==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-DEC-08 3FMW . COMPND 2 MOLECULE: OXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ARGILLACEUS; . AUTHOR N.NOINAJ,M.P.BEAM,C.WANG,J.ROHR . 1450 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 875 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 12.7 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 3 0.2 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 . 101 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 348 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.0 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 6 6 0 3 3 0 0 3 9 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 RESIDUES PER ALPHA HELIX . 3 3 6 6 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 . 19 9 9 6 0 3 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 . 6 0 9 0 3 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 14 A D 0 0 101 0, 0.0 147,-1.4 0, 0.0 146,-1.3 0.000 360.0 360.0 360.0 -82.5 32.8 -19.1 50.4 2 15 A V E -ab 25 148A 2 22,-1.2 24,-1.7 145,-0.2 2,-0.6 -0.996 360.0-157.2-135.2 131.2 32.5 -17.9 46.9 3 16 A V E -ab 26 149A 9 145,-2.6 147,-1.5 -2,-0.4 2,-0.4 -0.916 7.3-166.5-114.7 111.9 29.6 -16.1 45.2 4 17 A V E -ab 27 150A 0 22,-2.2 24,-2.0 -2,-0.6 2,-0.8 -0.795 13.4-142.4 -96.7 135.1 29.2 -16.3 41.4 5 18 A V E +ab 28 151A 12 145,-2.9 147,-1.9 -2,-0.4 24,-0.2 -0.841 64.7 42.6-103.5 106.2 26.8 -13.8 39.7 6 19 A G - 0 0 7 22,-1.5 23,-0.2 -2,-0.8 147,-0.1 0.075 57.9-139.4 128.5 121.9 24.9 -15.3 36.8 7 20 A G + 0 0 9 4,-0.1 22,-0.1 20,-0.1 146,-0.1 0.101 66.6 122.2 -90.7 21.9 23.0 -18.5 36.1 8 21 A G S > S- 0 0 20 144,-0.6 4,-2.6 -3,-0.1 5,-0.2 -0.083 84.2 -89.2 -70.8 178.9 24.4 -18.6 32.6 9 22 A P H > S+ 0 0 11 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.983 128.8 49.0 -52.9 -63.7 26.4 -21.4 31.2 10 23 A V H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.839 112.9 49.7 -43.1 -43.7 29.7 -20.0 32.3 11 24 A G H > S+ 0 0 0 141,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.921 111.3 46.1 -67.0 -46.8 28.3 -19.4 35.8 12 25 A L H X S+ 0 0 9 -4,-2.6 4,-2.2 -3,-0.3 -2,-0.2 0.931 113.6 50.3 -60.7 -47.3 26.9 -22.9 36.2 13 26 A M H X S+ 0 0 6 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.958 109.5 50.2 -53.9 -54.0 30.2 -24.4 35.0 14 27 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.852 107.8 55.3 -55.8 -37.1 32.2 -22.3 37.4 15 28 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.942 107.9 48.3 -60.1 -49.1 29.9 -23.5 40.2 16 29 A G H X S+ 0 0 3 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.924 110.2 50.3 -57.0 -49.3 30.6 -27.1 39.4 17 30 A E H X S+ 0 0 5 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.790 108.9 53.4 -62.5 -29.6 34.4 -26.7 39.2 18 31 A L H <>S+ 0 0 0 -4,-1.5 5,-1.9 -5,-0.2 -1,-0.2 0.869 113.0 42.3 -73.0 -37.7 34.3 -24.9 42.6 19 32 A R H ><5S+ 0 0 92 -4,-1.8 3,-2.1 3,-0.2 -2,-0.2 0.902 111.5 54.2 -73.0 -42.9 32.4 -27.8 44.2 20 33 A A H 3<5S+ 0 0 46 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.737 108.0 54.0 -59.8 -21.0 34.5 -30.3 42.5 21 34 A G T 3<5S- 0 0 19 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.363 124.8-103.1 -97.3 3.3 37.4 -28.4 44.0 22 35 A G T < 5S+ 0 0 45 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.853 80.5 119.9 81.4 38.2 36.0 -28.7 47.6 23 36 A V < - 0 0 2 -5,-1.9 2,-0.3 -6,-0.0 -1,-0.3 -0.980 67.1-105.4-135.4 145.6 34.6 -25.2 48.0 24 37 A G - 0 0 21 -2,-0.3 -22,-1.2 274,-0.1 2,-0.4 -0.517 37.1-160.8 -70.8 130.6 31.1 -23.8 48.7 25 38 A A E -ac 2 113A 9 87,-0.5 89,-0.9 -2,-0.3 2,-0.4 -0.938 11.4-172.8-119.6 136.7 29.5 -22.3 45.6 26 39 A L E -ac 3 114A 55 -24,-1.7 -22,-2.2 -2,-0.4 2,-0.6 -0.963 4.1-166.9-130.4 116.2 26.6 -19.8 45.4 27 40 A V E -a 4 0A 1 87,-2.4 2,-0.6 -2,-0.4 -22,-0.2 -0.897 1.6-168.9-105.4 120.0 25.0 -18.8 42.2 28 41 A L E -a 5 0A 12 -24,-2.0 -22,-1.5 -2,-0.6 2,-0.5 -0.934 11.2-166.7-106.7 113.8 22.6 -15.8 42.1 29 42 A E B -f 117 0B 31 87,-1.7 89,-2.6 -2,-0.6 90,-2.4 -0.881 17.8-146.7-106.8 127.4 20.8 -15.6 38.8 30 43 A K S S+ 0 0 57 -2,-0.5 90,-0.3 88,-0.2 -1,-0.2 0.962 80.5 58.8 -50.8 -65.9 18.8 -12.5 37.7 31 44 A L - 0 0 90 87,-0.1 88,-0.3 88,-0.1 87,-0.2 -0.088 66.6-151.7 -65.9 166.8 16.0 -14.2 35.8 32 45 A V S S+ 0 0 105 1,-0.3 -1,-0.1 86,-0.2 85,-0.1 0.757 85.5 43.8-109.6 -41.2 13.7 -16.8 37.3 33 46 A E S S- 0 0 76 2,-0.0 -1,-0.3 85,-0.0 -2,-0.0 -0.920 94.4-122.8-109.5 106.4 12.7 -19.0 34.3 34 47 A P - 0 0 93 0, 0.0 2,-0.4 0, 0.0 -26,-0.0 -0.098 27.6-166.8 -49.9 139.4 15.9 -19.7 32.3 35 48 A V + 0 0 57 1,-0.1 -4,-0.0 2,-0.0 3,-0.0 -0.895 29.6 143.9-137.4 106.6 15.7 -18.6 28.6 36 49 A G + 0 0 5 -2,-0.4 2,-0.1 1,-0.1 -1,-0.1 0.836 28.0 126.3 -99.3 -55.2 18.2 -19.7 26.0 37 50 A H S S+ 0 0 86 2,-0.1 3,-0.4 59,-0.1 61,-0.2 -0.013 70.7 45.1 32.3 -89.2 16.1 -20.1 22.9 38 51 A D S S+ 0 0 10 1,-0.2 60,-0.2 -2,-0.1 3,-0.1 -0.017 94.4 57.2 -63.4 179.5 18.2 -17.9 20.6 39 52 A R S S- 0 0 92 1,-0.2 -1,-0.2 58,-0.1 58,-0.2 0.656 79.6-160.0 67.9 14.8 22.0 -18.2 20.5 40 53 A A - 0 0 81 -3,-0.4 -1,-0.2 56,-0.1 -2,-0.1 0.045 22.1-126.6 -30.2 123.0 21.5 -21.9 19.6 41 54 A G - 0 0 20 54,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.029 28.7-167.4 -90.7 179.5 24.9 -23.4 20.6 42 55 A A - 0 0 29 52,-0.2 2,-0.6 238,-0.1 52,-0.2 -0.748 12.8-150.4-167.8 111.5 27.8 -25.4 19.3 43 56 A L B -G 93 0C 3 50,-3.1 50,-3.5 -2,-0.2 238,-0.1 -0.782 17.9-154.5 -97.0 114.9 30.6 -26.9 21.3 44 57 A H > - 0 0 19 -2,-0.6 4,-2.9 48,-0.3 3,-0.3 -0.114 32.9 -84.1 -84.3-178.7 34.0 -27.3 19.5 45 58 A I H > S+ 0 0 0 1,-0.2 4,-4.2 2,-0.2 5,-0.3 0.911 121.7 47.4 -58.6 -59.9 36.8 -29.7 20.1 46 59 A R H > S+ 0 0 14 321,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.851 117.4 47.5 -52.2 -35.9 38.9 -28.2 22.9 47 60 A T H > S+ 0 0 0 320,-0.5 4,-2.6 -3,-0.3 -1,-0.2 0.955 113.6 45.9 -66.7 -52.0 35.6 -27.6 24.7 48 61 A V H X S+ 0 0 3 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.925 112.0 52.0 -55.9 -48.8 34.4 -31.1 24.1 49 62 A E H X S+ 0 0 7 -4,-4.2 4,-1.0 1,-0.2 3,-0.3 0.906 110.1 50.4 -50.9 -44.7 37.9 -32.4 25.2 50 63 A T H >< S+ 0 0 5 -4,-1.9 3,-0.6 -5,-0.3 4,-0.4 0.902 105.4 54.7 -61.8 -44.3 37.4 -30.3 28.3 51 64 A L H ><>S+ 0 0 2 -4,-2.6 5,-2.0 1,-0.2 6,-1.0 0.795 101.6 60.1 -60.5 -29.0 34.0 -31.7 29.1 52 65 A D H ><5S+ 0 0 19 -4,-1.5 3,-1.6 -3,-0.3 -1,-0.2 0.849 94.9 61.9 -68.1 -34.0 35.5 -35.2 28.9 53 66 A L T <<5S+ 0 0 2 -4,-1.0 358,-0.3 -3,-0.6 -1,-0.3 0.633 109.8 43.0 -63.5 -14.2 37.9 -34.2 31.8 54 67 A R T < 5S- 0 0 22 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.213 110.0-119.4-117.4 11.6 34.7 -33.8 33.8 55 68 A G T < 5S+ 0 0 24 -3,-1.6 4,-0.3 350,-0.2 3,-0.2 0.632 86.2 115.3 58.8 12.7 32.8 -36.9 32.7 56 69 A L >>< + 0 0 8 -5,-2.0 3,-0.8 1,-0.2 4,-0.8 0.682 51.5 79.0 -83.2 -19.7 30.2 -34.5 31.4 57 70 A L H >> S+ 0 0 8 -6,-1.0 3,-1.2 1,-0.3 4,-1.0 0.880 85.7 59.0 -58.3 -42.7 30.8 -35.4 27.7 58 71 A D H 34 S+ 0 0 122 1,-0.3 3,-0.4 -3,-0.2 -1,-0.3 0.848 104.5 52.4 -53.6 -36.7 28.7 -38.6 28.0 59 72 A R H <4 S+ 0 0 167 -3,-0.8 3,-0.4 -4,-0.3 -1,-0.3 0.680 107.6 50.2 -76.0 -20.4 25.7 -36.5 29.0 60 73 A F H X< S+ 0 0 3 -3,-1.2 3,-0.8 -4,-0.8 -1,-0.2 0.594 93.9 74.0 -93.5 -12.7 25.9 -34.2 26.0 61 74 A L T 3< S+ 0 0 63 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.1 0.333 71.9 81.8 -89.4 6.3 26.1 -36.9 23.4 62 75 A E T 3 S+ 0 0 82 -3,-0.4 2,-0.5 2,-0.1 -1,-0.2 0.799 85.8 69.7 -74.5 -31.1 22.4 -37.9 23.6 63 76 A G S < S- 0 0 22 -3,-0.8 2,-1.8 -4,-0.1 31,-0.1 -0.772 104.5-110.6 -84.6 130.7 21.9 -34.9 21.3 64 77 A T - 0 0 80 -2,-0.5 -3,-0.1 29,-0.1 -2,-0.1 -0.419 41.9-179.1 -70.2 85.3 23.3 -35.6 17.9 65 78 A Q + 0 0 13 -2,-1.8 2,-0.3 -5,-0.1 28,-0.2 0.187 15.7 145.7 -56.6-161.1 26.3 -33.4 17.5 66 79 A V B +H 92 0D 34 26,-2.3 26,-0.7 1,-0.3 28,-0.1 -0.928 13.7 122.7 143.1-172.5 28.1 -33.6 14.2 67 80 A A - 0 0 24 -2,-0.3 25,-1.4 24,-0.1 -1,-0.3 0.640 38.6-152.3 75.1 115.7 30.1 -31.5 11.7 68 81 A K S S- 0 0 50 1,-0.3 14,-1.4 23,-0.2 15,-0.5 0.070 74.0-123.3-117.4 27.2 33.5 -32.8 11.1 69 82 A G B +I 81 0E 21 12,-0.3 -1,-0.3 1,-0.2 12,-0.2 -0.791 64.7 116.0-169.2 -75.4 33.3 -29.8 10.7 70 83 A L + 0 0 39 10,-1.0 -1,-0.2 -2,-0.2 2,-0.1 0.099 12.6 141.3 58.1-176.4 33.5 -26.4 8.9 71 84 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.587 25.2-165.1 -89.6-143.6 32.6 -23.9 7.6 72 85 A F B > -J 75 0F 11 3,-0.6 3,-1.6 -2,-0.1 6,-0.1 -0.710 67.3 -22.3-166.7 108.8 34.4 -20.5 7.8 73 86 A A T 3 S- 0 0 3 1,-0.3 3,-0.1 -2,-0.2 205,-0.0 0.887 121.6 -55.7 59.2 41.0 33.2 -17.0 7.0 74 87 A G T 3 S+ 0 0 15 1,-0.2 2,-0.9 261,-0.1 -1,-0.3 0.560 104.3 133.8 69.3 8.1 30.5 -18.3 4.7 75 88 A I B < +J 72 0F 7 -3,-1.6 -3,-0.6 1,-0.2 -1,-0.2 -0.812 19.2 160.8 -93.1 105.3 33.1 -20.3 2.6 76 89 A F > + 0 0 120 -2,-0.9 3,-0.9 -5,-0.1 -1,-0.2 0.817 56.6 74.6 -97.7 -36.5 31.6 -23.7 2.2 77 90 A T T 3 S+ 0 0 101 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.844 113.7 26.6 -44.6 -40.8 33.5 -25.2 -0.8 78 91 A Q T 3 S- 0 0 76 -6,-0.1 -1,-0.3 3,-0.0 3,-0.1 -0.665 86.7-177.7-129.1 75.1 36.5 -25.7 1.5 79 92 A G < - 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0 0 1 -2,-2.4 -54,-0.2 -55,-0.0 5,-0.1 -0.915 45.7-123.0-115.0 111.3 24.1 -28.7 21.6 96 109 A P > - 0 0 60 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.177 20.9-124.9 -51.3 137.5 21.5 -25.9 21.9 97 110 A Q H > S+ 0 0 29 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.863 111.3 58.3 -56.5 -37.2 22.6 -23.5 24.7 98 111 A S H > S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.939 109.4 42.8 -56.1 -49.6 19.2 -24.0 26.4 99 112 A R H > S+ 0 0 73 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.859 112.3 56.3 -63.5 -35.7 19.9 -27.7 26.6 100 113 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.953 106.7 46.7 -63.6 -50.7 23.5 -26.9 27.7 101 114 A E H X S+ 0 0 25 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.899 108.1 59.1 -56.7 -41.8 22.4 -24.8 30.6 102 115 A A H X S+ 0 0 58 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.927 109.9 41.7 -52.1 -49.9 19.9 -27.5 31.6 103 116 A L H X S+ 0 0 36 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.953 114.2 49.7 -64.4 -52.6 22.7 -30.0 32.0 104 117 A L H X S+ 0 0 4 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.846 111.5 50.1 -58.3 -37.1 25.2 -27.7 33.7 105 118 A A H X S+ 0 0 35 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.955 109.4 50.3 -65.1 -51.1 22.6 -26.6 36.2 106 119 A E H X S+ 0 0 58 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.856 110.6 51.4 -54.3 -38.1 21.6 -30.2 37.0 107 120 A H H X S+ 0 0 65 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.889 111.3 45.5 -68.8 -40.3 25.3 -31.0 37.6 108 121 A A H X>S+ 0 0 0 -4,-1.8 5,-1.2 2,-0.2 4,-0.8 0.845 108.0 58.0 -73.2 -35.3 25.8 -28.1 40.0 109 122 A R H ><5S+ 0 0 79 -4,-2.6 3,-1.1 1,-0.2 4,-0.3 0.963 111.4 41.3 -54.6 -53.5 22.6 -28.9 41.9 110 123 A E H 3<5S+ 0 0 91 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.691 108.1 62.6 -70.2 -19.9 23.9 -32.5 42.6 111 124 A A H 3<5S- 0 0 32 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.632 121.6-102.3 -82.0 -14.4 27.4 -31.1 43.3 112 125 A G T <<5S+ 0 0 41 -3,-1.1 -87,-0.5 -4,-0.8 2,-0.4 0.901 72.3 136.0 95.7 52.7 26.1 -29.1 46.3 113 126 A A E < -c 25 0A 8 -5,-1.2 -1,-0.2 -4,-0.3 -87,-0.2 -0.980 52.9-121.6-133.8 121.8 25.8 -25.5 45.1 114 127 A E E -c 26 0A 58 -89,-0.9 -87,-2.4 -2,-0.4 -5,-0.0 -0.370 23.2-169.7 -63.8 130.6 22.8 -23.3 45.8 115 128 A I - 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