==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-JAN-10 2X3N . COMPND 2 MOLECULE: PROBABLE FAD-DEPENDENT MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.OKE,L.G.CARTER,K.A.JOHNSON,H.LIU,S.A.MCMAHON,M.F.WHITE, . 364 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 17 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 3 1 0 1 3 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 0 5 1 1 1 1 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 . 1 2 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 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 4 A N 0 0 106 0, 0.0 147,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 14.8 41.4 42.2 43.9 2 5 A H E +a 148 0A 144 145,-0.2 2,-0.3 147,-0.1 145,-0.0 -0.625 360.0 174.4 -74.5 131.4 38.9 45.0 44.3 3 6 A I E -a 149 0A 6 145,-2.0 147,-1.3 -2,-0.3 25,-0.1 -0.904 35.0-130.6-133.2 166.3 37.1 45.8 41.0 4 7 A D E S+ 0 0 36 23,-1.8 147,-1.5 -2,-0.3 2,-0.4 0.932 86.4 12.9 -82.2 -50.5 34.3 48.1 40.0 5 8 A V E -ab 151 28A 0 22,-2.1 24,-2.3 145,-0.2 2,-0.6 -0.994 52.5-161.5-138.4 129.1 32.1 45.8 38.0 6 9 A L E -ab 152 29A 0 145,-2.5 147,-2.9 -2,-0.4 2,-0.6 -0.955 19.5-161.4-102.4 118.8 31.9 42.0 37.4 7 10 A I E -ab 153 30A 0 22,-2.9 24,-2.8 -2,-0.6 2,-0.8 -0.926 6.6-151.1-106.3 118.8 29.9 41.3 34.3 8 11 A N E +ab 154 31A 16 145,-3.2 147,-2.4 -2,-0.6 24,-0.2 -0.826 69.7 22.9 -88.7 110.8 28.6 37.8 33.9 9 12 A G - 0 0 8 22,-3.3 23,-0.2 -2,-0.8 22,-0.1 0.308 59.5-143.2 107.5 128.0 28.3 37.0 30.1 10 13 A C + 0 0 0 4,-0.1 -1,-0.1 20,-0.1 146,-0.1 -0.343 55.0 128.4-115.9 48.4 30.1 38.5 27.2 11 14 A G S > S- 0 0 27 144,-0.7 4,-2.9 4,-0.0 5,-0.3 -0.072 84.6 -71.1 -78.7-164.2 27.3 38.5 24.7 12 15 A I H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.912 136.4 45.1 -61.6 -42.0 26.4 41.6 22.7 13 16 A G H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.936 115.8 45.5 -64.9 -48.8 24.9 43.3 25.9 14 17 A G H > S+ 0 0 1 141,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.895 114.2 48.8 -62.7 -42.7 27.8 42.4 28.2 15 18 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.935 111.8 48.3 -64.9 -45.0 30.4 43.4 25.7 16 19 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.932 113.2 48.2 -64.5 -42.8 28.8 46.7 25.0 17 20 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.932 111.6 50.2 -61.2 -46.2 28.5 47.4 28.7 18 21 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.908 112.1 47.5 -59.0 -43.9 32.1 46.4 29.3 19 22 A Y H X S+ 0 0 23 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.942 112.0 48.3 -64.1 -46.8 33.4 48.7 26.6 20 23 A L H X S+ 0 0 12 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.901 116.3 43.8 -62.4 -40.7 31.3 51.7 27.7 21 24 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.0 -5,-0.2 3,-0.7 0.894 112.6 52.4 -68.6 -41.6 32.5 51.2 31.3 22 25 A G H ><5S+ 0 0 1 -4,-2.7 3,-2.1 -5,-0.3 94,-0.2 0.889 102.5 58.8 -60.3 -40.7 36.1 50.6 30.2 23 26 A R H 3<5S+ 0 0 119 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.737 104.5 52.3 -58.7 -26.8 36.0 53.8 28.1 24 27 A Q T <<5S- 0 0 72 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.418 122.0-109.9 -89.5 -0.5 35.3 55.6 31.4 25 28 A G T < 5 + 0 0 47 -3,-2.1 -3,-0.2 1,-0.3 2,-0.1 0.610 65.2 151.8 80.9 14.4 38.3 54.0 33.1 26 29 A H < - 0 0 17 -5,-2.0 2,-0.8 1,-0.1 -1,-0.3 -0.479 52.4-113.0 -74.9 147.2 36.2 51.7 35.4 27 30 A R + 0 0 78 -2,-0.1 -22,-2.1 90,-0.1 -23,-1.8 -0.745 46.2 177.0 -89.8 113.1 37.8 48.4 36.4 28 31 A V E -bc 5 117A 0 88,-2.2 90,-2.4 -2,-0.8 2,-0.4 -0.923 22.8-167.7-123.8 136.6 35.8 45.7 34.8 29 32 A V E -bc 6 118A 0 -24,-2.3 -22,-2.9 -2,-0.4 2,-0.5 -0.999 12.4-160.2-120.3 125.5 36.1 41.9 34.7 30 33 A V E -bc 7 119A 1 88,-2.6 90,-3.3 -2,-0.4 2,-0.5 -0.930 2.0-159.1-106.6 130.9 33.9 40.0 32.2 31 34 A V E +bc 8 120A 2 -24,-2.8 -22,-3.3 -2,-0.5 2,-0.4 -0.946 12.9 177.6-113.9 121.3 33.3 36.3 32.7 32 35 A E - 0 0 25 88,-2.9 91,-2.4 -2,-0.5 90,-0.5 -0.992 23.5-155.6-130.4 126.5 32.2 34.3 29.7 33 36 A Q S S+ 0 0 120 -2,-0.4 -1,-0.1 89,-0.3 2,-0.1 0.792 76.8 65.9 -69.1 -30.9 31.6 30.5 29.8 34 37 A A S S- 0 0 36 1,-0.1 88,-2.1 88,-0.1 89,-0.3 -0.388 95.5 -92.8 -88.4 165.3 32.3 30.0 26.0 35 38 A R - 0 0 169 86,-0.2 -1,-0.1 87,-0.1 -2,-0.1 -0.506 35.6-117.7 -66.8 146.3 35.5 30.4 24.0 36 39 A R 0 0 88 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 0.907 360.0 360.0 -51.8 -46.5 35.8 33.9 22.5 37 40 A E 0 0 186 -3,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.897 360.0 360.0 119.9 360.0 35.7 32.0 19.2 38 ! 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 39 44 A N 0 0 155 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.6 24.2 33.5 15.5 40 45 A G - 0 0 42 1,-0.1 60,-0.2 227,-0.0 61,-0.1 -0.855 360.0 -19.9-167.8-158.7 21.7 36.0 16.8 41 46 A A - 0 0 32 -2,-0.3 59,-1.7 58,-0.1 -1,-0.1 -0.157 38.5-161.1 -67.2 162.7 19.6 39.0 16.0 42 47 A D + 0 0 7 255,-0.2 56,-2.9 57,-0.2 2,-0.5 0.309 53.2 100.9-123.1 -0.3 20.4 41.3 13.0 43 48 A L E -F 97 0B 20 254,-0.7 258,-0.5 54,-0.2 2,-0.5 -0.818 38.8-177.8-112.1 129.4 18.6 44.5 13.8 44 49 A L E -F 96 0B 0 52,-2.9 52,-2.6 -2,-0.5 254,-0.1 -0.990 16.1-159.6-114.7 125.8 19.6 47.9 15.2 45 50 A K > - 0 0 48 -2,-0.5 4,-2.7 50,-0.2 3,-0.5 -0.451 41.5 -88.3 -91.8 166.3 16.8 50.4 15.7 46 51 A P H > S+ 0 0 37 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.870 128.4 51.0 -45.2 -45.2 17.4 54.2 16.0 47 52 A A H > S+ 0 0 25 1,-0.2 4,-1.1 2,-0.2 -3,-0.0 0.886 112.6 46.2 -62.5 -40.0 17.9 54.0 19.8 48 53 A G H > S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 3,-0.2 0.878 110.0 53.9 -64.9 -40.0 20.4 51.2 19.4 49 54 A I H X S+ 0 0 5 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.900 102.4 58.7 -65.0 -38.0 22.2 53.0 16.6 50 55 A R H X S+ 0 0 153 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.880 106.5 47.7 -56.7 -38.3 22.5 56.0 18.9 51 56 A V H X S+ 0 0 11 -4,-1.1 4,-2.2 -3,-0.2 -2,-0.2 0.928 112.5 48.5 -66.8 -45.3 24.5 53.9 21.4 52 57 A V H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 6,-0.5 0.910 112.4 49.4 -60.4 -42.4 26.7 52.5 18.7 53 58 A E H ><5S+ 0 0 96 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.922 110.1 50.4 -65.4 -43.4 27.3 56.1 17.5 54 59 A A H 3<5S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.847 105.1 57.6 -60.5 -35.7 28.2 57.2 21.0 55 60 A A T 3<5S- 0 0 2 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.533 117.5-115.7 -72.7 -6.6 30.6 54.3 21.3 56 61 A G T < 5S+ 0 0 52 -3,-1.4 4,-0.2 -4,-0.3 -3,-0.2 0.714 87.2 113.0 78.2 24.5 32.4 55.7 18.2 57 62 A L >< + 0 0 1 -5,-2.5 4,-1.9 -6,-0.2 -4,-0.2 0.477 36.2 95.0-106.9 -8.2 31.5 52.5 16.3 58 63 A L H > S+ 0 0 35 -6,-0.5 4,-1.4 1,-0.2 5,-0.2 0.880 85.6 49.8 -60.7 -43.9 29.1 53.7 13.6 59 64 A A H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 111.6 49.6 -58.0 -47.0 31.6 54.1 10.8 60 65 A E H > S+ 0 0 34 -4,-0.2 4,-1.5 1,-0.2 6,-0.2 0.831 101.5 65.1 -64.3 -31.1 33.1 50.7 11.5 61 66 A V H <>S+ 0 0 0 -4,-1.9 5,-2.6 1,-0.2 3,-0.5 0.950 108.9 36.2 -57.4 -51.8 29.6 49.1 11.4 62 67 A T H ><5S+ 0 0 66 -4,-1.4 3,-1.6 1,-0.2 -1,-0.2 0.857 112.8 60.1 -72.6 -32.2 29.0 49.9 7.7 63 68 A R H 3<5S+ 0 0 187 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.756 106.4 49.9 -59.8 -25.6 32.7 49.2 6.9 64 69 A R T 3<5S- 0 0 82 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.092 135.4 -81.4-106.2 21.9 32.1 45.7 8.2 65 70 A G T < 5S+ 0 0 4 -3,-1.6 147,-0.4 1,-0.3 -3,-0.2 0.402 78.7 145.9 101.1 -0.8 29.0 44.9 6.2 66 71 A G < - 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0 0 96 -4,-0.3 3,-2.1 1,-0.1 -1,-0.2 -0.938 62.1-156.2-121.0 115.0 12.9 62.0 10.4 91 96 A A G > S+ 0 0 84 -2,-0.5 3,-0.5 1,-0.3 -1,-0.1 0.820 99.8 51.0 -58.0 -34.6 16.3 61.8 8.6 92 97 A R G 3 S+ 0 0 174 1,-0.2 -1,-0.3 -6,-0.0 -5,-0.1 0.090 79.7 103.8 -88.5 22.0 17.7 59.7 11.5 93 98 A G G < + 0 0 11 -3,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 0.574 54.1 115.5 -77.6 -6.1 14.7 57.3 11.3 94 99 A Y < - 0 0 44 -3,-0.5 2,-0.2 -4,-0.1 -24,-0.2 -0.088 52.8-148.6 -67.8 158.3 16.7 54.6 9.6 95 100 A F E - G 0 69B 5 -26,-2.9 -26,-2.8 -50,-0.1 2,-0.4 -0.721 10.0-132.1-115.8 172.0 17.6 51.2 11.0 96 101 A I E -FG 44 68B 0 -52,-2.6 -52,-2.9 -2,-0.2 2,-0.6 -0.990 0.4-147.7-128.6 136.5 20.7 49.0 10.4 97 102 A L E +FG 43 67B 3 -30,-2.5 -30,-2.6 -2,-0.4 -54,-0.2 -0.933 36.4 151.9 -98.1 122.6 21.0 45.3 9.6 98 103 A M - 0 0 0 -56,-2.9 -32,-0.1 -2,-0.6 -33,-0.1 -0.924 47.8-112.0-154.2 120.6 24.2 44.0 11.2 99 104 A P >> - 0 0 12 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.343 23.8-130.0 -59.8 135.2 24.8 40.4 12.3 100 105 A C H 3> S+ 0 0 21 -59,-1.7 4,-3.0 1,-0.2 5,-0.2 0.903 108.8 52.8 -46.6 -50.0 25.1 40.2 16.1 101 106 A E H 3> S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.855 107.3 51.6 -59.6 -38.2 28.4 38.2 15.8 102 107 A S H <> S+ 0 0 38 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.918 113.3 43.8 -62.9 -46.0 29.9 40.9 13.6 103 108 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.928 113.2 51.1 -68.0 -44.4 29.0 43.7 16.0 104 109 A R H X S+ 0 0 38 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.933 108.2 52.3 -58.4 -45.7 30.2 41.7 19.0 105 110 A R H X S+ 0 0 149 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.889 109.7 49.8 -58.2 -39.0 33.5 41.0 17.3 106 111 A L H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.938 110.9 48.5 -63.1 -50.0 34.0 44.7 16.7 107 112 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.898 109.4 53.5 -57.3 -41.2 33.2 45.6 20.3 108 113 A L H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.893 104.4 55.1 -64.3 -40.2 35.6 42.9 21.5 109 114 A E H < S+ 0 0 79 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.876 109.7 47.3 -54.0 -42.9 38.4 44.3 19.4 110 115 A K H >< S+ 0 0 56 -4,-1.6 3,-1.2 1,-0.2 -2,-0.2 0.896 108.6 53.3 -67.4 -40.6 37.8 47.7 21.2 111 116 A I H >< S+ 0 0 3 -4,-2.3 3,-2.6 1,-0.3 6,-0.3 0.882 97.4 67.9 -60.8 -35.6 37.8 46.1 24.6 112 117 A D T 3< S+ 0 0 97 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.767 102.5 46.8 -55.4 -28.5 41.2 44.5 23.7 113 118 A G T < S+ 0 0 61 -3,-1.2 2,-0.8 -4,-0.5 -1,-0.3 0.356 88.3 98.4 -94.4 2.4 42.6 48.1 23.8 114 119 A E X - 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