==== 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 1YFW . 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) . 9249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 29.9 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 . 20 11.5 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 . 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 . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 2 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 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 0 205 0, 0.0 2,-2.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 158.5 24.9 41.6 25.4 2 2 A L > - 0 0 127 1,-0.2 3,-2.6 2,-0.1 4,-0.0 -0.511 360.0-177.2 -77.8 78.4 21.6 41.0 23.7 3 3 A T T 3 S+ 0 0 104 -2,-2.1 -1,-0.2 1,-0.3 3,-0.1 0.724 81.1 44.8 -47.3 -28.2 23.0 39.9 20.4 4 4 A Y T 3 S- 0 0 113 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.206 112.4-116.1-107.8 17.0 19.5 39.6 18.9 5 5 A G < - 0 0 48 -3,-2.6 -1,-0.3 26,-0.0 3,-0.1 -0.121 43.4 -47.8 79.8-179.4 18.0 42.9 20.2 6 6 A A S S- 0 0 68 1,-0.2 0, 0.0 -3,-0.1 0, 0.0 -0.315 70.2 -75.6 -86.2 170.3 15.2 43.6 22.6 7 7 A P - 0 0 130 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.282 52.9-176.2 -63.6 152.9 11.7 42.1 22.7 8 8 A F - 0 0 89 -3,-0.1 2,-0.3 0, 0.0 5,-0.0 -0.992 35.6 -87.6-152.0 152.8 9.3 43.4 20.0 9 9 A N > - 0 0 100 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 -0.433 33.9-160.5 -63.5 122.7 5.6 42.9 19.1 10 10 A F H > S+ 0 0 53 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.893 84.8 54.4 -75.1 -42.3 5.3 39.9 16.8 11 11 A P H > S+ 0 0 62 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.939 111.2 47.2 -57.0 -46.7 1.9 40.6 15.2 12 12 A R H > S+ 0 0 157 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.927 110.2 52.7 -60.4 -46.0 3.1 44.0 14.2 13 13 A W H X S+ 0 0 32 -4,-1.5 4,-1.0 1,-0.2 -1,-0.2 0.947 111.0 47.3 -55.5 -48.2 6.3 42.6 12.8 14 14 A I H >X S+ 0 0 7 -4,-3.0 4,-0.9 1,-0.2 3,-0.7 0.920 110.5 51.9 -60.6 -43.6 4.3 40.1 10.8 15 15 A D H >< S+ 0 0 95 -4,-2.8 3,-0.7 1,-0.2 4,-0.3 0.917 110.2 49.4 -58.3 -44.4 2.0 42.8 9.5 16 16 A E H 3< S+ 0 0 105 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.640 119.0 36.9 -72.2 -15.5 4.9 44.9 8.4 17 17 A H H XX S+ 0 0 35 -4,-1.0 3,-2.4 -3,-0.7 4,-0.6 0.337 81.5 108.1-116.6 5.1 6.6 42.1 6.5 18 18 A A G X< S+ 0 0 49 -4,-0.9 3,-1.2 -3,-0.7 85,-0.1 0.867 77.2 57.8 -49.1 -40.7 3.5 40.4 5.2 19 19 A H G 34 S+ 0 0 135 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.645 99.6 59.1 -68.1 -14.0 4.4 41.6 1.7 20 20 A L G <4 S+ 0 0 71 -3,-2.4 2,-1.3 1,-0.1 -1,-0.2 0.564 76.0 99.1 -92.4 -9.3 7.8 39.8 1.8 21 21 A L << + 0 0 19 -3,-1.2 7,-0.1 -4,-0.6 6,-0.1 -0.667 57.8 160.3 -80.3 98.1 6.4 36.3 2.3 22 22 A K > - 0 0 135 -2,-1.3 4,-2.3 5,-0.4 5,-0.4 -0.889 26.4 -55.0-126.7 155.7 6.6 35.0 -1.3 23 23 A P T 4 S+ 0 0 67 0, 0.0 22,-0.1 0, 0.0 2,-0.1 -0.091 98.2 33.0 -58.3 160.4 6.6 31.7 -3.2 24 24 A P T 4 S+ 0 0 24 0, 0.0 22,-2.9 0, 0.0 0, 0.0 -0.916 139.9 5.4 -78.1 -29.1 7.8 29.1 -3.5 25 25 A V T 4 S- 0 0 7 -3,-0.3 3,-0.1 20,-0.2 20,-0.1 0.889 75.2-146.1 -82.2 -40.9 8.7 28.8 0.3 26 26 A G < + 0 0 2 -4,-2.3 16,-1.9 1,-0.2 2,-0.1 0.678 45.0 163.0 79.3 17.8 7.0 31.9 1.7 27 27 A N E +A 41 0A 24 -5,-0.4 -5,-0.4 14,-0.2 -1,-0.2 -0.276 24.9 169.5 -73.3 151.7 9.9 32.1 4.1 28 28 A R E -A 40 0A 89 12,-0.5 12,-2.0 -7,-0.1 2,-0.3 -0.693 22.0-146.0-165.8 106.5 11.1 34.9 6.4 29 29 A Q E -A 39 0A 21 10,-0.2 10,-0.3 -2,-0.2 3,-0.1 -0.592 3.1-157.0 -79.4 132.2 13.7 34.5 9.1 30 30 A V S S+ 0 0 21 8,-3.1 2,-0.4 -2,-0.3 -1,-0.1 0.953 75.2 23.5 -73.9 -53.0 13.3 36.7 12.2 31 31 A W S S- 0 0 91 7,-0.5 3,-0.4 5,-0.2 7,-0.3 -0.927 78.2-130.4-118.7 143.3 16.8 36.8 13.7 32 32 A Q S S+ 0 0 120 -2,-0.4 -2,-0.0 1,-0.2 5,-0.0 -0.628 78.2 6.4 -93.9 150.3 20.1 36.2 11.8 33 33 A D S S+ 0 0 142 -2,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.817 89.0 137.9 52.9 42.4 22.9 33.9 12.8 34 34 A S - 0 0 11 -3,-0.4 -1,-0.2 2,-0.2 78,-0.0 -0.685 62.9-124.9-111.0 166.2 21.2 32.2 15.7 35 35 A D S S+ 0 0 84 -2,-0.2 77,-1.9 1,-0.1 2,-0.6 0.902 103.2 62.2 -75.0 -42.1 21.1 28.6 16.8 36 36 A F E S- B 0 111A 128 75,-0.2 2,-0.9 -3,-0.0 75,-0.2 -0.761 82.0-148.7 -84.3 118.5 17.3 28.7 16.8 37 37 A I E - B 0 110A 6 73,-3.0 73,-2.6 -2,-0.6 2,-0.6 -0.821 19.6-171.4 -91.1 107.0 16.2 29.4 13.3 38 38 A V E + B 0 109A 14 -2,-0.9 -8,-3.1 -7,-0.3 -7,-0.5 -0.912 12.4 164.4-105.8 121.3 12.9 31.3 13.8 39 39 A T E -AB 29 108A 1 69,-2.7 69,-2.8 -2,-0.6 2,-0.4 -0.874 33.0-141.1-135.0 165.6 10.8 31.9 10.8 40 40 A V E -AB 28 107A 0 -12,-2.0 -12,-0.5 -2,-0.3 2,-0.4 -0.984 20.5-163.4-124.7 135.4 7.4 33.0 9.7 41 41 A V E +AB 27 106A 8 65,-1.9 65,-1.9 -2,-0.4 -14,-0.2 -0.989 10.6 177.3-125.7 130.0 5.9 31.3 6.6 42 42 A G - 0 0 1 -16,-1.9 63,-0.2 -2,-0.4 60,-0.1 -0.612 19.7 -51.5-120.8-177.8 3.0 32.6 4.7 43 43 A G B S+e 102 0B 13 58,-0.6 60,-0.6 61,-0.3 61,-0.2 -0.694 86.5 37.4-125.0 178.3 1.0 31.7 1.6 44 44 A P S S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.467 74.3 170.9 -78.1 136.8 0.2 31.0 -1.1 45 45 A N - 0 0 19 54,-2.0 2,-0.3 -22,-0.1 -20,-0.2 -0.405 28.8-137.3-102.6-177.0 3.3 28.8 -1.3 46 46 A H + 0 0 53 -22,-2.9 2,-0.4 -2,-0.1 52,-0.1 -0.750 34.3 152.7-147.2 96.9 4.4 26.2 -3.9 47 47 A R + 0 0 19 -2,-0.3 49,-0.1 50,-0.2 -2,-0.1 -0.993 17.3 157.3-130.7 129.4 5.9 23.0 -2.6 48 48 A T + 0 0 17 -2,-0.4 76,-0.3 2,-0.0 2,-0.2 0.375 60.2 93.7-122.2 -8.0 5.9 19.6 -4.3 49 49 A D - 0 0 0 74,-0.1 2,-0.5 48,-0.1 74,-0.2 -0.510 69.2-135.4 -88.8 153.0 8.9 18.4 -2.4 50 50 A Y E -F 122 0C 22 72,-3.3 72,-3.1 -2,-0.2 2,-0.4 -0.944 21.8-140.0-109.4 126.9 9.0 16.4 0.9 51 51 A H E -FG 121 95C 10 44,-3.4 44,-1.3 -2,-0.5 2,-0.6 -0.704 9.9-162.0 -90.4 136.5 11.5 17.7 3.4 52 52 A D E -F 120 0C 5 68,-3.3 68,-2.5 -2,-0.4 42,-0.1 -0.879 15.4-170.5-118.7 93.0 13.6 15.3 5.5 53 53 A D - 0 0 2 -2,-0.6 39,-3.7 40,-0.4 40,-0.2 -0.761 20.8-150.3 -89.8 123.1 14.8 17.3 8.4 54 54 A P S S+ 0 0 14 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.629 83.2 48.4 -66.9 -11.1 17.5 15.6 10.6 55 55 A L S S- 0 0 20 35,-0.1 37,-0.3 56,-0.1 -2,-0.1 -0.765 98.1 -82.8-124.9 170.3 16.1 17.7 13.5 56 56 A E - 0 0 105 -2,-0.2 55,-0.4 35,-0.1 2,-0.4 -0.299 34.2-150.9 -71.2 155.5 12.8 18.6 15.0 57 57 A E E -C 89 0A 5 32,-1.4 32,-3.0 53,-0.1 2,-0.4 -0.999 3.1-153.5-130.7 131.0 10.5 21.3 13.7 58 58 A F E -CD 88 109A 63 51,-2.8 51,-2.4 -2,-0.4 2,-0.4 -0.891 14.0-168.8-106.0 134.4 8.1 23.3 15.8 59 59 A F E +CD 87 108A 2 28,-3.0 28,-1.9 -2,-0.4 2,-0.3 -0.925 17.6 174.4-124.2 148.0 5.0 24.9 14.2 60 60 A Y E -CD 86 107A 92 47,-1.6 47,-3.0 -2,-0.4 2,-1.1 -0.745 22.8-148.3-152.7 97.3 2.5 27.4 15.4 61 61 A Q E + D 0 106A 0 24,-2.0 23,-3.5 45,-0.3 45,-0.3 -0.581 23.6 173.1 -71.0 101.3 -0.1 28.5 12.8 62 62 A L E + 0 0 46 43,-1.2 2,-0.4 -2,-1.1 44,-0.2 0.859 63.3 23.4 -79.9 -40.3 -0.7 32.0 14.0 63 63 A R E S- D 0 105A 69 42,-2.8 42,-2.2 20,-0.1 -1,-0.2 -0.993 113.4 -16.6-133.0 139.1 -2.9 33.2 11.1 64 64 A G S S- 0 0 8 -2,-0.4 2,-0.3 40,-0.2 20,-0.1 -0.033 82.9 -69.9 66.7-170.6 -5.0 31.3 8.6 65 65 A N + 0 0 49 17,-0.2 36,-0.6 18,-0.1 2,-0.3 -0.850 46.6 158.9-122.8 158.4 -4.9 27.6 7.9 66 66 A A E -H 81 0C 4 15,-1.8 15,-3.4 -2,-0.3 2,-0.3 -0.882 19.5-144.5-157.6-179.5 -2.4 25.2 6.2 67 67 A Y E -HI 80 98C 54 31,-2.3 31,-3.1 13,-0.3 2,-0.5 -0.987 11.1-127.3-154.9 161.9 -1.6 21.5 6.2 68 68 A L E -HI 79 97C 0 11,-3.0 11,-2.5 -2,-0.3 2,-0.5 -0.961 13.6-145.6-116.8 122.2 1.3 19.2 5.9 69 69 A N E -HI 78 96C 46 27,-2.3 27,-2.7 -2,-0.5 2,-0.3 -0.754 35.8-177.9 -81.2 129.2 1.4 16.4 3.4 70 70 A L E -HI 77 95C 12 7,-3.1 7,-1.9 -2,-0.5 2,-0.5 -0.799 37.9-138.9-127.6 170.1 3.3 13.6 5.2 71 71 A W E +H 76 0C 47 23,-1.2 2,-0.6 -2,-0.3 23,-0.5 -0.924 32.4 179.3-126.7 94.8 4.6 10.0 4.7 72 72 A V E > S-H 75 0C 68 3,-2.6 3,-1.2 -2,-0.5 -2,-0.1 -0.922 70.0 -20.0-106.6 120.0 3.7 8.3 8.0 73 73 A D T 3 S- 0 0 165 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.902 131.3 -47.8 50.7 46.2 4.7 4.7 8.3 74 74 A G T 3 S+ 0 0 69 -3,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.623 117.6 110.4 73.5 15.3 4.9 4.4 4.5 75 75 A R E < S-H 72 0C 37 -3,-1.2 -3,-2.6 0, 0.0 2,-0.9 -0.976 74.0-116.7-128.5 136.0 1.5 6.1 3.9 76 76 A R E +H 71 0C 108 -2,-0.4 -5,-0.3 -5,-0.2 2,-0.2 -0.529 49.7 171.8 -68.0 103.9 0.6 9.5 2.4 77 77 A E E -H 70 0C 99 -7,-1.9 -7,-3.1 -2,-0.9 2,-0.4 -0.574 25.7-137.0-110.0 174.3 -1.0 11.2 5.3 78 78 A R E -H 69 0C 133 -9,-0.2 2,-0.6 -2,-0.2 -9,-0.2 -0.988 9.2-168.4-138.3 126.7 -2.2 14.8 6.0 79 79 A A E -H 68 0C 24 -11,-2.5 -11,-3.0 -2,-0.4 2,-0.3 -0.956 19.4-143.9-115.7 112.4 -1.8 16.8 9.1 80 80 A D E -H 67 0C 77 -2,-0.6 2,-0.8 -13,-0.3 -13,-0.3 -0.559 4.4-155.2 -77.3 135.2 -3.9 20.0 9.2 81 81 A L E -H 66 0C 4 -15,-3.4 -15,-1.8 -2,-0.3 2,-0.2 -0.791 20.1-170.8-110.1 85.1 -2.5 23.1 10.7 82 82 A K > - 0 0 107 -2,-0.8 3,-3.1 -17,-0.2 -21,-0.3 -0.518 42.1 -81.4 -75.6 143.5 -5.6 25.0 11.7 83 83 A E T 3 S+ 0 0 114 1,-0.3 -21,-0.2 -2,-0.2 -1,-0.2 -0.187 122.7 26.3 -45.0 127.9 -5.1 28.6 12.9 84 84 A G T 3 S+ 0 0 46 -23,-3.5 -1,-0.3 1,-0.3 2,-0.2 0.194 93.1 125.6 100.5 -16.6 -4.2 28.3 16.5 85 85 A D < - 0 0 64 -3,-3.1 -24,-2.0 -24,-0.2 -1,-0.3 -0.477 41.1-162.2 -78.5 147.6 -2.6 24.8 16.3 86 86 A I E -C 60 0A 109 -26,-0.2 2,-0.3 -2,-0.2 -26,-0.2 -0.878 12.1-179.8-120.5 158.1 0.9 24.0 17.4 87 87 A F E -C 59 0A 66 -28,-1.9 -28,-3.0 -2,-0.3 2,-0.5 -0.975 21.7-149.6-161.4 142.4 2.8 20.9 16.4 88 88 A L E -C 58 0A 95 -2,-0.3 -30,-0.2 -30,-0.2 -32,-0.0 -0.982 17.0-154.0-119.1 120.3 6.2 19.3 16.9 89 89 A L E -C 57 0A 4 -32,-3.0 -32,-1.4 -2,-0.5 3,-0.1 -0.841 16.1-128.6 -98.2 124.7 7.5 17.2 14.1 90 90 A P > - 0 0 71 0, 0.0 3,-1.1 0, 0.0 -37,-0.2 -0.156 43.3 -79.1 -63.0 162.9 10.0 14.3 15.0 91 91 A P T 3 S+ 0 0 54 0, 0.0 -35,-0.1 0, 0.0 3,-0.1 -0.330 110.6 10.6 -65.2 148.9 13.2 14.2 13.0 92 92 A H T 3 S+ 0 0 93 -39,-3.7 2,-0.5 -37,-0.3 -36,-0.1 0.304 78.8 140.6 70.8 -7.5 13.1 12.7 9.5 93 93 A V < - 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0 0 3 -3,-1.0 -61,-0.3 -61,-0.2 2,-0.3 -0.527 29.5-172.4 -84.7 153.8 -1.5 33.3 6.3 105 105 A A E + D 0 63A 1 -42,-2.2 -42,-2.8 -63,-0.2 -43,-1.2 -0.920 9.5 179.4-154.1 125.1 1.3 33.1 8.9 106 106 A C E -BD 41 61A 0 -65,-1.9 -65,-1.9 -2,-0.3 2,-0.5 -0.988 25.2-135.0-128.7 128.9 2.9 30.2 10.7 107 107 A L E -BD 40 60A 24 -47,-3.0 -47,-1.6 -2,-0.4 2,-0.5 -0.703 28.0-175.0 -80.0 123.4 5.7 30.4 13.2 108 108 A V E -BD 39 59A 7 -69,-2.8 -69,-2.7 -2,-0.5 2,-0.4 -0.984 4.5-171.5-125.3 122.9 8.3 27.7 12.3 109 109 A I E +BD 38 58A 46 -51,-2.4 -51,-2.8 -2,-0.5 2,-0.2 -0.954 13.6 158.3-118.3 133.4 11.2 27.1 14.6 110 110 A E E -B 37 0A 15 -73,-2.6 -73,-3.0 -2,-0.4 2,-0.3 -0.798 33.8-106.0-138.4 178.6 14.1 24.8 13.7 111 111 A R E -B 36 0A 112 -55,-0.4 2,-0.2 -2,-0.2 -75,-0.2 -0.848 32.2-103.2-115.6 150.6 17.8 24.3 14.7 112 112 A Q - 0 0 58 -77,-1.9 28,-0.1 -2,-0.3 -77,-0.0 -0.521 45.0-121.9 -65.6 130.4 21.1 25.1 12.9 113 113 A R - 0 0 18 26,-0.4 3,-0.1 -2,-0.2 -1,-0.1 -0.648 22.2-121.8 -81.9 128.5 22.3 21.8 11.6 114 114 A P > - 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