==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-JUN-10 3NLG . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, ENDOTHELIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.JI,S.L.DELKER,H.LI,P.MARTASEK,L.ROMAN,T.L.POULOS,R.B.SILVE . 808 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 525 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 . 55 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.4 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 . 17 2.1 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 5 1 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 . 2 2 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 . 12 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 . 8 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 0 106 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-133.6 8.1 -19.1 53.7 2 68 A P - 0 0 61 0, 0.0 2,-1.7 0, 0.0 4,-0.0 -0.399 360.0-122.7 -62.9 138.9 9.8 -18.3 50.3 3 69 A K S S+ 0 0 169 -2,-0.1 14,-0.0 14,-0.1 3,-0.0 -0.308 83.4 86.8 -85.7 56.7 13.3 -16.6 50.6 4 70 A F S S- 0 0 76 -2,-1.7 15,-0.1 17,-0.0 0, 0.0 -0.958 96.4 -70.9-146.8 150.7 12.4 -13.6 48.6 5 71 A P - 0 0 12 0, 0.0 13,-2.4 0, 0.0 2,-0.4 -0.200 46.0-135.0 -49.3 131.4 10.9 -10.3 49.8 6 72 A R E -A 17 0A 115 11,-0.2 2,-0.5 9,-0.0 11,-0.2 -0.782 21.3-158.8 -88.3 135.7 7.2 -10.6 50.8 7 73 A V E -A 16 0A 9 9,-3.7 9,-2.4 -2,-0.4 2,-0.4 -0.977 6.4-164.5-129.5 121.4 5.2 -7.8 49.5 8 74 A K E -A 15 0A 51 -2,-0.5 380,-2.2 7,-0.2 2,-0.6 -0.846 18.2-150.7-114.3 136.2 1.8 -6.8 50.9 9 75 A N B > -B 387 0B 2 5,-2.7 4,-2.4 -2,-0.4 5,-0.4 -0.923 13.0-162.7 -94.6 121.8 -1.0 -4.6 49.7 10 76 A W T 4 S+ 0 0 80 376,-3.4 377,-0.1 -2,-0.6 -1,-0.1 0.684 84.6 54.9 -84.4 -17.9 -2.7 -3.1 52.9 11 77 A E T 4 S+ 0 0 64 375,-0.3 -1,-0.2 372,-0.2 376,-0.1 0.937 124.4 24.0 -71.5 -47.6 -6.0 -2.1 51.2 12 78 A L T 4 S- 0 0 124 374,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.727 95.3-131.0 -96.7 -24.6 -6.7 -5.6 50.0 13 79 A G < + 0 0 46 -4,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.541 56.9 143.7 82.1 10.6 -4.6 -7.8 52.3 14 80 A S - 0 0 60 -5,-0.4 -5,-2.7 1,-0.0 2,-0.3 -0.544 36.0-148.0 -88.6 153.6 -3.0 -9.7 49.5 15 81 A I E +A 8 0A 62 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.877 17.0 172.5-122.0 140.7 0.5 -11.0 49.4 16 82 A T E -A 7 0A 44 -9,-2.4 -9,-3.7 -2,-0.3 2,-0.4 -0.935 22.5-136.6-135.5 165.3 3.1 -11.5 46.7 17 83 A Y E -A 6 0A 62 -2,-0.3 2,-0.7 -11,-0.2 -11,-0.2 -0.979 17.7-133.7-119.0 137.5 6.8 -12.5 46.7 18 84 A D + 0 0 5 -13,-2.4 347,-0.2 -2,-0.4 346,-0.1 -0.816 36.0 157.9 -96.2 116.0 9.3 -10.7 44.5 19 85 A T > + 0 0 58 345,-2.5 3,-1.2 -2,-0.7 4,-0.2 0.538 64.2 77.0-107.8 -15.1 11.7 -13.2 42.7 20 86 A L G > S+ 0 0 12 344,-1.6 3,-2.6 1,-0.2 4,-0.2 0.829 79.1 72.4 -61.8 -32.7 12.6 -10.8 39.9 21 87 A C G > S+ 0 0 5 1,-0.3 3,-1.6 343,-0.3 -1,-0.2 0.737 81.6 73.2 -59.1 -20.3 14.9 -8.9 42.2 22 88 A A G < S+ 0 0 41 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.765 89.1 60.9 -60.9 -26.5 17.2 -12.0 41.9 23 89 A Q G < S+ 0 0 116 -3,-2.6 -1,-0.3 -4,-0.2 2,-0.2 0.546 77.1 117.8 -77.8 -12.3 18.0 -10.8 38.4 24 90 A S < + 0 0 3 -3,-1.6 370,-0.2 -4,-0.2 3,-0.0 -0.399 34.5 175.0 -67.3 125.8 19.5 -7.5 39.6 25 91 A Q + 0 0 150 368,-0.5 2,-0.4 -2,-0.2 -1,-0.1 0.349 58.4 73.8-111.3 7.1 23.2 -7.1 38.8 26 92 A Q B S-C 393 0C 82 367,-0.7 367,-0.7 411,-0.2 2,-0.2 -0.979 75.1-128.5-131.1 125.9 23.6 -3.5 40.0 27 93 A D - 0 0 110 -2,-0.4 410,-0.2 365,-0.1 365,-0.1 -0.463 18.9-151.5 -73.4 141.2 23.8 -2.3 43.7 28 94 A G - 0 0 32 408,-3.8 -1,-0.1 407,-0.2 410,-0.1 -0.103 35.9 -89.6 -91.3-162.2 21.6 0.5 44.9 29 95 A P S S+ 0 0 44 0, 0.0 2,-0.1 0, 0.0 408,-0.1 0.551 90.5 96.8 -91.7 -7.6 22.4 3.0 47.7 30 96 A C + 0 0 2 405,-0.4 5,-0.2 406,-0.2 -2,-0.1 -0.412 43.7 179.6 -88.6 153.9 20.9 1.0 50.7 31 97 A T B > -D 34 0D 44 3,-1.8 3,-0.7 404,-0.1 403,-0.3 -0.911 47.7 -98.6-138.5 168.0 22.7 -1.3 53.2 32 98 A P T 3 S+ 0 0 52 0, 0.0 400,-3.4 0, 0.0 402,-0.2 0.861 123.3 56.0 -55.3 -32.5 21.4 -3.2 56.2 33 99 A R T 3 S+ 0 0 144 1,-0.2 766,-0.4 398,-0.2 2,-0.3 0.785 121.5 5.8 -68.6 -33.2 22.6 -0.3 58.4 34 100 A R B < -D 31 0D 42 -3,-0.7 -3,-1.8 764,-0.1 2,-0.4 -0.942 61.9-131.6-162.7 134.0 20.7 2.4 56.7 35 101 A C B +E 797 0E 19 762,-2.7 762,-1.9 -2,-0.3 3,-0.2 -0.749 18.6 175.8 -90.1 128.8 18.1 3.0 54.0 36 102 A L > + 0 0 11 -2,-0.4 3,-2.0 760,-0.2 -1,-0.1 -0.017 40.0 125.2-118.0 24.6 18.9 5.7 51.4 37 103 A G T 3 + 0 0 19 1,-0.3 334,-0.1 760,-0.1 -1,-0.1 0.636 66.6 59.0 -66.8 -17.5 15.8 5.0 49.4 38 104 A S T 3 S+ 0 0 23 757,-0.5 2,-0.3 -3,-0.2 -1,-0.3 0.392 77.9 111.6 -93.4 -0.3 14.6 8.7 49.5 39 105 A L < - 0 0 10 -3,-2.0 -3,-0.1 1,-0.1 372,-0.1 -0.623 57.7-152.1 -76.3 133.5 17.7 10.1 47.9 40 106 A V S S+ 0 0 31 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.964 85.7 17.5 -69.0 -54.6 17.1 11.5 44.4 41 107 A L 0 0 74 359,-0.0 -1,-0.3 0, 0.0 0, 0.0 -0.983 360.0 360.0-117.4 119.6 20.7 10.9 43.1 42 108 A P 0 0 115 0, 0.0 -2,-0.0 0, 0.0 -14,-0.0 -0.270 360.0 360.0-124.5 360.0 22.8 8.5 44.9 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 0 139 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-151.4 37.6 -3.0 30.3 45 122 A A H > + 0 0 50 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.670 360.0 70.8 -70.5 -21.4 36.3 -5.7 28.0 46 123 A E H > S+ 0 0 158 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.978 106.0 36.7 -51.9 -60.2 35.9 -8.2 31.0 47 124 A Q H > S+ 0 0 130 -3,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.838 116.8 52.3 -66.4 -39.6 32.9 -6.2 32.3 48 125 A L H X S+ 0 0 30 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.901 105.5 54.1 -65.2 -42.5 31.4 -5.3 28.9 49 126 A L H X S+ 0 0 30 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.902 108.4 46.5 -67.6 -42.7 31.3 -8.8 27.6 50 127 A S H X S+ 0 0 53 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.850 112.1 51.9 -68.9 -33.9 29.4 -10.3 30.4 51 128 A Q H X S+ 0 0 62 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.930 111.7 47.9 -62.3 -45.2 26.9 -7.4 30.3 52 129 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.940 109.7 51.7 -59.1 -49.6 26.5 -8.1 26.6 53 130 A R H X S+ 0 0 92 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.922 109.7 50.3 -53.9 -47.1 26.0 -11.9 27.1 54 131 A D H X S+ 0 0 53 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.914 111.6 47.9 -58.7 -46.6 23.3 -11.2 29.7 55 132 A F H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.921 112.1 47.9 -62.1 -45.9 21.5 -8.8 27.3 56 133 A I H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.908 110.6 52.8 -61.7 -44.2 21.7 -11.3 24.3 57 134 A N H X S+ 0 0 63 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.855 110.1 49.7 -52.5 -41.1 20.4 -14.0 26.7 58 135 A Q H X S+ 0 0 47 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.889 110.6 48.4 -68.3 -41.1 17.6 -11.7 27.5 59 136 A Y H X S+ 0 0 28 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.974 113.7 46.5 -62.9 -52.9 16.8 -11.0 23.9 60 137 A Y H <>S+ 0 0 22 -4,-3.0 5,-2.8 1,-0.3 6,-0.4 0.856 110.8 51.5 -62.2 -38.0 16.8 -14.7 23.0 61 138 A S H ><5S+ 0 0 60 -4,-2.2 3,-1.4 3,-0.2 -1,-0.3 0.899 107.0 55.7 -59.7 -40.2 14.7 -15.7 26.0 62 139 A S H 3<5S+ 0 0 50 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.764 111.0 42.2 -70.7 -27.6 12.1 -13.0 25.0 63 140 A I T 3<5S- 0 0 69 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.224 116.4-115.6 -97.2 10.7 11.7 -14.4 21.5 64 141 A K T < 5S+ 0 0 157 -3,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.800 85.6 111.7 65.1 33.2 11.7 -18.0 22.9 65 142 A R > < + 0 0 145 -5,-2.8 3,-1.3 -6,-0.1 6,-0.4 -0.037 35.7 150.3-126.9 31.4 14.9 -19.1 21.2 66 143 A S T 3 S+ 0 0 78 -6,-0.4 3,-0.1 1,-0.2 -9,-0.1 -0.491 70.3 14.4 -71.9 128.3 17.3 -19.5 24.2 67 144 A G T 3 S+ 0 0 52 1,-0.3 -1,-0.2 -2,-0.3 -10,-0.0 0.267 98.1 133.8 92.6 -8.6 20.0 -22.2 23.8 68 145 A S S <> S- 0 0 37 -3,-1.3 4,-2.4 1,-0.1 -1,-0.3 -0.171 73.2-107.2 -72.8 165.2 19.4 -22.3 20.1 69 146 A Q H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.889 121.5 51.0 -60.6 -39.2 22.1 -22.3 17.4 70 147 A A H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.832 109.5 51.7 -68.9 -32.2 21.1 -18.7 16.4 71 148 A H H > S+ 0 0 7 -6,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.940 112.3 44.6 -65.6 -47.3 21.4 -17.7 20.0 72 149 A E H X S+ 0 0 100 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.830 112.9 51.4 -68.1 -34.7 24.9 -19.2 20.3 73 150 A E H X S+ 0 0 101 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.849 109.2 50.0 -70.5 -37.3 26.1 -17.7 17.0 74 151 A R H X S+ 0 0 5 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.890 111.1 49.7 -67.5 -39.0 24.9 -14.3 18.1 75 152 A L H X S+ 0 0 23 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.909 113.0 46.9 -61.0 -44.0 26.8 -14.8 21.3 76 153 A Q H X S+ 0 0 135 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.876 111.6 50.7 -66.3 -41.3 29.9 -15.9 19.4 77 154 A E H X S+ 0 0 82 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.852 109.9 50.9 -62.9 -37.9 29.5 -12.9 17.0 78 155 A V H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.929 110.8 48.4 -67.8 -43.4 29.3 -10.5 19.9 79 156 A E H X S+ 0 0 73 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.935 111.6 49.2 -62.9 -46.7 32.4 -11.9 21.5 80 157 A A H X S+ 0 0 59 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.868 110.2 51.1 -58.6 -41.2 34.4 -11.7 18.2 81 158 A E H X S+ 0 0 53 -4,-1.8 4,-2.1 2,-0.2 6,-0.5 0.893 114.0 43.1 -67.7 -40.7 33.3 -8.1 17.6 82 159 A V H X S+ 0 0 7 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.926 108.8 61.2 -67.4 -43.5 34.4 -7.0 21.1 83 160 A A H < S+ 0 0 88 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.769 117.8 27.3 -52.1 -34.1 37.6 -9.1 20.7 84 161 A S H < S+ 0 0 102 -4,-1.3 -1,-0.2 3,-0.2 -2,-0.2 0.722 135.0 25.0-106.2 -23.7 38.7 -7.0 17.7 85 162 A T H < S- 0 0 77 -4,-2.1 -3,-0.2 2,-0.4 -2,-0.2 0.562 92.3-122.0-116.6 -15.8 37.2 -3.5 18.2 86 163 A G S < S+ 0 0 39 -4,-2.3 2,-0.2 -5,-0.4 -4,-0.2 0.260 90.6 50.7 90.7 -12.5 36.6 -3.2 22.0 87 164 A T - 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0 0 23 -3,-1.1 3,-1.4 -4,-0.5 6,-0.1 -0.491 48.8-163.7 -72.3 108.5 12.4 2.1 35.2 107 184 A P T 3 S+ 0 0 31 0, 0.0 262,-2.3 0, 0.0 -1,-0.2 0.723 83.8 55.6 -66.4 -19.4 11.4 2.1 39.0 108 185 A R T 3 S+ 0 0 57 260,-0.2 2,-0.6 264,-0.1 260,-0.1 0.487 85.3 95.7 -96.0 -3.0 10.3 5.7 39.0 109 186 A C X - 0 0 37 -3,-1.4 3,-0.6 -6,-0.2 264,-0.1 -0.803 43.3-177.6 -98.2 120.8 7.8 5.6 36.2 110 187 A V T 3 S+ 0 0 22 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.543 78.2 72.8 -85.1 -12.4 4.1 5.1 37.0 111 188 A G T > + 0 0 30 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.268 60.0 117.7 -86.4 16.5 3.2 5.0 33.2 112 189 A R G X + 0 0 0 -3,-0.6 3,-2.1 1,-0.3 4,-0.2 0.586 49.8 81.6 -70.4 -12.0 4.6 1.5 32.7 113 190 A I G 3 S+ 0 0 55 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.749 94.2 53.6 -57.6 -21.1 1.4 -0.3 31.7 114 191 A Q G X S+ 0 0 58 -3,-1.8 3,-2.7 1,-0.2 -1,-0.3 0.400 75.2 112.5 -91.2 -0.5 2.1 1.3 28.2 115 192 A W T < S+ 0 0 59 -3,-2.1 -1,-0.2 1,-0.3 -11,-0.2 0.734 70.8 56.3 -51.0 -32.7 5.7 -0.2 28.1 116 193 A G T 3 S+ 0 0 43 -3,-0.3 2,-0.7 -4,-0.2 -1,-0.3 0.616 98.6 67.3 -75.3 -14.6 4.9 -2.5 25.2 117 194 A K < + 0 0 156 -3,-2.7 2,-0.3 -17,-0.1 34,-0.2 -0.867 66.0 132.2-112.2 95.8 3.8 0.3 23.0 118 195 A L - 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