==== 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/OXIDOREDUCTASE INHIBITOR 25-MAY-10 3N6A . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.L.DELKER,H.LI,T.L.POULOS . 809 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 10.6 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 58 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.2 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 2 0 2 0 0 0 1 1 0 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 PARALLEL BRIDGES PER LADDER . 10 6 12 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 ANTIPARALLEL BRIDGES PER LADDER . 6 4 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 67 A G 0 0 103 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -76.6 8.9 -19.8 53.4 2 68 A P - 0 0 56 0, 0.0 2,-1.3 0, 0.0 4,-0.0 -0.210 360.0-133.1 -59.6 131.3 10.1 -18.2 50.1 3 69 A K S S+ 0 0 186 14,-0.1 14,-0.0 2,-0.1 3,-0.0 -0.029 80.1 80.1 -71.5 32.4 13.8 -16.9 50.1 4 70 A F S S- 0 0 63 -2,-1.3 15,-0.1 17,-0.0 0, 0.0 -0.917 95.5 -69.5-138.9 160.1 12.7 -13.6 48.4 5 71 A P - 0 0 12 0, 0.0 13,-1.9 0, 0.0 2,-0.4 -0.269 45.0-136.8 -55.3 129.4 11.2 -10.4 49.6 6 72 A R E -A 17 0A 109 11,-0.2 2,-0.5 9,-0.0 11,-0.2 -0.773 19.5-160.4 -85.7 133.8 7.5 -10.6 50.6 7 73 A V E -A 16 0A 10 9,-3.5 9,-2.1 -2,-0.4 2,-0.4 -0.961 6.4-166.6-125.1 124.9 5.4 -7.8 49.3 8 74 A K E -A 15 0A 50 -2,-0.5 382,-2.2 7,-0.2 2,-0.6 -0.887 19.8-149.2-119.9 139.7 2.1 -6.9 50.7 9 75 A N B > -B 389 0B 2 5,-2.8 4,-1.6 -2,-0.4 5,-0.3 -0.935 14.0-162.5 -96.6 123.5 -0.8 -4.7 49.6 10 76 A W T 4 S+ 0 0 94 378,-2.8 379,-0.1 -2,-0.6 -1,-0.1 0.662 84.1 53.7 -86.0 -16.2 -2.4 -3.3 52.8 11 77 A E T 4 S+ 0 0 56 377,-0.3 -1,-0.2 374,-0.2 378,-0.1 0.932 122.6 27.0 -77.9 -46.3 -5.7 -2.3 51.3 12 78 A L T 4 S- 0 0 126 376,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.677 97.9-128.4 -93.2 -21.3 -6.5 -5.7 49.8 13 79 A G < + 0 0 49 -4,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.558 58.4 143.9 81.3 10.4 -4.5 -7.9 52.1 14 80 A S - 0 0 62 -5,-0.3 -5,-2.8 1,-0.0 2,-0.3 -0.479 33.8-153.7 -87.3 159.3 -2.7 -9.7 49.3 15 81 A I E +A 8 0A 66 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.942 14.6 171.0-135.7 138.7 0.9 -11.0 49.2 16 82 A T E -A 7 0A 48 -9,-2.1 -9,-3.5 -2,-0.3 2,-0.5 -0.957 24.5-132.9-141.0 163.4 3.5 -11.6 46.5 17 83 A Y E -A 6 0A 59 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.2 -0.986 16.6-137.6-118.7 129.4 7.2 -12.5 46.4 18 84 A D + 0 0 5 -13,-1.9 349,-0.2 -2,-0.5 348,-0.1 -0.772 33.9 160.2 -86.0 112.1 9.6 -10.6 44.1 19 85 A T > + 0 0 59 347,-2.4 3,-1.0 -2,-0.8 348,-0.2 0.488 63.7 77.9-101.5 -13.7 11.9 -13.2 42.5 20 86 A L G > S+ 0 0 12 346,-1.6 3,-2.6 1,-0.2 4,-0.2 0.810 76.3 74.1 -65.6 -30.0 12.9 -10.8 39.7 21 87 A C G > S+ 0 0 6 1,-0.3 3,-2.1 345,-0.3 -1,-0.2 0.757 80.3 73.1 -58.4 -24.4 15.3 -8.9 42.0 22 88 A A G < S+ 0 0 50 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.650 88.1 63.7 -63.1 -16.6 17.7 -11.8 41.7 23 89 A Q G < S+ 0 0 111 -3,-2.6 -1,-0.3 -4,-0.1 2,-0.2 0.508 75.0 117.3 -84.9 -10.4 18.3 -10.7 38.2 24 90 A S < - 0 0 4 -3,-2.1 372,-0.2 -4,-0.2 3,-0.0 -0.440 37.8-179.9 -66.8 126.2 19.8 -7.3 39.3 25 91 A Q + 0 0 135 370,-0.5 2,-0.4 -2,-0.2 -1,-0.1 0.432 62.0 66.0-106.6 -1.0 23.5 -6.9 38.3 26 92 A Q B S-C 395 0C 82 369,-0.7 369,-0.6 413,-0.1 2,-0.2 -0.977 76.4-127.3-132.3 128.2 24.1 -3.5 39.9 27 93 A D - 0 0 114 -2,-0.4 412,-0.2 367,-0.1 367,-0.1 -0.452 19.6-152.7 -70.7 136.0 24.0 -2.3 43.5 28 94 A G - 0 0 34 410,-3.4 -1,-0.1 409,-0.2 412,-0.1 -0.016 37.9 -86.5 -85.3-157.3 21.8 0.6 44.6 29 95 A P S S+ 0 0 42 0, 0.0 14,-0.1 0, 0.0 410,-0.1 0.535 90.5 96.1 -97.6 -9.5 22.6 2.9 47.5 30 96 A C + 0 0 2 407,-0.3 5,-0.2 408,-0.3 -2,-0.1 -0.349 44.0 179.3 -81.9 162.0 21.1 1.1 50.5 31 97 A T - 0 0 42 3,-1.4 3,-0.5 406,-0.2 405,-0.3 -0.939 48.4 -93.7-148.4 165.9 22.8 -1.3 53.0 32 98 A P S S+ 0 0 47 0, 0.0 402,-4.1 0, 0.0 404,-0.2 0.823 124.2 53.4 -50.6 -33.2 21.7 -3.3 56.0 33 99 A R S S+ 0 0 146 1,-0.2 767,-0.4 400,-0.2 2,-0.3 0.847 121.1 9.7 -72.0 -40.4 22.9 -0.3 58.2 34 100 A R - 0 0 40 -3,-0.5 -3,-1.4 765,-0.1 2,-0.5 -0.968 62.3-133.2-153.3 134.0 20.9 2.5 56.5 35 101 A C B +D 798 0D 19 763,-2.1 763,-1.8 -2,-0.3 3,-0.2 -0.704 19.3 176.7 -83.7 124.8 18.2 3.0 53.9 36 102 A L > + 0 0 9 -2,-0.5 3,-1.8 761,-0.2 -1,-0.1 0.008 39.3 124.7-117.1 25.6 19.0 5.6 51.3 37 103 A G T 3 + 0 0 20 1,-0.3 -1,-0.1 761,-0.1 336,-0.1 0.696 66.3 59.3 -62.1 -24.6 15.9 5.0 49.2 38 104 A S T 3 S+ 0 0 25 758,-0.5 2,-0.3 -3,-0.2 -1,-0.3 0.501 78.8 114.2 -87.0 -2.9 14.7 8.7 49.4 39 105 A L < - 0 0 10 -3,-1.8 -3,-0.1 1,-0.1 374,-0.1 -0.552 56.8-152.6 -73.1 130.1 17.9 9.9 47.7 40 106 A M S S+ 0 0 36 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.954 87.8 12.6 -61.6 -63.2 17.4 11.5 44.3 41 107 A L S S- 0 0 62 361,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.974 79.3-159.6-113.2 111.8 20.8 10.7 42.9 42 108 A P 0 0 54 0, 0.0 -5,-0.0 0, 0.0 -6,-0.0 -0.638 360.0 360.0 -82.1 154.0 22.7 8.3 45.0 43 109 A R 0 0 211 -2,-0.2 0, 0.0 369,-0.1 0, 0.0 0.957 360.0 360.0 -68.5 360.0 26.6 8.3 44.6 44 ! 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 45 120 A P 0 0 112 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 149.7 35.5 0.2 28.6 46 121 A P > - 0 0 92 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.367 360.0-137.3 -62.8 129.9 37.1 -3.0 30.2 47 122 A A H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 97.4 46.9 -60.0 -48.0 36.6 -5.9 27.8 48 123 A E H > S+ 0 0 156 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 113.7 50.8 -62.3 -43.5 35.5 -8.7 30.2 49 124 A Q H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.926 113.3 44.6 -54.1 -51.5 33.1 -6.3 31.9 50 125 A L H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.875 110.5 55.2 -65.4 -40.4 31.5 -5.3 28.6 51 126 A L H X S+ 0 0 27 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.906 107.2 47.9 -63.8 -43.8 31.4 -8.8 27.3 52 127 A S H X S+ 0 0 48 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.825 112.0 50.1 -69.7 -33.0 29.4 -10.2 30.3 53 128 A Q H X S+ 0 0 54 -4,-1.5 4,-2.1 2,-0.2 219,-0.2 0.913 113.7 46.2 -65.9 -44.3 26.9 -7.3 30.1 54 129 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 217,-0.3 -2,-0.2 0.893 109.3 53.4 -64.6 -44.5 26.5 -7.9 26.4 55 130 A R H X S+ 0 0 81 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.879 109.7 50.1 -59.5 -38.1 26.1 -11.7 26.9 56 131 A D H X S+ 0 0 33 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.903 111.4 47.2 -68.8 -45.0 23.4 -11.0 29.4 57 132 A F H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.965 111.4 50.3 -62.0 -51.4 21.5 -8.7 27.1 58 133 A I H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.924 111.4 49.7 -51.9 -47.7 21.8 -11.1 24.1 59 134 A N H X S+ 0 0 63 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.899 109.7 51.7 -54.0 -44.7 20.4 -13.9 26.4 60 135 A Q H X S+ 0 0 39 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.909 110.6 49.3 -57.9 -41.1 17.6 -11.5 27.4 61 136 A Y H X S+ 0 0 28 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.951 110.9 47.1 -67.4 -51.0 16.9 -10.9 23.7 62 137 A Y H <>S+ 0 0 19 -4,-2.8 5,-3.2 1,-0.2 6,-0.3 0.812 110.1 55.0 -61.8 -31.6 16.8 -14.5 22.8 63 138 A S H ><5S+ 0 0 60 -4,-2.2 3,-1.6 -5,-0.2 -1,-0.2 0.926 103.4 54.9 -60.2 -46.7 14.5 -15.3 25.8 64 139 A S H 3<5S+ 0 0 55 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.694 114.3 39.6 -71.1 -17.7 12.0 -12.7 24.7 65 140 A I T 3<5S- 0 0 71 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.328 115.3-117.9-107.3 5.3 11.6 -14.3 21.3 66 141 A K T < 5S+ 0 0 159 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.801 80.7 115.8 68.3 38.9 11.8 -17.8 22.8 67 142 A R > < + 0 0 149 -5,-3.2 3,-1.6 -6,-0.1 6,-0.3 -0.126 34.4 156.5-126.8 33.3 15.0 -19.1 21.1 68 143 A S T 3 S+ 0 0 73 -6,-0.3 3,-0.1 1,-0.2 -9,-0.0 -0.483 70.4 12.2 -69.8 122.9 17.2 -19.5 24.2 69 144 A G T 3 S+ 0 0 52 -2,-0.3 -1,-0.2 1,-0.3 5,-0.0 0.304 98.2 135.6 94.9 -5.4 20.0 -22.0 23.6 70 145 A S S <> S- 0 0 24 -3,-1.6 4,-2.5 1,-0.1 -1,-0.3 -0.065 71.8-105.7 -70.4 172.4 19.4 -22.1 19.8 71 146 A Q H > S+ 0 0 132 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.830 123.7 50.3 -67.7 -34.0 22.0 -22.0 17.0 72 147 A A H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.847 110.7 51.3 -74.1 -32.6 21.0 -18.4 16.3 73 148 A H H > S+ 0 0 8 -6,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.933 113.7 41.3 -68.4 -47.6 21.4 -17.6 19.9 74 149 A E H X S+ 0 0 104 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.772 115.3 52.8 -71.5 -27.9 25.0 -19.1 20.2 75 150 A E H X S+ 0 0 116 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.877 108.7 48.5 -72.9 -41.7 26.0 -17.6 16.8 76 151 A R H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.885 110.7 51.7 -65.9 -37.8 24.9 -14.1 17.9 77 152 A L H X S+ 0 0 20 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.929 112.5 46.6 -56.4 -47.4 26.9 -14.6 21.1 78 153 A Q H X S+ 0 0 125 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.870 110.0 52.6 -63.4 -42.6 29.9 -15.6 19.1 79 154 A E H X S+ 0 0 78 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.827 109.0 51.9 -64.1 -33.1 29.4 -12.7 16.7 80 155 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.940 110.9 43.6 -72.1 -50.2 29.4 -10.3 19.7 81 156 A E H X S+ 0 0 76 -4,-2.0 4,-3.7 2,-0.2 -2,-0.2 0.903 111.1 55.3 -63.5 -42.3 32.6 -11.4 21.4 82 157 A A H X S+ 0 0 58 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.928 109.4 48.8 -51.5 -47.7 34.4 -11.6 18.0 83 158 A E H X>S+ 0 0 53 -4,-1.6 4,-2.1 2,-0.2 5,-0.6 0.934 113.8 44.1 -60.7 -47.2 33.4 -7.9 17.6 84 159 A V H X5S+ 0 0 7 -4,-2.4 4,-2.1 4,-0.2 -2,-0.2 0.940 108.4 61.2 -62.6 -43.9 34.6 -6.9 21.0 85 160 A A H <5S+ 0 0 86 -4,-3.7 -2,-0.2 1,-0.2 -1,-0.2 0.903 116.3 28.8 -44.7 -53.2 37.7 -9.0 20.4 86 161 A S H <5S+ 0 0 99 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.700 138.4 18.0 -88.7 -22.5 38.8 -6.8 17.4 87 162 A T H <5S- 0 0 78 -4,-2.1 -3,-0.2 2,-0.3 -2,-0.2 0.569 90.0-122.3-126.9 -18.5 37.3 -3.3 18.2 88 163 A G S <> - 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0 0 22 -3,-1.4 3,-1.8 -4,-0.8 263,-0.1 -0.448 50.3-161.9 -70.5 103.7 12.6 2.1 35.1 109 184 A P T 3 S+ 0 0 29 0, 0.0 262,-2.4 0, 0.0 -1,-0.2 0.718 84.5 53.9 -57.4 -23.2 11.6 2.1 38.9 110 185 A R T 3 S+ 0 0 58 260,-0.2 2,-0.6 264,-0.1 260,-0.1 0.413 84.4 96.0 -99.3 1.2 10.4 5.7 38.9 111 186 A C < - 0 0 38 -3,-1.8 3,-0.5 -6,-0.2 264,-0.1 -0.850 45.0-173.8-102.6 126.5 7.9 5.6 36.1 112 187 A V S S+ 0 0 24 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.512 78.4 72.5 -87.5 -10.6 4.2 5.1 36.8 113 188 A G > + 0 0 29 1,-0.2 3,-2.1 2,-0.1 -1,-0.2 0.250 59.7 118.9 -87.1 16.0 3.3 4.9 33.1 114 189 A R G > + 0 0 0 -3,-0.5 3,-1.7 1,-0.3 4,-0.3 0.597 50.5 80.6 -73.1 -7.2 4.8 1.5 32.6 115 190 A I G 3 S+ 0 0 52 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.785 94.4 53.8 -63.1 -18.9 1.6 -0.3 31.6 116 191 A Q G X S+ 0 0 53 -3,-2.1 3,-3.4 1,-0.2 -1,-0.3 0.487 75.0 111.4 -90.3 -6.3 2.3 1.3 28.2 117 192 A W T < S+ 0 0 61 -3,-1.7 -1,-0.2 1,-0.3 -11,-0.1 0.765 72.0 55.7 -40.3 -47.0 5.9 -0.1 27.9 118 193 A G T 3 S+ 0 0 41 -3,-0.3 2,-0.7 -4,-0.3 -1,-0.3 0.552 98.0 68.6 -65.6 -10.6 5.1 -2.5 25.1 119 194 A K < + 0 0 144 -3,-3.4 2,-0.4 -17,-0.1 34,-0.2 -0.833 67.0 131.9-114.4 89.4 3.8 0.3 22.9 120 195 A L - 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