==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-APR-11 3RP7 . COMPND 2 MOLECULE: FLAVOPROTEIN MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR K.A.HICKS,S.E.O'LEARY,T.P.BEGLEY,S.E.EALICK . 389 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 26 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 29.8 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+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 1 0 2 1 2 0 0 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 1 1 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 1 0 2 3 2 0 0 1 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 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 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 -7 A E 0 0 206 0, 0.0 2,-0.8 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 -36.7 -7.6 -1.8 19.0 2 -6 A N > - 0 0 78 1,-0.1 3,-1.3 2,-0.0 6,-0.1 -0.903 360.0-158.9 -88.2 108.5 -10.2 1.0 19.5 3 -5 A L T 3 S+ 0 0 67 -2,-0.8 5,-0.1 1,-0.3 -1,-0.1 0.406 77.7 72.3 -79.4 0.6 -8.4 3.6 17.4 4 -4 A Y T 3 S+ 0 0 116 2,-0.1 -1,-0.3 4,-0.1 5,-0.1 0.721 74.0 103.4 -82.2 -22.4 -10.1 6.6 18.9 5 -3 A F S X S- 0 0 130 -3,-1.3 3,-2.2 1,-0.1 4,-0.3 -0.316 88.4 -93.3 -65.9 140.7 -8.2 6.3 22.2 6 -2 A Q T 3 S+ 0 0 92 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.282 113.3 21.8 -52.0 126.9 -5.3 8.7 22.8 7 -1 A G T 3 S+ 0 0 58 2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.390 98.8 93.8 95.1 -1.7 -2.1 7.1 21.7 8 0 A H S < S+ 0 0 79 -3,-2.2 2,-0.4 1,-0.2 -2,-0.1 0.569 82.7 49.6 -98.2 -12.1 -3.7 4.6 19.3 9 1 A X - 0 0 5 -4,-0.3 24,-1.7 22,-0.2 2,-0.5 -0.941 66.6-179.4-132.2 109.9 -3.4 6.8 16.2 10 2 A K E -a 33 0A 81 -2,-0.4 144,-2.4 22,-0.2 145,-1.7 -0.940 7.3-165.4-115.8 123.3 -0.1 8.4 15.3 11 3 A A E -ab 34 155A 0 22,-3.3 24,-2.3 -2,-0.5 2,-0.6 -0.887 9.7-149.8-103.9 133.1 0.4 10.6 12.3 12 4 A I E -ab 35 156A 0 143,-3.2 145,-3.1 -2,-0.5 2,-0.6 -0.915 13.2-164.1 -98.7 122.5 3.9 11.5 11.1 13 5 A V E -ab 36 157A 0 22,-2.4 24,-2.8 -2,-0.6 2,-0.6 -0.943 3.5-157.4-111.2 118.7 4.0 14.9 9.4 14 6 A I E +ab 37 158A 7 143,-2.9 145,-2.1 -2,-0.6 24,-0.2 -0.867 62.5 33.6 -98.7 119.0 7.0 15.7 7.3 15 7 A G - 0 0 6 22,-3.6 23,-0.2 -2,-0.6 22,-0.1 0.194 57.9-144.7 109.9 129.6 7.6 19.5 6.9 16 8 A A + 0 0 3 4,-0.2 22,-0.1 20,-0.1 -1,-0.1 -0.046 64.5 107.2-117.2 31.8 7.0 22.4 9.2 17 9 A G S > S- 0 0 21 142,-0.4 4,-2.1 99,-0.0 5,-0.4 -0.010 96.5 -65.0 -82.6-160.4 5.9 24.9 6.7 18 10 A I H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.913 135.8 46.4 -56.6 -45.9 2.4 26.2 6.1 19 11 A G H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.957 112.7 46.1 -63.6 -52.8 1.2 22.8 5.0 20 12 A G H > S+ 0 0 0 139,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.909 116.1 43.8 -61.3 -45.6 2.8 20.6 7.7 21 13 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.893 113.9 50.9 -70.6 -39.4 1.7 22.8 10.6 22 14 A S H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.4 -2,-0.2 0.924 112.1 48.2 -58.3 -45.2 -1.8 23.2 9.2 23 15 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.913 111.3 49.0 -64.3 -43.9 -2.1 19.5 8.7 24 16 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.912 111.9 48.8 -61.8 -44.4 -0.8 18.7 12.3 25 17 A V H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.925 114.1 46.7 -61.3 -43.2 -3.3 21.2 13.8 26 18 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.883 111.5 49.8 -68.2 -40.9 -6.1 19.7 11.8 27 19 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 3,-0.4 0.917 109.7 52.0 -64.4 -41.5 -5.3 16.2 12.6 28 20 A K H ><5S+ 0 0 134 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.913 103.8 57.1 -61.4 -44.5 -5.1 17.1 16.3 29 21 A Q H 3<5S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.831 106.3 51.3 -51.3 -36.6 -8.5 18.7 16.2 30 22 A S T 3<5S- 0 0 21 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.240 128.3-100.1 -90.7 13.9 -9.8 15.3 14.9 31 23 A G T < 5S+ 0 0 46 -3,-2.3 2,-0.5 1,-0.3 -3,-0.2 0.717 78.1 135.9 80.3 24.2 -8.1 13.5 17.8 32 24 A I < - 0 0 0 -5,-2.4 2,-0.4 -8,-0.1 -1,-0.3 -0.897 51.7-130.5-107.9 130.9 -5.0 12.3 16.0 33 25 A D E -a 10 0A 78 -24,-1.7 -22,-3.3 -2,-0.5 2,-0.4 -0.655 28.0-163.5 -77.7 128.4 -1.6 12.5 17.7 34 26 A C E -a 11 0A 12 -2,-0.4 2,-0.5 -24,-0.2 -22,-0.2 -0.937 19.1-162.5-119.0 137.7 1.1 14.1 15.4 35 27 A D E -a 12 0A 65 -24,-2.3 -22,-2.4 -2,-0.4 2,-0.5 -0.977 21.1-151.5-108.7 120.9 4.8 14.2 15.4 36 28 A V E -ac 13 125A 1 88,-1.3 90,-2.8 -2,-0.5 2,-0.4 -0.800 10.7-168.6 -98.3 130.2 6.2 16.9 13.2 37 29 A Y E -ac 14 126A 17 -24,-2.8 -22,-3.6 -2,-0.5 2,-0.4 -0.938 1.7-170.9-119.0 139.8 9.6 16.6 11.5 38 30 A E - 0 0 32 88,-2.6 91,-3.1 -2,-0.4 90,-0.4 -0.995 19.8-145.9-135.7 134.3 11.5 19.3 9.7 39 31 A A S S+ 0 0 27 -2,-0.4 91,-0.2 89,-0.3 -1,-0.1 0.933 77.8 71.0 -64.3 -50.7 14.6 19.2 7.6 40 32 A V S S- 0 0 61 88,-0.1 88,-1.6 89,-0.1 89,-0.3 -0.268 73.3-138.8 -72.3 156.1 16.2 22.5 8.4 41 33 A K S S+ 0 0 86 1,-0.3 2,-0.3 86,-0.2 -1,-0.1 0.746 89.3 19.7 -83.7 -25.1 17.8 23.2 11.8 42 34 A E S S- 0 0 72 85,-0.0 -1,-0.3 86,-0.0 2,-0.0 -0.997 89.0-101.7-148.3 142.9 16.3 26.7 11.9 43 35 A I 0 0 58 -2,-0.3 -26,-0.0 1,-0.2 67,-0.0 -0.289 360.0 360.0 -66.7 143.5 13.5 28.5 10.0 44 36 A K 0 0 150 -2,-0.0 -1,-0.2 -4,-0.0 69,-0.1 -0.326 360.0 360.0 174.5 360.0 14.2 30.8 7.1 45 ! 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 46 40 A A 0 0 39 0, 0.0 63,-2.1 0, 0.0 64,-0.6 0.000 360.0 360.0 360.0 -30.5 9.0 37.5 1.9 47 41 A A E -F 108 0B 17 61,-0.3 2,-0.4 62,-0.2 61,-0.2 -0.986 360.0-143.1-156.3 164.2 5.2 37.5 2.1 48 42 A I E -F 107 0B 24 59,-2.8 59,-2.8 -2,-0.3 2,-0.8 -0.998 16.0-136.8-133.5 133.2 2.0 35.6 1.3 49 43 A S E -F 106 0B 22 -2,-0.4 2,-1.0 57,-0.2 256,-0.2 -0.807 20.7-160.7 -85.6 109.4 -1.4 36.9 0.2 50 44 A V E -F 105 0B 2 55,-1.0 55,-3.1 -2,-0.8 252,-0.1 -0.784 10.4-158.8 -95.1 100.4 -4.0 34.9 2.2 51 45 A W >> - 0 0 15 -2,-1.0 4,-2.2 250,-0.5 3,-0.7 -0.146 36.8 -89.4 -71.3 170.4 -7.3 35.3 0.4 52 46 A P H 3> S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.780 124.9 60.2 -56.7 -31.4 -10.6 34.7 2.2 53 47 A N H 3> S+ 0 0 5 1,-0.2 4,-1.2 2,-0.2 336,-0.1 0.931 111.9 40.5 -60.3 -43.4 -10.7 30.9 1.3 54 48 A G H <> S+ 0 0 0 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.879 112.3 55.6 -69.5 -39.4 -7.4 30.6 3.2 55 49 A V H X S+ 0 0 15 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.939 107.5 48.3 -60.4 -47.5 -8.5 32.9 6.0 56 50 A K H X S+ 0 0 35 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.838 110.4 53.2 -63.0 -33.3 -11.6 30.9 6.7 57 51 A C H X S+ 0 0 0 -4,-1.2 4,-2.1 -5,-0.2 -2,-0.2 0.947 109.1 47.7 -63.7 -49.1 -9.5 27.7 6.8 58 52 A X H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 6,-0.4 0.907 113.3 49.2 -57.6 -42.8 -7.2 29.3 9.3 59 53 A A H ><5S+ 0 0 55 -4,-2.7 3,-1.5 4,-0.3 5,-0.4 0.923 109.8 51.2 -61.4 -46.2 -10.2 30.3 11.4 60 54 A H H 3<5S+ 0 0 112 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.836 107.5 54.0 -57.8 -36.3 -11.6 26.8 11.1 61 55 A L T 3<5S- 0 0 1 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.452 122.3-105.1 -81.3 -2.6 -8.3 25.4 12.3 62 56 A G T < 5S+ 0 0 38 -3,-1.5 3,-0.3 -4,-0.3 -3,-0.2 0.533 97.7 104.7 92.3 8.6 -8.4 27.6 15.4 63 57 A X >>< + 0 0 3 -5,-2.8 4,-0.9 -6,-0.2 3,-0.9 0.088 33.7 117.6-111.9 20.7 -5.7 29.9 14.1 64 58 A G H 3> + 0 0 22 -6,-0.4 4,-2.4 -5,-0.4 5,-0.2 0.800 67.1 64.5 -58.7 -33.6 -8.0 32.9 13.2 65 59 A D H 3> S+ 0 0 135 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.845 96.5 57.9 -62.1 -34.7 -6.3 35.2 15.6 66 60 A I H <> S+ 0 0 16 -3,-0.9 4,-2.3 2,-0.2 5,-0.4 0.925 109.3 44.8 -58.4 -45.2 -3.0 35.0 13.7 67 61 A X H X S+ 0 0 2 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.955 114.4 46.8 -66.8 -51.6 -4.8 36.2 10.6 68 62 A E H < S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 117.5 44.9 -53.5 -46.0 -6.6 39.1 12.3 69 63 A T H < S+ 0 0 98 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.879 126.4 23.3 -70.6 -43.2 -3.5 40.2 14.1 70 64 A F H < S+ 0 0 36 -4,-2.3 147,-0.4 -5,-0.2 38,-0.3 0.592 89.4 114.5-107.0 -13.0 -0.9 40.1 11.4 71 65 A G < - 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0 0 52 1,-0.1 -5,-2.3 -6,-0.1 2,-0.3 -0.506 60.2 -91.7 -86.2 153.1 -1.8 56.6 -13.8 87 81 A N E +G 80 0C 95 -7,-0.2 -7,-0.2 1,-0.2 3,-0.2 -0.458 35.5 178.2 -64.2 122.2 -4.7 54.5 -12.7 88 82 A X E S- 0 0 26 -9,-3.3 2,-0.3 1,-0.5 -1,-0.2 0.798 79.6 -9.2 -87.5 -39.3 -6.0 52.1 -15.4 89 83 A T E +G 79 0C 8 -10,-1.3 -10,-2.0 -3,-0.1 -1,-0.5 -0.970 68.2 177.5-154.1 147.4 -8.5 50.7 -13.0 90 84 A Q E +G 78 0C 50 -2,-0.3 2,-0.3 281,-0.3 -12,-0.2 -0.978 12.2 147.3-152.6 143.3 -9.1 51.1 -9.2 91 85 A F E -G 77 0C 28 -14,-2.1 -14,-2.6 -2,-0.3 2,-0.2 -0.977 41.4 -98.5-171.7 157.6 -11.7 49.7 -6.8 92 86 A S E -G 76 0C 59 -2,-0.3 -16,-0.3 -16,-0.3 4,-0.1 -0.497 17.9-140.3 -86.0 157.6 -12.4 48.5 -3.3 93 87 A L S >> S+ 0 0 0 -18,-3.3 4,-2.2 1,-0.2 3,-1.1 0.409 73.7 109.0 -94.7 1.8 -12.5 44.9 -2.3 94 88 A A H 3> S+ 0 0 58 -19,-0.6 4,-1.7 1,-0.3 -1,-0.2 0.867 75.7 53.1 -45.3 -47.8 -15.5 45.5 0.0 95 89 A P H 3> S+ 0 0 65 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.857 109.1 49.2 -59.4 -36.1 -17.8 43.6 -2.3 96 90 A L H <> S+ 0 0 5 -3,-1.1 4,-2.2 1,-0.2 5,-0.3 0.902 108.5 53.0 -69.0 -41.6 -15.5 40.6 -2.4 97 91 A I H X S+ 0 0 49 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.808 109.9 49.4 -63.2 -30.6 -15.3 40.6 1.4 98 92 A E H < S+ 0 0 162 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.896 113.8 43.7 -76.0 -42.4 -19.1 40.6 1.6 99 93 A R H < S+ 0 0 141 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.818 121.6 38.4 -70.8 -32.3 -19.6 37.7 -0.8 100 94 A T H < S- 0 0 3 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.632 101.5-126.9-100.5 -16.2 -16.8 35.5 0.7 101 95 A G S < S+ 0 0 59 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.1 0.448 76.2 65.8 90.1 0.6 -17.2 36.2 4.4 102 96 A S S S- 0 0 25 -6,-0.2 -2,-0.2 -5,-0.1 -1,-0.1 -0.986 77.0-112.0-148.9 157.8 -13.7 37.3 5.3 103 97 A R - 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