==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-MAY-10 3MXL . COMPND 2 MOLECULE: NITROSOSYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA CARBONACEA; . AUTHOR J.L.VEY,T.M.IVERSON . 1524 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57784.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1102 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 82 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 666 43.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.2 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 0 0 0 0 4 4 8 0 8 0 4 0 4 0 0 0 4 0 4 0 0 0 0 0 0 0 8 RESIDUES PER ALPHA HELIX . 1 4 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 0 0 0 PARALLEL BRIDGES PER LADDER . 10 6 3 7 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 5 2 0 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 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 1 A M 0 0 190 0, 0.0 682,-0.2 0, 0.0 681,-0.1 0.000 360.0 360.0 360.0 146.3 63.3 -49.0 23.2 2 2 A A - 0 0 30 5,-0.1 678,-0.1 681,-0.1 677,-0.1 0.577 360.0-147.0-133.5 -43.8 61.3 -46.9 20.7 3 3 A A + 0 0 22 4,-0.2 299,-0.2 298,-0.1 298,-0.1 0.758 64.9 107.6 75.4 31.3 62.9 -43.5 20.2 4 4 A D S S- 0 0 11 297,-0.1 294,-0.1 3,-0.1 295,-0.1 0.215 93.5-102.7-123.1 16.0 59.7 -41.4 19.7 5 5 A L S S+ 0 0 0 2,-0.2 73,-0.1 293,-0.1 293,-0.0 0.708 81.7 131.1 71.2 21.8 59.4 -39.4 22.9 6 6 A R S S- 0 0 155 1,-0.3 -1,-0.0 291,-0.0 291,-0.0 0.872 77.6 -1.0 -73.8 -37.5 56.6 -41.8 24.1 7 7 A A S S- 0 0 49 10,-0.0 -1,-0.3 0, 0.0 -2,-0.2 -0.987 79.9-104.7-152.8 145.6 58.2 -42.3 27.5 8 8 A P - 0 0 13 0, 0.0 64,-0.0 0, 0.0 6,-0.0 -0.223 21.8-155.4 -66.4 159.0 61.4 -41.1 29.3 9 9 A L + 0 0 85 60,-0.1 5,-0.1 -8,-0.0 0, 0.0 0.881 66.7 72.9-100.0 -65.9 64.4 -43.5 29.8 10 10 A T S >> S- 0 0 26 1,-0.2 4,-1.1 3,-0.1 3,-0.6 -0.238 77.2-132.0 -53.5 137.1 66.5 -42.5 32.8 11 11 A P H 3> S+ 0 0 107 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.796 108.0 62.9 -63.6 -23.6 64.8 -43.2 36.1 12 12 A A H 34 S+ 0 0 25 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.897 107.5 40.5 -65.7 -40.8 65.7 -39.7 37.1 13 13 A G H <> S+ 0 0 2 -3,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.605 103.5 67.7 -84.0 -12.4 63.5 -38.3 34.3 14 14 A R H X S+ 0 0 128 -4,-1.1 4,-1.0 1,-0.2 -1,-0.2 0.711 99.1 53.7 -77.0 -20.0 60.8 -40.8 34.9 15 15 A T H X S+ 0 0 63 -4,-0.7 4,-1.0 -3,-0.4 -1,-0.2 0.704 104.3 54.6 -83.6 -24.6 60.2 -39.0 38.3 16 16 A V H > S+ 0 0 1 -4,-0.4 4,-1.0 2,-0.2 -2,-0.2 0.817 104.6 54.5 -78.3 -32.7 59.9 -35.7 36.5 17 17 A V H X S+ 0 0 21 -4,-1.2 4,-1.2 2,-0.2 -2,-0.2 0.908 110.8 41.7 -69.3 -45.7 57.1 -37.0 34.2 18 18 A D H < S+ 0 0 84 -4,-1.0 4,-0.5 2,-0.2 -1,-0.2 0.808 111.3 56.5 -72.7 -30.8 54.7 -38.3 36.9 19 19 A L H < S+ 0 0 55 -4,-1.0 3,-0.4 1,-0.2 4,-0.2 0.793 109.5 48.0 -70.0 -26.2 55.3 -35.3 39.2 20 20 A L H >X S+ 0 0 1 -4,-1.0 3,-1.7 1,-0.2 4,-1.5 0.780 94.1 74.3 -82.6 -30.1 54.2 -33.1 36.2 21 21 A A T 3< S+ 0 0 60 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.728 93.4 56.8 -56.0 -22.1 51.1 -35.3 35.6 22 22 A G T 34 S+ 0 0 47 -4,-0.5 4,-0.4 -3,-0.4 -1,-0.3 0.702 110.0 40.7 -84.3 -20.8 49.6 -33.6 38.7 23 23 A V T <> S+ 0 0 4 -3,-1.7 4,-1.5 -4,-0.2 5,-0.2 0.566 95.7 83.2-101.2 -12.1 50.0 -30.1 37.4 24 24 A I H >X S+ 0 0 39 -4,-1.5 4,-2.9 2,-0.2 3,-0.7 0.961 91.3 45.6 -55.3 -59.2 48.9 -30.9 33.9 25 25 A P H 3> S+ 0 0 77 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.919 111.3 53.3 -51.9 -49.9 45.1 -30.7 34.5 26 26 A R H 3> S+ 0 0 150 -4,-0.4 4,-0.6 1,-0.2 -2,-0.2 0.777 118.1 35.8 -57.8 -32.3 45.4 -27.5 36.5 27 27 A I H S+ 0 0 53 -4,-0.4 4,-1.8 -3,-0.4 -1,-0.2 0.881 116.1 47.8 -57.6 -41.3 42.8 -20.9 26.8 33 33 A D H > S+ 0 0 105 -4,-0.4 4,-2.4 2,-0.2 5,-0.3 0.951 110.6 47.1 -66.6 -54.2 42.3 -18.0 29.4 34 34 A R H X>S+ 0 0 17 -4,-2.8 4,-2.7 1,-0.2 5,-1.3 0.808 112.2 53.1 -59.9 -30.5 45.9 -17.0 29.9 35 35 A D H <5S+ 0 0 12 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.924 108.7 49.2 -69.4 -45.7 46.4 -17.0 26.1 36 36 A R H <5S+ 0 0 68 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.952 123.6 30.4 -57.8 -53.1 43.4 -14.7 25.6 37 37 A T H <5S- 0 0 94 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.862 102.2-131.6 -76.2 -38.3 44.5 -12.2 28.2 38 38 A G T <5 + 0 0 29 -4,-2.7 2,-0.5 -5,-0.3 -3,-0.2 0.926 49.7 151.7 83.7 51.4 48.2 -12.8 27.7 39 39 A T < - 0 0 67 -5,-1.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.966 46.5-120.2-123.2 121.3 49.2 -13.2 31.4 40 40 A F - 0 0 23 -2,-0.5 2,-2.0 1,-0.1 3,-0.2 -0.221 29.3-115.5 -55.5 138.2 52.1 -15.3 32.6 41 41 A P > + 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.469 48.1 162.6 -78.5 72.1 51.1 -18.2 34.9 42 42 A V H > S+ 0 0 73 -2,-2.0 4,-2.5 1,-0.2 5,-0.2 0.947 75.7 36.3 -56.3 -57.3 52.9 -17.0 38.1 43 43 A E H > S+ 0 0 126 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.786 117.2 52.9 -69.0 -29.0 51.0 -19.1 40.6 44 44 A A H 4 S+ 0 0 14 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.817 114.5 43.7 -74.8 -28.6 50.8 -22.0 38.3 45 45 A F H >X S+ 0 0 1 -4,-2.1 3,-1.8 1,-0.2 4,-0.6 0.864 106.4 57.8 -82.9 -39.6 54.5 -21.8 37.8 46 46 A E H 3X S+ 0 0 53 -4,-2.5 4,-1.0 1,-0.3 3,-0.2 0.686 92.4 71.5 -65.3 -18.7 55.5 -21.3 41.4 47 47 A Q H 3X S+ 0 0 55 -4,-0.7 4,-1.3 1,-0.2 -1,-0.3 0.675 89.5 62.9 -70.9 -15.7 53.7 -24.6 42.2 48 48 A F H <>>S+ 0 0 6 -3,-1.8 4,-4.0 2,-0.2 5,-1.0 0.903 96.3 55.7 -72.7 -43.4 56.6 -26.3 40.5 49 49 A A H <5S+ 0 0 22 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.860 103.5 56.7 -57.1 -35.9 59.1 -24.9 43.0 50 50 A K H <5S+ 0 0 76 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.938 116.3 34.2 -61.9 -46.5 57.0 -26.6 45.7 51 51 A L H <5S- 0 0 63 -4,-1.3 -2,-0.2 -3,-0.1 -1,-0.2 0.902 114.2-113.6 -75.1 -43.7 57.3 -30.0 44.0 52 52 A G T ><5S+ 0 0 11 -4,-4.0 3,-1.9 -5,-0.1 -3,-0.2 0.342 82.5 118.2 124.9 -4.3 60.9 -29.5 42.7 53 53 A L G > >> - 0 0 16 0, 0.0 3,-1.7 0, 0.0 4,-1.6 -0.006 26.9-128.9 -42.1 138.9 72.6 -32.5 40.3 60 60 A A T 345S+ 0 0 74 1,-0.3 5,-0.1 2,-0.2 3,-0.0 0.848 111.4 56.8 -60.5 -33.1 71.0 -34.7 43.0 61 61 A E T 345S+ 0 0 147 1,-0.2 -1,-0.3 3,-0.1 5,-0.0 0.564 109.5 44.9 -75.6 -9.1 73.9 -33.6 45.3 62 62 A L T <45S- 0 0 6 -3,-1.7 -2,-0.2 58,-0.1 -1,-0.2 0.654 141.9 -40.7-106.6 -22.7 73.0 -29.9 44.8 63 63 A G T <5S- 0 0 49 -4,-1.6 2,-0.2 -5,-0.2 -3,-0.2 0.181 93.4 -71.7-168.4 -55.4 69.2 -30.0 45.2 64 64 A G S > - 0 0 73 1,-0.2 4,-1.8 2,-0.1 3,-0.9 -0.616 54.7-158.5 -75.1 107.0 69.5 -36.9 29.5 70 70 A L H 3> S+ 0 0 2 -2,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.791 89.8 61.1 -55.2 -31.5 68.5 -34.4 26.8 71 71 A Y H 3> S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.883 107.5 42.9 -64.1 -40.4 66.0 -36.9 25.4 72 72 A D H <> S+ 0 0 2 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.824 107.1 60.2 -74.7 -34.4 64.0 -37.1 28.6 73 73 A V H X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.860 110.3 43.3 -61.5 -33.6 64.2 -33.3 29.1 74 74 A A H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.829 107.8 57.5 -79.7 -34.8 62.4 -33.0 25.7 75 75 A T H X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.827 109.3 48.7 -64.6 -29.8 59.9 -35.9 26.6 76 76 A A H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 3,-0.3 0.962 108.9 50.0 -72.1 -53.8 59.0 -33.8 29.6 77 77 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.737 110.2 52.9 -57.7 -24.1 58.5 -30.5 27.6 78 78 A M H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.887 106.1 50.8 -79.2 -40.6 56.3 -32.4 25.1 79 79 A R H < S+ 0 0 57 -4,-1.4 4,-0.4 -3,-0.3 -2,-0.2 0.919 117.7 41.4 -59.9 -42.5 54.0 -33.8 27.9 80 80 A L H >X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 3,-1.3 0.877 109.3 56.9 -73.4 -39.2 53.7 -30.2 29.1 81 81 A A H 3< S+ 0 0 2 -4,-2.1 4,-0.2 1,-0.3 -1,-0.2 0.811 96.9 64.8 -62.8 -29.1 53.4 -28.6 25.7 82 82 A E T 3< S+ 0 0 60 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.787 111.1 37.9 -62.6 -27.7 50.4 -30.9 25.0 83 83 A A T <4 S- 0 0 6 -3,-1.3 2,-0.4 -4,-0.4 -2,-0.2 0.937 142.1 -11.0 -84.3 -64.1 48.8 -28.9 27.8 84 84 A D X - 0 0 0 -4,-2.4 4,-1.6 1,-0.1 -1,-0.3 -0.952 50.8-161.1-143.9 119.5 50.1 -25.4 27.1 85 85 A A H > S+ 0 0 0 -2,-0.4 4,-2.4 -4,-0.2 5,-0.2 0.929 92.1 59.5 -62.2 -45.9 52.9 -24.6 24.7 86 86 A S H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 126,-0.2 0.873 106.7 42.5 -52.4 -49.3 53.5 -21.2 26.4 87 87 A T H > S+ 0 0 4 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.910 113.1 54.9 -67.6 -37.4 54.3 -22.5 29.8 88 88 A A H X S+ 0 0 0 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.881 104.9 53.3 -60.6 -39.7 56.4 -25.3 28.3 89 89 A L H X S+ 0 0 14 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.881 113.5 43.9 -62.8 -38.2 58.4 -22.6 26.4 90 90 A A H >X S+ 0 0 0 -4,-1.5 3,-1.2 1,-0.2 4,-1.0 0.925 107.1 56.0 -72.9 -48.1 59.1 -20.9 29.7 91 91 A W H 3X S+ 0 0 1 -4,-3.1 4,-2.3 1,-0.3 -1,-0.2 0.735 101.3 63.3 -57.3 -21.7 59.9 -23.9 31.8 92 92 A H H 3X S+ 0 0 8 -4,-1.1 4,-2.5 -5,-0.2 -1,-0.3 0.860 91.7 61.7 -71.2 -37.2 62.6 -24.6 29.1 93 93 A V H X S+ 0 0 14 -4,-2.5 4,-1.9 2,-0.2 3,-1.6 0.993 103.1 40.1 -61.6 -67.2 68.1 -24.8 29.9 97 97 A R H 3X S+ 0 0 33 -4,-1.5 4,-3.7 1,-0.3 5,-0.5 0.806 103.9 75.5 -53.2 -27.7 70.6 -23.2 32.3 98 98 A G H 3X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -1,-0.3 0.918 106.1 31.0 -49.6 -47.0 70.1 -26.4 34.3 99 99 A L H - 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0 0 43 -3,-1.3 -3,-0.0 -4,-0.4 -4,-0.0 -0.610 68.5-103.7 -85.2 133.5 63.9 -19.4 16.8 376 376 A Q S S+ 0 0 84 -2,-0.3 -2,-0.1 1,-0.2 2,-0.0 -0.765 84.5 69.6 -99.1 143.1 67.7 -19.4 16.6 377 377 A P S S+ 0 0 18 0, 0.0 -1,-0.2 0, 0.0 -128,-0.1 0.563 118.1 1.3-103.7 146.1 69.7 -21.4 16.0 378 378 A Y - 0 0 51 1,-0.2 -3,-0.1 -5,-0.1 -2,-0.1 0.638 61.8-165.0-127.3 159.8 69.1 -21.7 13.2 379 379 A S > - 0 0 17 -5,-0.1 4,-4.1 1,-0.1 5,-0.3 -0.282 45.7-103.6 -74.4 169.1 66.5 -19.8 11.1 380 380 A Y H > S+ 0 0 68 -7,-0.5 4,-2.2 1,-0.2 5,-0.2 0.977 125.1 49.2 -59.2 -52.6 65.7 -21.3 7.7 381 381 A V H > S+ 0 0 19 716,-0.3 4,-1.0 1,-0.2 648,-0.6 0.881 120.5 36.7 -51.3 -44.4 67.8 -18.7 6.0 382 382 A D H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 3,-0.4 0.937 112.3 57.1 -75.1 -50.4 70.7 -19.4 8.4 383 383 A A H X S+ 0 0 2 -4,-4.1 4,-2.8 1,-0.2 5,-0.2 0.789 103.6 56.4 -52.4 -31.2 70.2 -23.2 8.6 384 384 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 5,-0.3 0.928 108.3 44.8 -70.5 -43.4 70.6 -23.4 4.9 385 385 A D H X S+ 0 0 39 -4,-1.0 4,-1.7 -3,-0.4 -2,-0.2 0.938 117.2 47.7 -63.8 -45.2 74.0 -21.8 4.8 386 386 A Y H X S+ 0 0 36 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.959 114.7 42.3 -59.6 -56.3 75.0 -23.9 7.8 387 387 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.821 115.9 47.8 -62.8 -35.8 73.8 -27.3 6.4 388 388 A S H X S+ 0 0 0 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.805 108.7 56.5 -75.6 -28.6 75.1 -26.7 2.9 389 389 A G H < S+ 0 0 10 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.777 110.2 44.0 -71.7 -27.2 78.4 -25.6 4.3 390 390 A Q H < S+ 0 0 71 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.812 110.9 53.8 -83.7 -34.7 78.7 -28.9 6.2 391 391 A A H < S+ 0 0 13 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.732 121.3 29.4 -71.5 -22.9 77.6 -30.9 3.2 392 392 A L S < S- 0 0 23 -4,-1.2 254,-0.1 1,-0.1 -3,-0.1 -0.134 103.3 -82.3-114.2-150.6 80.3 -29.3 1.1 393 393 A G 0 0 61 -2,-0.1 -1,-0.1 253,-0.1 253,-0.0 0.928 360.0 360.0 -84.4 -82.2 83.7 -27.8 1.8 394 394 A L 0 0 120 256,-0.3 -2,-0.1 -3,-0.1 257,-0.0 0.809 360.0 360.0 31.0 360.0 83.4 -24.3 3.2 395 !* 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 0.0 396 1 B M 0 0 175 0, 0.0 -87,-0.1 0, 0.0 -88,-0.0 0.000 360.0 360.0 360.0 162.9 73.2 -45.1 20.2 397 2 B A - 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