==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-FEB-08 3C96 . COMPND 2 MOLECULE: FLAVIN-CONTAINING MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR S.M.VOROBIEV,Y.CHEN,J.SEETHARAMAN,D.WANG,L.MAO,R.XIAO, . 381 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 18.9 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 34 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 3 0 2 1 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 3 0 1 2 1 2 0 2 0 1 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 2 0 0 1 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 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 P 0 0 142 0, 0.0 26,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 147.2 -10.3 15.8 -50.8 2 5 A I - 0 0 51 1,-0.1 25,-2.3 154,-0.1 2,-0.6 -0.346 360.0-116.2 -68.4 149.7 -13.2 16.1 -48.4 3 6 A D E -a 27 0A 47 23,-0.2 153,-2.7 25,-0.1 154,-1.6 -0.798 32.4-167.6 -90.5 123.5 -13.4 19.2 -46.2 4 7 A I E -ab 28 157A 3 23,-2.6 25,-2.3 -2,-0.6 2,-0.5 -0.950 5.6-167.3-116.7 127.8 -13.0 18.4 -42.5 5 8 A L E -ab 29 158A 5 152,-2.8 154,-3.1 -2,-0.5 2,-0.5 -0.951 2.8-163.4-114.3 131.1 -13.8 20.9 -39.8 6 9 A I E -ab 30 159A 0 23,-2.4 25,-2.4 -2,-0.5 2,-0.7 -0.967 12.0-145.1-114.7 123.4 -12.7 20.3 -36.2 7 10 A A E S+ab 31 160A 1 152,-2.9 154,-1.7 -2,-0.5 25,-0.2 -0.806 72.7 29.8 -89.7 116.6 -14.4 22.4 -33.5 8 11 A G - 0 0 9 23,-3.2 24,-0.2 -2,-0.7 23,-0.1 0.281 60.5-143.5 106.8 127.8 -11.8 23.0 -30.8 9 12 A A + 0 0 0 4,-0.1 -1,-0.1 21,-0.1 23,-0.1 -0.253 60.9 119.1-114.6 42.2 -8.0 23.4 -31.1 10 13 A G S > S- 0 0 19 151,-0.5 4,-2.4 27,-0.0 5,-0.4 0.009 88.4 -66.0 -87.6-159.6 -7.2 21.7 -27.8 11 14 A I H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.918 136.2 43.5 -58.4 -45.0 -5.2 18.5 -27.3 12 15 A G H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 114.1 48.0 -67.5 -47.7 -7.7 16.4 -29.0 13 16 A G H > S+ 0 0 0 148,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.932 115.8 42.9 -60.8 -47.8 -8.4 18.7 -31.9 14 17 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.914 115.6 47.9 -66.6 -43.3 -4.8 19.4 -32.8 15 18 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.4 -1,-0.2 0.881 111.3 52.7 -65.0 -36.3 -3.7 15.7 -32.4 16 19 A C H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.894 105.8 52.9 -65.4 -40.7 -6.7 14.7 -34.6 17 20 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.903 110.2 49.0 -61.7 -39.9 -5.7 17.1 -37.3 18 21 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.889 110.1 50.4 -67.1 -39.6 -2.2 15.6 -37.3 19 22 A A H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.883 110.8 49.1 -65.9 -39.0 -3.7 12.0 -37.4 20 23 A L H <>S+ 0 0 0 -4,-2.4 5,-3.0 2,-0.2 4,-0.3 0.892 111.8 48.7 -67.5 -39.4 -5.9 13.0 -40.4 21 24 A H H ><5S+ 0 0 90 -4,-2.1 3,-1.4 3,-0.2 -2,-0.2 0.914 108.6 54.1 -66.0 -41.0 -2.9 14.6 -42.2 22 25 A Q H 3<5S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.881 109.3 47.9 -59.1 -39.2 -0.8 11.4 -41.5 23 26 A A T 3<5S- 0 0 43 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.485 114.6-120.1 -80.7 -3.1 -3.6 9.3 -43.1 24 27 A G T < 5 + 0 0 66 -3,-1.4 2,-0.5 -4,-0.3 -3,-0.2 0.815 59.0 158.4 67.5 31.8 -3.6 11.7 -46.1 25 28 A I < - 0 0 28 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.810 42.8 -56.7-100.8 122.2 -7.2 12.5 -45.4 26 29 A G S S- 0 0 26 -2,-0.5 2,-0.7 1,-0.1 -23,-0.2 0.408 71.6 -59.9 45.6-176.7 -8.9 15.7 -46.6 27 30 A K E -a 3 0A 119 -25,-2.3 -23,-2.6 -26,-0.1 2,-0.4 -0.931 59.1-151.1-102.4 117.5 -8.3 19.4 -46.1 28 31 A V E +a 4 0A 13 -2,-0.7 2,-0.4 -25,-0.2 -23,-0.2 -0.764 19.9 175.5-101.0 134.5 -8.5 20.1 -42.4 29 32 A T E -a 5 0A 26 -25,-2.3 -23,-2.4 -2,-0.4 2,-0.4 -0.987 13.7-153.7-132.5 139.8 -9.5 23.4 -40.7 30 33 A L E -ac 6 123A 0 92,-3.1 94,-3.2 -2,-0.4 2,-0.5 -0.935 1.8-155.5-118.0 140.5 -9.8 24.0 -37.0 31 34 A L E -ac 7 124A 3 -25,-2.4 -23,-3.2 -2,-0.4 2,-0.5 -0.966 13.0-171.9-115.5 118.7 -12.1 26.5 -35.3 32 35 A E E - c 0 125A 22 92,-3.2 95,-2.5 -2,-0.5 94,-0.6 -0.950 18.9-153.1-116.0 124.3 -10.9 27.6 -31.8 33 36 A S S S+ 0 0 83 -2,-0.5 95,-0.2 93,-0.2 -1,-0.1 0.860 72.6 89.8 -60.7 -39.0 -13.1 29.8 -29.6 34 37 A S S S- 0 0 60 93,-0.1 92,-2.7 1,-0.1 93,-0.3 -0.331 81.5-129.7 -63.3 141.5 -10.2 31.3 -27.7 35 38 A S S S+ 0 0 74 90,-0.2 2,-0.3 1,-0.2 90,-0.1 0.815 92.5 10.3 -60.2 -32.3 -8.7 34.5 -29.2 36 39 A E S S- 0 0 108 89,-0.1 2,-0.7 90,-0.0 -1,-0.2 -0.995 79.3-116.2-149.0 144.3 -5.3 32.9 -29.0 37 40 A I - 0 0 26 -2,-0.3 88,-0.0 -3,-0.1 -27,-0.0 -0.758 42.2-176.4 -85.7 114.4 -3.9 29.4 -28.2 38 41 A R - 0 0 129 -2,-0.7 2,-2.6 1,-0.0 69,-0.1 -0.787 39.5-107.7-112.4 154.4 -1.9 29.7 -25.0 39 42 A P + 0 0 61 0, 0.0 65,-0.3 0, 0.0 2,-0.2 -0.388 63.5 160.0 -77.9 66.2 0.2 27.1 -23.1 40 43 A L + 0 0 56 -2,-2.6 67,-0.2 64,-0.2 2,-0.2 -0.556 25.2 44.1 -91.9 156.2 -2.4 26.9 -20.3 41 44 A G S S- 0 0 16 -2,-0.2 63,-0.2 62,-0.1 2,-0.1 -0.439 71.8-103.1 106.0 177.6 -3.0 24.2 -17.7 42 45 A V - 0 0 4 1,-0.2 61,-2.8 -2,-0.2 62,-0.2 -0.330 62.7 -26.4-120.0-152.8 -0.6 22.2 -15.5 43 46 A G E +F 102 0B 8 59,-0.3 2,-0.3 146,-0.2 59,-0.2 -0.262 54.2 172.5 -68.1 145.7 0.8 18.7 -15.6 44 47 A I E -F 101 0B 40 57,-2.8 57,-2.4 174,-0.1 2,-0.5 -0.898 27.7-119.7-139.6 166.5 -0.9 15.7 -17.3 45 48 A N E -F 100 0B 28 -2,-0.3 2,-0.6 271,-0.2 276,-0.5 -0.959 13.3-159.0-116.9 130.1 0.2 12.1 -18.0 46 49 A I E -F 99 0B 0 53,-2.7 53,-2.1 -2,-0.5 271,-0.1 -0.938 23.8-132.6-106.2 116.2 0.3 10.7 -21.5 47 50 A Q >> - 0 0 57 -2,-0.6 4,-2.6 51,-0.2 3,-0.9 -0.302 25.3-104.2 -67.1 152.9 0.2 6.8 -21.4 48 51 A P H 3> S+ 0 0 21 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.810 120.8 54.4 -45.0 -41.1 2.7 4.8 -23.4 49 52 A A H 3> S+ 0 0 44 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.895 112.3 43.3 -63.4 -41.1 0.1 3.9 -26.0 50 53 A A H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.856 112.1 53.6 -72.9 -35.2 -0.7 7.5 -26.6 51 54 A V H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.909 106.2 54.0 -65.4 -38.6 3.0 8.4 -26.5 52 55 A E H X S+ 0 0 78 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.902 107.2 50.7 -60.6 -41.2 3.5 5.7 -29.2 53 56 A A H X S+ 0 0 6 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.936 111.7 46.8 -62.1 -46.3 0.9 7.4 -31.4 54 57 A L H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 6,-0.3 0.863 110.8 52.9 -64.9 -35.5 2.6 10.8 -31.0 55 58 A A H ><5S+ 0 0 24 -4,-2.5 3,-1.7 1,-0.2 5,-0.4 0.885 106.7 51.3 -67.5 -37.7 6.0 9.3 -31.8 56 59 A E H 3<5S+ 0 0 120 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.724 104.7 59.4 -70.6 -18.5 4.6 7.8 -35.0 57 60 A L T 3<5S- 0 0 6 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.371 126.2-105.6 -87.6 1.8 3.3 11.3 -35.7 58 61 A G T < 5S+ 0 0 49 -3,-1.7 4,-0.2 -5,-0.1 -3,-0.2 0.656 90.8 115.1 83.9 19.2 7.0 12.4 -35.5 59 62 A L >< + 0 0 9 -5,-2.4 4,-2.4 1,-0.2 -4,-0.2 0.314 36.6 106.4-103.3 8.6 6.8 14.1 -32.1 60 63 A G H > S+ 0 0 22 -5,-0.4 4,-2.4 -6,-0.3 5,-0.2 0.938 82.6 44.6 -51.1 -57.0 9.2 11.8 -30.3 61 64 A P H > S+ 0 0 104 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.877 112.2 52.6 -56.2 -42.7 12.1 14.4 -30.1 62 65 A A H > S+ 0 0 36 -4,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.913 111.2 46.7 -61.1 -44.9 9.8 17.2 -29.1 63 66 A L H >X S+ 0 0 1 -4,-2.4 4,-3.2 1,-0.2 3,-1.4 0.926 110.1 52.0 -63.9 -46.1 8.3 15.2 -26.2 64 67 A A H 3< S+ 0 0 55 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.786 105.4 58.5 -62.0 -26.8 11.7 14.1 -25.0 65 68 A A H 3< S+ 0 0 74 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.636 124.2 15.5 -79.0 -14.4 12.9 17.7 -25.0 66 69 A T H << S+ 0 0 14 -3,-1.4 154,-2.7 -4,-0.5 155,-0.4 0.665 109.9 71.0-130.1 -29.6 10.1 18.9 -22.6 67 70 A A S < S- 0 0 2 -4,-3.2 34,-0.2 152,-0.2 152,-0.1 -0.442 71.0-118.9 -94.1 167.4 8.5 16.0 -20.7 68 71 A I E -G 100 0B 9 32,-2.7 32,-2.6 149,-0.2 2,-2.0 -0.905 16.0-136.0-107.0 127.2 9.7 13.6 -18.0 69 72 A P E -G 99 0B 60 0, 0.0 30,-0.2 0, 0.0 19,-0.1 -0.551 28.8-150.2 -81.8 77.8 9.8 9.8 -18.7 70 73 A T E +G 98 0B 2 -2,-2.0 28,-0.5 28,-0.5 131,-0.2 -0.244 21.6 177.9 -51.1 125.8 8.2 8.8 -15.4 71 74 A H + 0 0 31 129,-2.3 17,-1.3 1,-0.2 2,-0.3 0.413 56.3 30.3-116.0 1.6 9.6 5.4 -14.4 72 75 A E E -Hi 87 201C 41 128,-0.7 130,-3.1 15,-0.3 2,-0.4 -0.988 51.2-154.9-160.6 149.5 8.0 4.7 -11.0 73 76 A L E -Hi 86 202C 21 13,-2.4 13,-1.8 -2,-0.3 2,-0.5 -0.998 17.4-166.9-125.7 124.9 4.9 5.3 -8.9 74 77 A R E -Hi 85 203C 80 128,-3.1 130,-2.6 -2,-0.4 2,-0.6 -0.968 9.7-156.1-118.0 125.8 5.3 5.2 -5.1 75 78 A Y E -Hi 84 204C 74 9,-3.5 8,-3.5 -2,-0.5 9,-1.6 -0.888 21.5-168.5 -98.2 117.8 2.4 5.0 -2.7 76 79 A I E -H 82 0C 0 128,-2.7 130,-0.5 -2,-0.6 6,-0.2 -0.858 12.5-131.8-113.0 146.8 3.5 6.4 0.7 77 80 A D > - 0 0 56 4,-2.5 3,-2.2 -2,-0.4 130,-0.1 -0.212 41.4 -85.1 -84.8-179.4 1.7 6.2 4.0 78 81 A Q T 3 S+ 0 0 5 1,-0.3 303,-0.5 128,-0.2 189,-0.5 0.510 128.6 56.5 -67.3 -3.1 1.2 9.0 6.5 79 82 A S T 3 S- 0 0 62 2,-0.2 -1,-0.3 189,-0.1 3,-0.1 0.458 119.9-110.0-101.1 -5.7 4.7 8.4 8.1 80 83 A G S < S+ 0 0 7 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.396 72.8 137.8 94.3 -1.7 6.2 8.9 4.6 81 84 A A - 0 0 47 1,-0.1 -4,-2.5 -5,-0.1 2,-0.4 -0.471 62.1-106.1 -78.8 147.7 7.2 5.3 4.1 82 85 A T E +H 76 0C 70 -6,-0.2 -6,-0.3 1,-0.2 3,-0.1 -0.611 38.3 173.7 -75.3 124.4 6.7 3.5 0.8 83 86 A V E + 0 0 84 -8,-3.5 2,-0.3 -2,-0.4 -7,-0.2 0.785 68.8 2.4 -96.9 -39.4 3.8 1.1 1.1 84 87 A W E -H 75 0C 151 -9,-1.6 -9,-3.5 2,-0.0 -1,-0.4 -0.992 63.8-179.7-149.2 146.6 3.6 0.1 -2.6 85 88 A S E +H 74 0C 54 -2,-0.3 -11,-0.2 -11,-0.2 -13,-0.0 -0.986 0.8 178.6-147.5 154.4 5.6 0.9 -5.7 86 89 A E E -H 73 0C 52 -13,-1.8 -13,-2.4 -2,-0.3 6,-0.1 -0.989 30.6-106.8-153.9 151.4 5.5 -0.1 -9.4 87 90 A P E -H 72 0C 66 0, 0.0 -15,-0.3 0, 0.0 2,-0.3 -0.359 31.1-162.8 -77.3 164.4 7.4 0.7 -12.5 88 91 A R > + 0 0 81 -17,-1.3 3,-0.7 -19,-0.1 4,-0.3 -0.932 49.6 5.3-140.2 160.7 6.0 2.9 -15.2 89 92 A G G > >S- 0 0 2 -2,-0.3 5,-1.5 1,-0.2 3,-1.4 -0.283 124.4 -10.3 67.2-147.6 7.0 3.5 -18.9 90 93 A V G > 5S+ 0 0 84 1,-0.3 3,-2.0 3,-0.2 -1,-0.2 0.861 133.8 57.6 -55.9 -41.1 9.7 1.4 -20.5 91 94 A E G < 5S+ 0 0 125 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.717 100.4 59.4 -65.9 -18.0 10.8 -0.1 -17.3 92 95 A A G < 5S- 0 0 45 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.316 132.2 -91.7 -90.6 7.5 7.3 -1.5 -16.8 93 96 A G T < 5S+ 0 0 70 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.579 82.1 138.9 95.9 10.7 7.6 -3.4 -20.0 94 97 A N < - 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