==== 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 3N6C . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.L.DELKER,H.LI,T.L.POULOS . 805 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 11.1 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 . 3 0.4 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 . 1 0.1 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 . 72 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.4 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 3 1 1 1 1 2 0 0 0 0 3 0 3 1 3 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 PARALLEL BRIDGES PER LADDER . 14 7 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 6 3 3 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 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 0 116 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.0 10.5 -19.1 53.2 2 68 A P - 0 0 66 0, 0.0 2,-3.9 0, 0.0 0, 0.0 -0.453 360.0-121.9 -62.4 112.5 11.6 -18.4 49.5 3 69 A K S S+ 0 0 196 -2,-0.4 3,-0.0 3,-0.0 0, 0.0 -0.179 83.1 89.8 -58.7 60.9 15.0 -16.8 49.7 4 70 A F S S- 0 0 102 -2,-3.9 15,-0.1 17,-0.0 0, 0.0 -0.977 92.3 -68.1-155.2 146.5 13.8 -13.8 47.8 5 71 A P - 0 0 14 0, 0.0 13,-1.6 0, 0.0 2,-0.5 -0.009 48.8-139.5 -34.4 138.7 12.2 -10.4 48.6 6 72 A R E -A 17 0A 115 11,-0.2 2,-0.7 9,-0.0 11,-0.2 -0.927 15.6-163.8-123.0 111.0 8.7 -10.8 50.0 7 73 A V E -A 16 0A 15 9,-3.7 9,-0.7 -2,-0.5 2,-0.2 -0.798 6.6-174.3-112.8 103.3 6.0 -8.3 48.9 8 74 A K E -A 15 0A 44 -2,-0.7 380,-1.8 7,-0.2 2,-0.7 -0.627 21.2-143.2 -96.2 148.3 2.7 -7.9 50.7 9 75 A N E >>> -AB 14 387A 10 5,-2.9 4,-2.3 -2,-0.2 2,-2.2 -0.870 12.1-157.4-109.0 97.1 -0.3 -5.8 49.8 10 76 A W T 345S+ 0 0 89 376,-1.1 377,-0.1 -2,-0.7 689,-0.1 0.000 86.8 53.1 -66.0 33.9 -1.6 -4.4 53.1 11 77 A E T 345S+ 0 0 66 -2,-2.2 -1,-0.2 3,-0.1 376,-0.1 0.510 123.5 21.6-132.1 -34.1 -5.1 -3.9 51.7 12 78 A L T <45S- 0 0 149 -3,-1.2 -2,-0.2 2,-0.1 3,-0.1 0.324 98.1-130.1-110.8 -2.0 -5.9 -7.2 50.2 13 79 A G T <5 + 0 0 38 -4,-2.3 -3,-0.2 1,-0.2 2,-0.1 0.589 57.4 147.1 63.1 10.3 -3.4 -9.0 52.4 14 80 A S E < -A 9 0A 57 -5,-0.6 -5,-2.9 -6,-0.1 2,-0.3 -0.394 34.0-149.4 -74.2 154.5 -2.0 -10.8 49.3 15 81 A I E +A 8 0A 56 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.858 15.3 177.8-122.8 161.7 1.8 -11.6 49.0 16 82 A T E -A 7 0A 49 -9,-0.7 -9,-3.7 -2,-0.3 2,-0.4 -0.972 19.7-134.0-160.4 147.0 4.2 -12.0 46.1 17 83 A Y E -A 6 0A 79 -2,-0.3 2,-0.7 -11,-0.2 -11,-0.2 -0.894 14.8-132.2-113.7 133.7 7.9 -12.8 45.7 18 84 A D + 0 0 4 -13,-1.6 347,-0.2 -2,-0.4 4,-0.1 -0.732 36.5 156.7 -87.2 118.2 10.5 -10.9 43.6 19 85 A T > + 0 0 67 345,-2.0 3,-0.7 -2,-0.7 -1,-0.2 0.603 67.7 69.0-108.1 -25.9 12.5 -13.4 41.5 20 86 A L G > S+ 0 0 5 344,-1.6 3,-2.3 1,-0.2 4,-0.5 0.744 79.5 75.4 -66.5 -31.1 13.4 -10.8 38.9 21 87 A C G > S+ 0 0 5 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.846 81.8 69.6 -57.6 -32.9 15.7 -8.8 41.2 22 88 A A G < S+ 0 0 46 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.385 91.2 65.4 -67.7 8.8 18.4 -11.5 40.9 23 89 A Q G < S+ 0 0 114 -3,-2.3 -1,-0.3 3,-0.0 -2,-0.2 0.746 72.3 109.4 -92.0 -33.1 18.6 -10.2 37.3 24 90 A S < - 0 0 1 -3,-1.5 370,-0.2 -4,-0.5 369,-0.0 -0.226 44.2-175.3 -50.4 114.9 19.9 -6.7 38.3 25 91 A Q + 0 0 155 368,-0.4 2,-0.4 1,-0.0 -1,-0.2 0.062 67.1 73.0 -96.6 20.9 23.5 -6.5 37.2 26 92 A Q B -C 393 0B 77 367,-0.6 367,-0.8 411,-0.2 2,-0.2 -0.981 69.0-149.2-143.9 123.4 23.7 -3.1 38.9 27 93 A D - 0 0 94 -2,-0.4 410,-0.3 365,-0.1 365,-0.1 -0.535 12.8-149.9 -85.5 154.4 23.8 -2.2 42.6 28 94 A G - 0 0 29 408,-3.2 410,-0.1 407,-0.3 -1,-0.1 -0.361 37.2 -82.5-104.4-166.8 22.3 1.0 44.1 29 95 A P S S+ 0 0 50 0, 0.0 408,-0.1 0, 0.0 8,-0.1 0.830 91.0 104.3 -64.7 -38.3 23.3 3.1 47.1 30 96 A C + 0 0 6 406,-0.2 -2,-0.2 405,-0.2 5,-0.2 -0.213 41.4 175.3 -59.9 130.4 21.5 1.0 49.8 31 97 A T B > -D 34 0C 53 3,-1.7 3,-1.4 404,-0.1 403,-0.2 -0.867 47.1-105.7-122.1 163.4 23.5 -1.3 52.1 32 98 A P T 3 S+ 0 0 46 0, 0.0 400,-3.5 0, 0.0 3,-0.1 0.500 116.6 65.1 -72.0 7.8 21.9 -3.2 54.9 33 99 A R T 3 S- 0 0 88 1,-0.4 2,-0.3 398,-0.2 397,-0.2 0.572 120.2 -1.9-107.4 -17.2 23.5 -0.7 57.4 34 100 A R B < -D 31 0C 37 -3,-1.4 -3,-1.7 761,-0.1 2,-0.5 -0.911 70.0-125.9-163.0 159.4 21.4 2.3 56.2 35 101 A C B +E 794 0D 21 759,-2.7 759,-1.2 -2,-0.3 3,-0.4 -0.920 17.5 179.9-117.4 115.4 18.8 2.9 53.5 36 102 A L + 0 0 17 -2,-0.5 3,-0.4 1,-0.2 -1,-0.1 0.015 44.9 125.2 -97.7 26.5 19.2 5.7 50.8 37 103 A G S S+ 0 0 25 1,-0.2 -1,-0.2 757,-0.1 334,-0.1 0.847 70.2 56.0 -48.6 -42.1 15.9 4.8 49.2 38 104 A S S S+ 0 0 19 754,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.876 82.9 112.3 -59.2 -48.4 14.7 8.4 49.6 39 105 A L - 0 0 16 -3,-0.4 372,-0.1 753,-0.3 751,-0.0 0.127 52.4-156.9 -31.3 134.3 17.6 9.9 47.7 40 106 A V S S+ 0 0 29 1,-0.1 -1,-0.1 372,-0.1 0, 0.0 0.988 80.8 45.8 -84.4 -73.4 17.0 11.6 44.3 41 107 A L 0 0 85 1,-0.1 -1,-0.1 359,-0.0 -2,-0.0 -0.677 360.0 360.0 -66.0 125.8 20.3 11.6 42.4 42 108 A P 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.146 360.0 360.0-116.5 360.0 21.5 8.0 42.9 43 ! 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 44 121 A P 0 0 140 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.6 35.6 -1.0 28.2 45 122 A A >> + 0 0 43 1,-0.1 4,-3.0 41,-0.0 3,-2.7 -0.923 360.0 37.9 126.5 -95.4 35.5 -4.1 25.9 46 123 A E H 3> S+ 0 0 136 -2,-0.5 4,-1.3 1,-0.3 5,-0.1 0.843 123.2 49.3 -49.3 -35.5 35.2 -7.4 27.8 47 124 A Q H 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.2 223,-0.0 0.235 113.4 45.2 -96.6 7.7 33.0 -5.5 30.1 48 125 A L H <> S+ 0 0 22 -3,-2.7 4,-1.3 2,-0.1 -2,-0.2 0.570 106.5 59.3-108.7 -33.8 30.9 -4.1 27.2 49 126 A L H X S+ 0 0 33 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.892 104.6 49.2 -68.3 -40.8 30.6 -7.4 25.4 50 127 A S H X S+ 0 0 53 -4,-1.3 4,-2.4 -5,-0.2 -1,-0.2 0.918 106.8 56.1 -62.1 -43.7 28.9 -9.1 28.4 51 128 A Q H > S+ 0 0 83 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.833 109.8 49.3 -54.5 -33.1 26.5 -6.1 28.6 52 129 A A H >X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 3,-1.5 0.979 107.3 48.9 -74.0 -60.4 25.7 -6.9 24.9 53 130 A R H 3X S+ 0 0 115 -4,-2.4 4,-1.9 1,-0.3 5,-0.2 0.845 105.7 62.5 -47.9 -36.6 25.1 -10.7 25.3 54 131 A D H 3X S+ 0 0 68 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.3 0.908 108.1 43.1 -54.9 -42.3 22.8 -9.7 28.2 55 132 A F H XX S+ 0 0 1 -3,-1.5 4,-2.1 -4,-0.9 3,-1.8 0.997 109.9 49.7 -69.6 -65.9 20.7 -7.9 25.7 56 133 A I H 3X S+ 0 0 1 -4,-1.6 4,-2.6 1,-0.3 5,-0.2 0.838 107.7 57.7 -40.9 -48.5 20.4 -10.2 22.7 57 134 A N H 3X S+ 0 0 64 -4,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.845 107.5 47.1 -52.2 -42.1 19.5 -13.1 25.1 58 135 A Q H << S+ 0 0 55 -3,-1.8 -1,-0.2 -4,-1.0 -2,-0.2 0.952 110.2 53.4 -64.2 -48.4 16.5 -11.0 26.3 59 136 A Y H >X S+ 0 0 35 -4,-2.1 4,-1.2 1,-0.2 3,-0.8 0.883 115.6 39.3 -52.9 -43.2 15.6 -10.2 22.7 60 137 A Y H >X>S+ 0 0 22 -4,-2.6 4,-1.9 1,-0.3 5,-1.5 0.952 110.6 54.9 -77.7 -48.8 15.5 -13.8 21.7 61 138 A S H 3<5S+ 0 0 60 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.044 110.0 54.0 -72.5 28.7 13.9 -15.2 24.9 62 139 A S H <45S+ 0 0 41 -3,-0.8 -1,-0.2 -2,-0.5 -2,-0.2 0.493 111.1 38.6-130.6 -35.8 11.2 -12.6 24.1 63 140 A I H <<5S- 0 0 75 -4,-1.2 -2,-0.2 -3,-0.8 -3,-0.2 0.479 116.3-124.4 -80.4 -12.8 10.5 -13.7 20.5 64 141 A K T <5S+ 0 0 150 -4,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.640 77.3 123.1 77.0 20.6 11.0 -17.1 22.1 65 142 A R > < + 0 0 148 -5,-1.5 3,-1.6 -6,-0.2 2,-0.4 0.025 32.2 152.0 -95.4 26.9 13.7 -18.3 19.7 66 143 A S T 3 + 0 0 73 -6,-0.4 3,-0.1 1,-0.2 -9,-0.0 -0.421 66.0 21.3 -66.0 113.2 16.2 -18.9 22.6 67 144 A G T 3 S+ 0 0 47 -2,-0.4 -1,-0.2 1,-0.4 5,-0.1 -0.047 93.1 123.9 120.3 -30.9 18.7 -21.6 21.5 68 145 A S S <> S- 0 0 24 -3,-1.6 4,-3.0 1,-0.1 -1,-0.4 -0.008 75.6-112.7 -59.0 162.4 18.3 -21.4 17.7 69 146 A Q H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 5,-0.4 0.924 119.4 64.3 -57.3 -44.3 21.1 -20.8 15.3 70 147 A A H > S+ 0 0 38 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.909 111.2 36.8 -41.7 -52.2 19.4 -17.4 14.6 71 148 A H H >> S+ 0 0 6 -6,-0.4 4,-1.9 1,-0.2 3,-1.1 0.965 115.0 52.7 -67.6 -55.4 20.2 -16.6 18.2 72 149 A E H 3< S+ 0 0 87 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.590 113.9 44.3 -65.9 -9.2 23.6 -18.4 18.4 73 150 A E H 3< S+ 0 0 120 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.539 104.0 60.3-110.5 -15.6 24.9 -16.5 15.3 74 151 A R H XX S+ 0 0 7 -3,-1.1 4,-1.3 -4,-0.8 3,-0.6 0.872 111.0 44.3 -70.4 -39.3 23.5 -13.1 16.3 75 152 A L H 3X S+ 0 0 23 -4,-1.9 4,-1.3 1,-0.3 2,-0.3 0.758 108.0 59.3 -72.8 -28.5 25.8 -13.6 19.3 76 153 A Q H 34 S+ 0 0 120 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.1 -0.273 109.2 44.6 -91.4 46.0 28.5 -14.8 16.9 77 154 A E H <> S+ 0 0 63 -3,-0.6 4,-3.3 -2,-0.3 -2,-0.2 0.343 108.2 50.4-155.4 -40.2 28.4 -11.4 15.0 78 155 A V H X>S+ 0 0 7 -4,-1.3 4,-3.1 2,-0.3 5,-0.5 0.876 110.9 52.7 -72.4 -43.8 28.4 -8.9 17.8 79 156 A E H X5S+ 0 0 94 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.925 114.7 43.5 -54.4 -39.8 31.4 -10.8 19.1 80 157 A A H >5S+ 0 0 51 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.927 116.5 46.1 -69.9 -46.3 32.7 -10.3 15.6 81 158 A E H X>S+ 0 0 53 -4,-3.3 4,-3.8 2,-0.2 5,-0.6 0.985 115.0 43.5 -62.0 -60.2 31.6 -6.6 15.4 82 159 A V H <5S+ 0 0 13 -4,-3.1 -1,-0.2 3,-0.2 -3,-0.2 0.901 112.7 57.6 -53.9 -42.7 32.8 -5.5 18.9 83 160 A A H < - 0 0 123 -2,-0.2 4,-1.3 1,-0.0 3,-0.3 -0.349 41.0 -92.2 -78.6 170.0 19.4 -4.4 14.1 92 169 A E H >> S+ 0 0 139 1,-0.2 4,-1.2 2,-0.2 3,-1.0 0.935 118.7 28.5 -54.0 -68.9 16.0 -2.8 13.5 93 170 A S H 3> S+ 0 0 62 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.543 108.6 73.6 -79.4 -5.6 13.5 -4.5 15.8 94 171 A E H 3> S+ 0 0 3 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.885 102.2 43.6 -65.3 -40.8 16.3 -5.2 18.3 95 172 A L H < S+ 0 0 45 -4,-2.0 3,-0.8 2,-0.2 -2,-0.2 0.953 116.8 45.8 -62.9 -50.5 10.4 2.1 29.9 104 181 A R H 3< S+ 0 0 23 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.941 114.4 49.0 -57.9 -51.0 9.2 -1.1 31.3 105 182 A N H 3< S+ 0 0 5 -4,-4.3 289,-0.3 -5,-0.1 -1,-0.3 0.690 84.0 109.2 -56.2 -27.2 12.3 -1.5 33.5 106 183 A A X< - 0 0 24 -4,-1.3 3,-1.8 -3,-0.8 287,-0.1 -0.455 55.8-155.2 -81.5 116.7 12.2 2.1 34.9 107 184 A P T 3 S+ 0 0 27 0, 0.0 262,-2.6 0, 0.0 -1,-0.1 0.570 83.4 54.3 -65.9 -21.1 11.3 2.2 38.6 108 185 A R T 3 S+ 0 0 41 260,-0.2 2,-1.0 1,-0.1 260,-0.1 0.443 80.8 103.5 -97.1 -1.1 9.9 5.6 39.1 109 186 A C < - 0 0 43 -3,-1.8 3,-0.2 -6,-0.2 264,-0.1 -0.704 40.3-178.3 -99.6 98.3 7.2 5.5 36.3 110 187 A V S S+ 0 0 21 -2,-1.0 2,-1.7 262,-0.3 3,-0.4 0.799 76.6 74.5 -49.9 -33.7 3.6 5.1 37.4 111 188 A G + 0 0 35 1,-0.2 -1,-0.2 2,-0.1 238,-0.1 -0.301 59.1 113.5 -86.1 59.0 2.6 5.1 33.8 112 189 A R > + 0 0 0 -2,-1.7 3,-1.1 -3,-0.2 -1,-0.2 0.422 49.2 82.0-110.6 3.6 3.7 1.6 32.7 113 190 A I G > S+ 0 0 59 -3,-0.4 3,-0.5 1,-0.2 -1,-0.1 0.925 95.0 51.7 -67.9 -37.0 0.6 -0.2 31.9 114 191 A Q G >> S+ 0 0 69 1,-0.2 3,-1.8 2,-0.1 4,-0.6 0.142 80.1 122.1 -78.0 20.9 0.6 1.5 28.4 115 192 A W G <4 + 0 0 53 -3,-1.1 3,-0.4 1,-0.3 -1,-0.2 0.746 66.3 49.5 -63.3 -32.4 4.2 0.2 28.1 116 193 A G G <4 S+ 0 0 37 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.294 95.1 74.1 -91.4 9.8 3.8 -1.8 25.0 117 194 A K T <4 + 0 0 122 -3,-1.8 -1,-0.2 -17,-0.1 -2,-0.2 0.835 67.4 127.6 -81.0 -32.8 2.1 1.0 23.1 118 195 A L < - 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