==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-FEB-13 4J33 . COMPND 2 MOLECULE: KYNURENINE 3-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.AMARAL,C.LEVY,D.J.HEYES,P.LAFITE,T.F.OUTEIRO,F.GIORGINI,D. . 758 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 79 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 2 0 0 6 0 0 4 2 3 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 0 3 5 2 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 4 1 2 5 6 3 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 4 1 0 4 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 0 242 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -23.9 30.7 -18.4 -17.1 2 2 A S - 0 0 66 24,-0.0 2,-0.3 1,-0.0 24,-0.1 -0.623 360.0-132.7 -90.8 154.1 32.1 -15.8 -14.6 3 3 A E - 0 0 62 -2,-0.2 24,-2.9 22,-0.2 2,-0.4 -0.818 17.1-134.6-104.4 152.7 33.0 -12.2 -15.5 4 4 A S E -a 27 0A 23 -2,-0.3 154,-1.4 22,-0.2 153,-0.9 -0.835 17.7-169.5-109.5 143.9 36.3 -10.7 -14.5 5 5 A V E -ab 28 158A 0 22,-2.4 24,-2.3 -2,-0.4 2,-0.6 -0.996 14.2-149.6-134.5 132.0 36.7 -7.2 -13.0 6 6 A A E -ab 29 159A 0 152,-1.9 154,-2.8 -2,-0.4 2,-0.6 -0.909 14.5-162.4 -95.2 121.9 39.9 -5.1 -12.4 7 7 A I E -ab 30 160A 0 22,-3.0 24,-2.9 -2,-0.6 2,-0.7 -0.937 8.1-150.2-106.1 120.9 39.4 -2.8 -9.4 8 8 A I E +ab 31 161A 9 152,-2.8 154,-2.3 -2,-0.6 24,-0.2 -0.844 63.6 29.4 -98.9 111.2 42.0 -0.0 -9.3 9 9 A G - 0 0 7 22,-3.7 23,-0.2 -2,-0.7 22,-0.1 0.296 56.5-146.8 112.3 124.8 42.9 1.2 -5.9 10 10 A A + 0 0 2 4,-0.2 22,-0.1 20,-0.1 -1,-0.1 -0.269 57.7 118.5-116.5 40.6 42.9 -0.7 -2.5 11 11 A G S > S- 0 0 24 151,-0.5 4,-2.3 4,-0.0 5,-0.2 -0.064 89.7 -69.0 -78.0-162.5 41.9 2.1 -0.2 12 12 A L H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.883 135.4 43.4 -61.1 -42.1 38.7 1.8 1.8 13 13 A V H > S+ 0 0 17 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.918 113.1 50.9 -76.3 -40.3 36.4 2.1 -1.1 14 14 A G H > S+ 0 0 0 148,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.909 111.1 48.7 -61.2 -43.7 38.3 -0.2 -3.4 15 15 A C H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.901 112.4 48.2 -63.6 -40.0 38.5 -2.9 -0.8 16 16 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.2 -2,-0.2 0.926 111.7 49.4 -67.6 -44.1 34.7 -2.6 -0.1 17 17 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.920 110.9 51.0 -57.2 -42.7 34.0 -2.8 -3.9 18 18 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.914 111.2 47.9 -63.1 -42.7 36.3 -5.8 -4.1 19 19 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.937 112.8 48.6 -59.2 -49.7 34.4 -7.5 -1.2 20 20 A A H X S+ 0 0 3 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.914 116.6 40.8 -58.7 -48.3 31.0 -6.6 -2.8 21 21 A F H <>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 4,-0.3 0.894 114.1 50.6 -73.6 -40.0 31.9 -8.0 -6.3 22 22 A S H ><5S+ 0 0 17 -4,-2.6 3,-1.3 -5,-0.3 -1,-0.2 0.915 110.8 51.4 -61.2 -41.2 33.8 -11.1 -5.1 23 23 A K H 3<5S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.843 105.7 55.0 -62.4 -35.2 30.8 -11.9 -2.9 24 24 A E T 3<5S- 0 0 107 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.459 127.0-100.2 -81.1 -0.7 28.4 -11.5 -5.9 25 25 A G T < 5S+ 0 0 50 -3,-1.3 -3,-0.2 1,-0.3 -22,-0.2 0.477 74.6 137.9 101.9 3.0 30.5 -14.1 -7.8 26 26 A Y < - 0 0 25 -5,-2.3 2,-1.0 -24,-0.1 -1,-0.3 -0.454 60.9-113.6 -77.0 153.1 32.7 -12.0 -10.1 27 27 A N E -a 4 0A 70 -24,-2.9 -22,-2.4 -2,-0.1 2,-0.4 -0.807 44.5-162.1 -85.9 105.0 36.4 -12.8 -10.5 28 28 A V E -a 5 0A 4 -2,-1.0 96,-2.3 -24,-0.2 2,-0.4 -0.708 22.3-174.7 -98.4 134.5 38.1 -9.8 -8.9 29 29 A T E -ac 6 124A 8 -24,-2.3 -22,-3.0 -2,-0.4 2,-0.6 -1.000 14.7-156.9-118.6 129.4 41.6 -8.6 -9.2 30 30 A L E -ac 7 125A 3 94,-3.0 96,-3.2 -2,-0.4 2,-0.4 -0.923 11.1-168.0-111.6 115.1 42.5 -5.7 -6.9 31 31 A Y E +ac 8 126A 2 -24,-2.9 -22,-3.7 -2,-0.6 2,-0.3 -0.807 14.7 163.5-105.7 142.3 45.4 -3.5 -7.9 32 32 A D E - c 0 127A 16 94,-1.9 97,-2.3 -2,-0.4 96,-0.8 -0.961 33.8-144.0-150.9 139.7 47.2 -0.8 -6.0 33 33 A F S S+ 0 0 135 -2,-0.3 97,-0.2 95,-0.3 115,-0.1 0.744 81.3 87.0 -73.1 -21.1 50.6 0.8 -6.8 34 34 A R S S- 0 0 22 95,-0.2 94,-1.9 1,-0.1 95,-0.3 -0.288 88.1-104.6 -72.7 162.3 51.3 1.0 -3.1 35 35 A Q - 0 0 101 9,-0.2 -1,-0.1 92,-0.2 -2,-0.1 -0.456 53.9 -76.7 -79.9 159.5 52.8 -1.8 -1.1 36 36 A D > - 0 0 20 1,-0.2 3,-2.0 -2,-0.1 6,-0.3 -0.434 39.8-147.4 -60.5 118.2 50.6 -3.9 1.2 37 37 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.2 0, 0.0 75,-0.1 0.632 92.4 70.0 -68.8 -13.2 49.9 -1.7 4.3 38 38 A R T 3 S+ 0 0 57 74,-0.1 2,-0.3 3,-0.0 -2,-0.1 0.602 84.3 90.8 -76.3 -11.2 49.8 -4.7 6.5 39 39 A L S < S- 0 0 71 -3,-2.0 3,-0.5 1,-0.1 -4,-0.0 -0.626 71.7-144.9 -87.6 143.1 53.5 -5.2 6.0 40 40 A D S S+ 0 0 129 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.720 101.6 65.1 -74.9 -21.4 56.1 -3.6 8.3 41 41 A T S S+ 0 0 100 -5,-0.1 2,-0.9 1,-0.1 -1,-0.2 0.773 82.0 87.8 -69.9 -26.4 58.3 -3.2 5.3 42 42 A T + 0 0 9 -3,-0.5 3,-0.1 -6,-0.3 -1,-0.1 -0.648 55.8 178.8 -76.9 105.4 55.7 -0.8 3.9 43 43 A K + 0 0 176 -2,-0.9 2,-1.0 1,-0.2 -1,-0.2 0.864 66.3 63.1 -79.8 -36.3 56.8 2.5 5.3 44 44 A N + 0 0 110 1,-0.2 -9,-0.2 2,-0.1 -1,-0.2 -0.769 54.0 173.3 -95.1 97.7 54.1 4.7 3.7 45 45 A K - 0 0 64 -2,-1.0 -1,-0.2 2,-0.1 3,-0.1 0.543 36.4-138.8 -77.1 -7.7 50.7 3.5 5.0 46 46 A N + 0 0 68 1,-0.2 2,-0.7 -3,-0.1 3,-0.1 0.905 40.2 164.7 46.5 50.9 49.1 6.5 3.1 47 47 A L - 0 0 51 1,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.874 25.3-169.4-101.5 109.2 46.8 7.1 6.0 48 48 A K S S+ 0 0 81 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.726 77.3 9.4 -71.8 -21.9 45.2 10.6 5.7 49 49 A S - 0 0 20 1,-0.1 -1,-0.2 -3,-0.1 59,-0.1 -0.980 68.0-128.2-152.6 155.3 43.9 10.4 9.2 50 50 A I S S+ 0 0 72 -2,-0.3 57,-2.0 57,-0.1 58,-0.6 0.894 92.2 13.1 -73.6 -40.5 44.3 8.0 12.2 51 51 A N E -F 106 0B 12 55,-0.3 2,-0.3 56,-0.1 55,-0.2 -0.839 66.5-149.6-134.4 175.4 40.6 7.5 12.6 52 52 A L E -F 105 0B 20 53,-2.4 53,-2.2 -2,-0.3 2,-0.7 -0.958 20.8-121.6-142.0 150.6 37.3 8.1 10.9 53 53 A A E -F 104 0B 34 -2,-0.3 2,-0.5 51,-0.2 270,-0.2 -0.891 30.2-164.1 -93.2 117.7 33.6 8.8 11.7 54 54 A I E -F 103 0B 0 49,-2.7 49,-1.5 -2,-0.7 2,-0.1 -0.921 10.4-148.4-103.9 127.9 31.6 6.0 10.1 55 55 A S E > -F 102 0B 0 -2,-0.5 4,-2.7 47,-0.2 5,-0.2 -0.302 30.9 -98.0 -87.6 171.7 27.9 6.8 9.8 56 56 A A H > S+ 0 0 48 45,-1.1 4,-3.0 1,-0.2 5,-0.2 0.916 127.2 52.3 -50.0 -45.1 24.8 4.5 10.0 57 57 A R H > S+ 0 0 118 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.880 108.8 48.2 -64.3 -40.6 24.8 4.6 6.2 58 58 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.912 114.1 46.7 -63.5 -45.2 28.5 3.6 6.0 59 59 A I H X S+ 0 0 18 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.913 110.4 53.2 -60.4 -45.3 27.9 0.7 8.5 60 60 A D H X S+ 0 0 81 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.814 105.6 55.2 -63.9 -29.4 24.7 -0.4 6.6 61 61 A A H X S+ 0 0 0 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.943 110.6 42.9 -68.0 -47.4 26.7 -0.6 3.3 62 62 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 3,-0.3 0.882 114.8 52.5 -65.5 -36.3 29.3 -2.9 4.8 63 63 A K H < S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.846 103.8 55.4 -68.2 -36.3 26.5 -4.9 6.5 64 64 A S H < S+ 0 0 76 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.767 113.7 43.5 -67.4 -22.6 24.6 -5.2 3.2 65 65 A I H < S- 0 0 21 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.883 137.6 -6.4 -90.6 -45.0 27.7 -6.8 1.7 66 66 A D X - 0 0 16 -4,-2.4 4,-2.9 -5,-0.1 -1,-0.2 -0.652 56.7-174.4-157.5 95.0 28.8 -9.2 4.5 67 67 A P H > S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.859 88.9 48.2 -57.9 -43.4 27.0 -9.1 7.9 68 68 A D H > S+ 0 0 130 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.909 114.8 44.9 -66.8 -44.3 29.3 -11.5 9.6 69 69 A A H > S+ 0 0 3 2,-0.2 4,-3.9 1,-0.2 5,-0.3 0.947 111.1 55.0 -61.2 -47.2 32.4 -9.7 8.4 70 70 A C H X S+ 0 0 5 -4,-2.9 4,-1.9 -8,-0.3 -2,-0.2 0.860 106.0 51.6 -56.6 -41.0 30.8 -6.4 9.4 71 71 A E H < S+ 0 0 154 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.958 117.2 38.7 -57.5 -52.7 30.3 -7.6 12.9 72 72 A H H >< S+ 0 0 98 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.920 115.4 51.5 -66.9 -46.6 33.9 -8.7 13.2 73 73 A I H 3< S+ 0 0 6 -4,-3.9 3,-0.3 1,-0.3 -1,-0.2 0.854 116.2 39.8 -61.5 -35.7 35.4 -5.7 11.4 74 74 A L T >< S+ 0 0 14 -4,-1.9 3,-1.5 -5,-0.3 -1,-0.3 0.185 78.3 114.6-102.2 17.4 33.6 -3.1 13.4 75 75 A Q T < S+ 0 0 134 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.765 80.4 43.7 -62.4 -26.7 33.9 -4.7 16.9 76 76 A D T 3 S+ 0 0 106 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.319 82.2 124.4-103.8 7.7 36.1 -2.0 18.3 77 77 A M < - 0 0 46 -3,-1.5 28,-0.2 28,-0.1 154,-0.1 -0.368 56.5-134.0 -69.9 149.1 34.3 1.1 16.9 78 78 A I E -G 104 0B 29 26,-2.4 26,-2.8 152,-0.2 152,-0.1 -0.907 16.2-136.7-109.7 112.0 33.1 3.6 19.5 79 79 A P E -G 103 0B 81 0, 0.0 2,-0.4 0, 0.0 24,-0.3 -0.380 13.9-140.9 -67.7 141.5 29.6 4.9 19.1 80 80 A M - 0 0 12 22,-2.6 22,-0.3 1,-0.1 135,-0.2 -0.843 13.4-166.9-103.0 145.3 29.0 8.6 19.5 81 81 A K - 0 0 117 133,-3.5 16,-2.1 -2,-0.4 2,-0.3 0.649 67.2 -47.1 -99.0 -26.5 25.9 10.0 21.3 82 82 A G E -Hi 96 215C 0 132,-1.0 134,-2.5 14,-0.3 2,-0.4 -0.955 67.5 -64.2 180.0-165.7 26.4 13.5 20.0 83 83 A R E -Hi 95 216C 70 12,-2.6 12,-3.3 -2,-0.3 2,-0.7 -0.911 33.2-147.4-112.0 140.0 28.7 16.5 19.5 84 84 A M E -Hi 94 217C 21 132,-2.7 134,-2.7 -2,-0.4 2,-0.5 -0.934 14.3-153.7-109.0 112.4 30.4 18.3 22.3 85 85 A I E -Hi 93 218C 10 8,-2.6 8,-1.6 -2,-0.7 2,-0.5 -0.753 4.9-161.4 -90.3 124.1 30.9 22.0 21.5 86 86 A H E -H 92 0C 1 132,-2.9 6,-0.2 -2,-0.5 2,-0.1 -0.904 10.5-160.8-104.8 122.2 33.8 23.8 23.3 87 87 A D > - 0 0 6 4,-2.4 3,-1.6 -2,-0.5 294,-0.2 -0.222 39.2 -85.3 -93.1-171.8 33.6 27.6 23.4 88 88 A L T 3 S+ 0 0 13 292,-2.7 293,-0.1 1,-0.3 292,-0.1 0.719 128.2 53.6 -68.7 -21.0 36.3 30.2 24.0 89 89 A K T 3 S- 0 0 174 291,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.486 120.5-108.1 -89.3 -3.2 35.9 29.9 27.8 90 90 A G < + 0 0 21 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.716 68.2 152.1 81.9 20.4 36.4 26.2 27.6 91 91 A R - 0 0 180 2,-0.0 -4,-2.4 0, 0.0 2,-0.4 -0.717 32.9-148.6 -81.3 133.9 32.7 25.5 28.3 92 92 A Q E -H 86 0C 77 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.867 13.2-173.5-107.3 137.9 31.4 22.2 26.9 93 93 A E E -H 85 0C 91 -8,-1.6 -8,-2.6 -2,-0.4 2,-0.5 -0.995 18.8-136.2-132.0 127.8 27.8 21.7 25.7 94 94 A S E -H 84 0C 56 -2,-0.4 2,-0.6 -10,-0.2 -10,-0.2 -0.697 15.6-171.5 -85.9 125.1 26.4 18.4 24.6 95 95 A Q E -H 83 0C 86 -12,-3.3 -12,-2.6 -2,-0.5 2,-0.1 -0.910 18.2-146.2-115.8 103.2 24.3 18.3 21.5 96 96 A L E H 82 0C 101 -2,-0.6 -14,-0.3 -14,-0.3 -15,-0.0 -0.383 360.0 360.0 -74.0 144.4 22.7 14.9 21.1 97 97 A Y 0 0 73 -16,-2.1 -1,-0.1 -2,-0.1 3,-0.1 -0.084 360.0 360.0 -64.9 360.0 22.1 13.4 17.6 98 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 99 101 A G 0 0 97 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0-147.0 21.3 14.3 12.9 100 102 A E - 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