==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-DEC-09 3KX3 . COMPND 2 MOLECULE: BIFUNCTIONAL P-450/NADPH-P450 REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR H.M.GIRVAN,C.W.LEVY,D.LEYS,A.W.MUNRO . 910 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 43 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 367 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 4 2 0 4 0 0 4 0 2 2 4 0 4 0 4 0 0 0 0 2 0 0 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 4 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 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 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 3 A K 0 0 91 0, 0.0 2,-0.2 0, 0.0 340,-0.0 0.000 360.0 360.0 360.0 136.4 14.7 31.9 25.6 2 4 A E - 0 0 99 1,-0.1 340,-0.0 340,-0.1 0, 0.0 -0.578 360.0-116.2 -74.9 142.9 14.6 29.7 28.8 3 5 A M - 0 0 40 -2,-0.2 35,-0.1 1,-0.1 -1,-0.1 -0.629 21.9-120.3 -86.4 131.0 14.1 26.1 27.9 4 6 A P - 0 0 45 0, 0.0 35,-2.8 0, 0.0 -1,-0.1 -0.272 32.7-172.3 -59.2 157.3 11.0 24.2 29.0 5 7 A Q - 0 0 68 33,-0.2 35,-0.1 35,-0.0 3,-0.1 -0.980 20.2-117.5-153.6 137.6 11.6 21.2 31.3 6 8 A P - 0 0 16 0, 0.0 11,-0.0 0, 0.0 33,-0.0 -0.101 54.0 -58.0 -75.1-178.7 9.2 18.5 32.6 7 9 A K - 0 0 150 1,-0.1 2,-0.2 7,-0.1 10,-0.2 -0.148 56.0-135.8 -65.8 154.3 8.3 17.9 36.2 8 10 A T - 0 0 85 -3,-0.1 6,-0.2 8,-0.1 3,-0.1 -0.641 14.0-149.7-115.8 165.7 11.0 17.1 38.8 9 11 A F > - 0 0 83 4,-1.9 3,-1.9 1,-0.4 4,-0.1 -0.542 52.0-100.0-127.8 56.9 11.5 14.7 41.7 10 12 A G G > S- 0 0 58 1,-0.3 3,-1.9 2,-0.2 -1,-0.4 -0.343 99.9 -2.0 64.9-132.4 13.8 16.6 44.1 11 13 A E G 3 S+ 0 0 179 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.556 130.0 64.7 -75.7 -5.9 17.4 15.6 43.8 12 14 A L G X S- 0 0 72 -3,-1.9 3,-2.1 1,-0.3 -1,-0.3 0.504 85.8-170.2 -89.4 -2.3 16.6 13.0 41.2 13 15 A K T < - 0 0 75 -3,-1.9 -4,-1.9 1,-0.3 -1,-0.3 -0.286 64.2 -20.6 51.5-126.0 15.5 15.9 38.9 14 16 A N T > S+ 0 0 0 27,-2.4 3,-2.3 -6,-0.2 4,-0.4 0.484 108.9 104.5 -88.7 -4.1 13.8 14.4 35.8 15 17 A L G X S+ 0 0 7 -3,-2.1 3,-2.5 26,-0.4 4,-0.2 0.845 70.4 59.3 -52.1 -41.2 15.2 10.9 36.1 16 18 A P G > S+ 0 0 29 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 0.677 86.9 76.5 -68.7 -11.9 12.2 9.1 37.5 17 19 A L G < S+ 0 0 33 -3,-2.3 -2,-0.2 1,-0.3 170,-0.1 0.714 91.7 56.7 -63.8 -21.0 10.2 10.1 34.4 18 20 A L G < S+ 0 0 11 -3,-2.5 2,-2.2 -4,-0.4 -1,-0.3 0.419 77.0 102.8 -86.5 3.7 12.2 7.3 32.7 19 21 A N < + 0 0 111 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.1 -0.539 62.7 93.4 -85.7 73.0 10.9 4.8 35.2 20 22 A T S S- 0 0 51 -2,-2.2 167,-0.1 164,-0.0 -3,-0.0 -0.963 82.0-122.9-155.0 153.9 8.4 3.4 32.8 21 23 A D S S+ 0 0 114 -2,-0.3 411,-0.6 1,-0.2 -2,-0.1 0.537 111.0 50.5 -82.8 -4.0 8.5 0.4 30.4 22 24 A K > + 0 0 60 1,-0.1 4,-2.1 409,-0.1 -1,-0.2 -0.495 64.2 156.2-128.7 69.8 7.7 2.9 27.5 23 25 A P H > S+ 0 0 9 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.853 72.4 51.8 -65.7 -41.6 10.2 5.7 27.9 24 26 A V H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.942 110.3 48.6 -64.3 -40.0 10.1 6.9 24.3 25 27 A Q H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.896 110.2 52.9 -67.5 -31.4 6.3 7.2 24.3 26 28 A A H X S+ 0 0 31 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.901 109.3 48.8 -66.0 -40.1 6.6 9.1 27.6 27 29 A L H X S+ 0 0 11 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.855 107.1 55.3 -67.8 -36.3 9.1 11.5 26.0 28 30 A M H X S+ 0 0 14 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.902 107.5 50.0 -60.7 -40.1 6.8 12.0 23.1 29 31 A K H X S+ 0 0 137 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.898 110.6 49.7 -67.2 -41.8 4.0 13.0 25.5 30 32 A I H X S+ 0 0 14 -4,-2.2 4,-3.2 2,-0.2 3,-0.5 0.937 109.4 51.0 -58.6 -45.8 6.3 15.5 27.1 31 33 A A H X S+ 0 0 3 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.918 107.1 55.4 -60.6 -37.0 7.3 16.9 23.7 32 34 A D H < S+ 0 0 115 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 115.3 38.0 -59.2 -35.4 3.6 17.3 23.0 33 35 A E H < S+ 0 0 124 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.860 127.1 33.4 -84.1 -40.4 3.1 19.3 26.2 34 36 A L H < S- 0 0 54 -4,-3.2 3,-0.3 1,-0.3 2,-0.2 0.678 100.7-136.8-102.0 -19.0 6.3 21.3 26.1 35 37 A G < - 0 0 31 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.1 -0.628 52.3 -13.3 105.0-155.2 7.0 21.8 22.4 36 38 A E S S+ 0 0 53 -2,-0.2 15,-2.5 1,-0.1 16,-0.8 0.662 124.0 20.2 -73.2 -16.4 9.9 21.7 20.0 37 39 A I E +A 50 0A 2 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.977 62.3 168.7-149.8 136.1 12.7 21.6 22.6 38 40 A F E -A 49 0A 0 11,-1.9 11,-2.6 -2,-0.3 2,-0.3 -0.997 29.2-122.4-144.5 155.5 13.0 20.7 26.3 39 41 A K E -A 48 0A 66 -35,-2.8 2,-0.5 -2,-0.3 9,-0.2 -0.692 19.0-165.2 -92.6 143.5 15.7 20.1 28.8 40 42 A F E -A 47 0A 4 7,-2.9 7,-2.6 -2,-0.3 2,-0.4 -0.978 10.5-169.6-130.1 120.1 15.9 16.8 30.6 41 43 A E E +A 46 0A 56 -2,-0.5 -27,-2.4 5,-0.2 -26,-0.4 -0.868 11.4 171.7-114.8 141.5 18.1 16.7 33.7 42 44 A A E > -A 45 0A 5 3,-2.9 3,-2.1 -2,-0.4 -29,-0.1 -0.872 56.9 -64.6-131.5 168.5 19.3 13.7 35.8 43 45 A P T 3 S- 0 0 61 0, 0.0 -31,-0.1 0, 0.0 3,-0.0 -0.388 124.0 -6.4 -55.9 124.4 21.9 13.7 38.5 44 46 A G T 3 S+ 0 0 91 1,-0.1 2,-0.3 -2,-0.0 -3,-0.0 0.525 124.4 80.4 68.0 5.7 25.2 14.6 36.8 45 47 A R E < -A 42 0A 68 -3,-2.1 -3,-2.9 2,-0.0 2,-0.4 -1.000 48.6-177.2-144.3 144.2 23.7 14.6 33.2 46 48 A V E +A 41 0A 46 -2,-0.3 303,-0.5 -5,-0.2 2,-0.3 -1.000 5.6 172.6-132.9 142.3 21.7 16.9 31.0 47 49 A T E -A 40 0A 11 -7,-2.6 -7,-2.9 -2,-0.4 2,-0.5 -0.965 23.4-136.4-138.6 163.4 20.3 16.4 27.5 48 50 A R E -Ab 39 350A 21 301,-1.2 303,-2.7 -2,-0.3 2,-0.5 -0.982 15.8-144.1-120.9 128.1 18.0 18.5 25.3 49 51 A Y E -Ab 38 351A 24 -11,-2.6 -11,-1.9 -2,-0.5 2,-0.4 -0.791 13.8-159.9 -98.8 127.1 15.2 16.8 23.3 50 52 A L E +Ab 37 352A 0 301,-2.8 303,-2.6 -2,-0.5 307,-0.2 -0.852 22.6 161.8-106.0 137.2 14.4 18.2 19.9 51 53 A S + 0 0 10 -15,-2.5 2,-0.3 -2,-0.4 308,-0.2 0.446 47.8 84.6-130.0 -11.4 11.1 17.6 18.1 52 54 A S > - 0 0 13 -16,-0.8 4,-2.6 1,-0.1 3,-0.4 -0.781 68.9-134.2-103.0 153.2 10.7 20.3 15.3 53 55 A Q H > S+ 0 0 22 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.835 104.8 63.9 -66.7 -28.8 12.2 20.1 11.9 54 56 A R H > S+ 0 0 75 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.903 113.2 30.8 -68.4 -36.3 13.3 23.6 12.2 55 57 A L H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 3,-0.3 0.836 117.0 56.5 -86.9 -32.8 15.7 22.8 15.1 56 58 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.3 -2,-0.2 0.847 99.9 60.4 -67.6 -34.3 16.6 19.3 14.0 57 59 A K H < S+ 0 0 90 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.866 107.5 46.5 -61.6 -35.3 17.7 20.6 10.6 58 60 A E H >< S+ 0 0 41 -4,-0.5 3,-1.6 -3,-0.3 -2,-0.2 0.899 108.6 53.2 -70.7 -41.4 20.3 22.6 12.4 59 61 A A H 3< S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.781 101.8 62.2 -59.3 -29.9 21.3 19.7 14.6 60 62 A C T 3< S+ 0 0 5 -4,-1.8 2,-0.9 -5,-0.1 -1,-0.2 0.435 74.9 110.0 -75.5 -3.0 21.9 17.7 11.3 61 63 A D X> - 0 0 66 -3,-1.6 4,-2.0 1,-0.2 3,-1.8 -0.633 57.1-160.1 -73.1 106.1 24.6 20.2 10.2 62 64 A E T 34 S+ 0 0 84 -2,-0.9 -1,-0.2 1,-0.3 -3,-0.0 0.651 85.7 65.7 -69.4 -14.0 27.7 18.1 10.5 63 65 A S T 34 S+ 0 0 87 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.748 116.3 29.2 -75.5 -18.6 30.0 21.1 10.6 64 66 A R T <4 S+ 0 0 54 -3,-1.8 269,-3.1 1,-0.2 270,-0.6 0.717 124.9 31.6-109.9 -25.0 28.4 22.0 14.0 65 67 A F E < -C 332 0A 4 -4,-2.0 2,-0.3 267,-0.2 -1,-0.2 -0.984 58.2-163.7-136.7 149.2 27.3 18.6 15.6 66 68 A D E -C 331 0A 19 265,-2.0 265,-2.6 -2,-0.3 2,-0.1 -0.847 42.1 -77.5-126.2 158.7 28.6 15.1 15.5 67 69 A K E -C 330 0A 31 -2,-0.3 22,-0.4 263,-0.2 2,-0.3 -0.334 48.9-159.4 -52.0 133.6 27.0 11.8 16.5 68 70 A N E -C 329 0A 6 261,-2.6 2,-0.9 282,-0.2 261,-0.5 -0.806 21.5-119.9-111.8 149.5 26.9 11.3 20.3 69 71 A L - 0 0 2 -2,-0.3 261,-0.1 259,-0.1 17,-0.1 -0.863 33.1-145.8 -85.2 108.8 26.5 8.1 22.2 70 72 A S > - 0 0 17 -2,-0.9 4,-2.6 1,-0.1 5,-0.2 -0.171 32.0 -98.9 -59.1 167.5 23.4 8.6 24.2 71 73 A Q H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.900 127.6 57.1 -60.8 -31.9 23.4 7.0 27.6 72 74 A A H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.942 108.4 45.0 -63.4 -47.6 21.3 4.1 25.9 73 75 A L H > S+ 0 0 28 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.846 107.6 58.5 -69.6 -33.4 24.1 3.6 23.3 74 76 A K H < S+ 0 0 69 -4,-2.6 4,-0.5 2,-0.2 -1,-0.3 0.880 108.0 46.3 -58.6 -37.8 26.7 3.7 26.0 75 77 A F H >< S+ 0 0 27 -4,-1.8 3,-0.9 -3,-0.2 4,-0.3 0.860 110.7 52.3 -68.2 -37.5 25.0 0.8 27.7 76 78 A V H >X S+ 0 0 16 -4,-2.0 4,-3.0 1,-0.2 3,-2.6 0.871 97.9 67.4 -63.9 -33.6 24.7 -1.1 24.4 77 79 A R H 3X S+ 0 0 65 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.779 80.7 77.9 -62.3 -21.4 28.4 -0.5 24.0 78 80 A D H <4 S+ 0 0 89 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.803 116.7 15.7 -55.4 -27.7 28.9 -2.9 26.9 79 81 A F H <4 S+ 0 0 3 -3,-2.6 -2,-0.2 -4,-0.3 -1,-0.2 0.598 130.6 49.7-118.5 -15.1 28.3 -5.6 24.5 80 82 A A H >< S- 0 0 4 -4,-3.0 3,-1.9 1,-0.2 6,-0.3 0.572 81.0-177.4 -97.2 -5.0 28.6 -3.9 21.1 81 83 A G T 3< - 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