-0.4 -61,-0.1 2,-0.3 -0.554 29.9-171.1 -89.1 152.6 -1.2 33.5 6.3 105 105 A A E + D 0 63A 2 -42,-2.8 -42,-2.3 -2,-0.2 2,-0.4 -0.939 6.3 178.0-151.2 124.0 1.5 33.4 8.9 106 106 A C E -B 41 0A 0 -65,-1.7 -65,-1.6 -2,-0.3 2,-0.9 -0.959 28.2-129.8-125.9 142.5 3.0 30.5 10.7 107 107 A L E -BD 40 60A 23 -47,-2.2 -47,-0.9 -2,-0.4 2,-0.6 -0.808 29.7-175.5 -92.0 103.3 5.9 30.5 13.2 108 108 A V E -BD 39 59A 8 -69,-1.7 -69,-2.8 -2,-0.9 2,-0.5 -0.901 1.1-174.5-105.2 127.3 8.3 27.8 12.1 109 109 A I E +BD 38 58A 40 -51,-3.0 -51,-2.5 -2,-0.6 2,-0.2 -0.969 13.2 150.0-126.5 128.7 11.2 27.2 14.3 110 110 A E E -B 37 0A 14 -73,-1.8 -73,-4.8 -2,-0.5 2,-0.2 -0.717 35.2-108.8-136.9-173.9 14.2 24.9 13.7 111 111 A R E -B 36 0A 113 -55,-0.4 2,-0.6 -75,-0.3 -75,-0.2 -0.624 36.4 -91.2-114.8 175.9 17.9 24.7 14.7 112 112 A Q - 0 0 81 -77,-0.5 28,-0.1 -2,-0.2 -76,-0.0 -0.799 44.1-124.6 -89.9 118.3 21.1 25.1 12.9 113 113 A R - 0 0 16 -2,-0.6 3,-0.1 26,-0.1 6,-0.1 -0.495 29.4-121.0 -65.6 127.9 22.2 21.8 11.5 114 114 A P > - 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