==== 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 3NLU . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, ENDOTHELIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR F.XUE,H.LI,J.FANG,S.L.DELKER,T.L.POULOS,R.B.SILVERMAN . 808 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 11.6 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 . 8 1.0 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 . 64 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 27.8 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 1 1 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 . 3 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 . 13 6 10 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 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 90 0, 0.0 2,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 169.1 7.2 -18.3 51.4 2 68 A P - 0 0 62 0, 0.0 2,-1.7 0, 0.0 0, 0.0 -0.317 360.0 -64.1-111.0-169.7 11.0 -18.4 50.6 3 69 A K S S+ 0 0 149 -2,-0.1 14,-0.0 14,-0.0 3,-0.0 -0.275 97.0 101.2 -81.2 52.3 14.1 -16.0 50.7 4 70 A F S S- 0 0 67 -2,-1.7 15,-0.1 17,-0.0 16,-0.0 -0.952 90.6 -80.0-124.9 149.2 12.7 -13.5 48.3 5 71 A P - 0 0 6 0, 0.0 13,-2.2 0, 0.0 2,-0.5 -0.171 42.0-135.1 -46.0 130.9 11.1 -10.2 49.5 6 72 A R E -A 17 0A 71 11,-0.2 2,-0.5 -5,-0.1 11,-0.2 -0.841 21.4-157.6 -93.4 130.7 7.6 -10.7 50.7 7 73 A V E -A 16 0A 10 9,-4.0 9,-1.9 -2,-0.5 2,-0.4 -0.925 7.6-166.8-121.6 117.0 5.3 -7.9 49.3 8 74 A K E -A 15 0A 44 -2,-0.5 381,-2.3 7,-0.2 2,-0.6 -0.768 19.1-151.9-105.8 141.3 2.0 -6.8 50.8 9 75 A N B > -B 388 0B 3 5,-2.9 4,-2.5 -2,-0.4 5,-0.3 -0.945 13.5-162.6 -99.4 117.9 -0.9 -4.7 49.7 10 76 A W T 4 S+ 0 0 84 377,-2.8 378,-0.1 -2,-0.6 -1,-0.1 0.641 84.0 53.8 -82.7 -12.2 -2.4 -3.3 52.9 11 77 A E T 4 S+ 0 0 59 376,-0.4 -1,-0.2 373,-0.2 377,-0.1 0.892 123.6 24.5 -81.4 -44.2 -5.8 -2.3 51.4 12 78 A L T 4 S- 0 0 124 375,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.707 96.6-126.7 -97.4 -23.3 -6.5 -5.7 50.0 13 79 A G < + 0 0 46 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.499 57.3 149.4 86.0 5.2 -4.5 -8.0 52.2 14 80 A S - 0 0 62 -5,-0.3 -5,-2.9 -6,-0.0 2,-0.3 -0.485 30.5-155.8 -79.7 145.1 -2.8 -9.6 49.2 15 81 A I E +A 8 0A 73 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.896 14.9 170.7-120.4 140.1 0.8 -11.0 49.3 16 82 A T E -A 7 0A 48 -9,-1.9 -9,-4.0 -2,-0.3 2,-0.5 -0.973 25.3-134.1-139.9 156.2 3.3 -11.7 46.6 17 83 A Y E -A 6 0A 76 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.2 -0.954 19.5-132.5-108.1 132.6 7.0 -12.6 46.6 18 84 A D + 0 0 5 -13,-2.2 348,-0.2 -2,-0.5 347,-0.1 -0.759 37.3 158.6 -83.6 111.3 9.4 -10.7 44.4 19 85 A T > + 0 0 59 346,-2.5 3,-0.9 -2,-0.8 4,-0.2 0.574 63.9 74.0-104.4 -15.1 11.6 -13.2 42.5 20 86 A L G > S+ 0 0 8 345,-1.3 3,-2.5 1,-0.2 4,-0.2 0.803 79.9 72.6 -64.2 -32.3 12.6 -10.9 39.7 21 87 A C G > S+ 0 0 4 1,-0.3 3,-2.2 344,-0.3 -1,-0.2 0.801 81.9 72.4 -58.5 -25.4 14.9 -9.0 42.0 22 88 A A G < S+ 0 0 44 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.801 88.1 65.0 -55.4 -28.4 17.3 -12.0 41.8 23 89 A Q G < S+ 0 0 113 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.613 74.3 120.9 -69.8 -17.5 18.0 -10.8 38.3 24 90 A S < + 0 0 4 -3,-2.2 371,-0.2 -4,-0.2 3,-0.1 -0.295 34.8 178.4 -62.5 126.4 19.6 -7.6 39.4 25 91 A Q + 0 0 140 369,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.400 62.2 63.6-106.7 1.4 23.2 -7.1 38.3 26 92 A Q B S-C 394 0C 114 368,-0.6 368,-0.6 412,-0.2 -1,-0.1 -0.990 77.7-124.5-137.5 127.2 23.9 -3.7 39.8 27 93 A D - 0 0 104 -2,-0.4 411,-0.2 366,-0.1 366,-0.1 -0.393 20.3-150.1 -65.4 135.9 24.0 -2.5 43.4 28 94 A G - 0 0 31 409,-4.1 -1,-0.1 408,-0.2 411,-0.1 -0.062 37.1 -89.5 -84.1-161.6 21.7 0.4 44.5 29 95 A P S S+ 0 0 41 0, 0.0 2,-0.1 0, 0.0 409,-0.1 0.543 90.1 98.4 -96.1 -6.1 22.7 2.7 47.4 30 96 A C - 0 0 2 406,-0.4 5,-0.2 407,-0.2 -2,-0.1 -0.418 43.6-179.5 -80.8 154.6 21.2 0.9 50.4 31 97 A T B > -D 34 0D 40 3,-1.9 3,-0.8 405,-0.2 404,-0.3 -0.917 47.1 -99.0-135.0 170.5 23.0 -1.3 52.9 32 98 A P T 3 S+ 0 0 51 0, 0.0 401,-3.4 0, 0.0 403,-0.1 0.794 123.7 57.0 -58.8 -26.3 21.7 -3.3 56.0 33 99 A R T 3 S+ 0 0 166 1,-0.2 2,-0.3 399,-0.2 766,-0.2 0.767 121.2 6.2 -75.1 -28.6 23.1 -0.4 58.1 34 100 A R B < -D 31 0D 46 -3,-0.8 -3,-1.9 764,-0.1 2,-0.5 -0.944 60.6-131.8-160.7 139.2 21.0 2.4 56.3 35 101 A C B +E 797 0E 19 762,-2.6 762,-1.3 -2,-0.3 3,-0.2 -0.775 22.1 172.4 -90.5 123.4 18.3 3.0 53.7 36 102 A L > + 0 0 7 -2,-0.5 3,-2.1 760,-0.2 -1,-0.1 0.092 36.7 125.8-116.2 23.0 19.1 5.6 51.2 37 103 A G T 3 + 0 0 21 1,-0.3 -1,-0.1 760,-0.1 335,-0.1 0.565 66.1 58.8 -63.9 -15.0 16.0 5.0 49.0 38 104 A S T 3 S+ 0 0 21 757,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.390 75.2 111.6 -98.0 1.8 14.9 8.6 49.1 39 105 A L < - 0 0 11 -3,-2.1 373,-0.1 1,-0.2 -3,-0.0 -0.647 57.6-152.8 -71.1 128.5 18.0 10.1 47.6 40 106 A V S S+ 0 0 42 -2,-0.4 -1,-0.2 1,-0.2 -3,-0.0 0.933 85.7 28.4 -63.8 -50.9 17.2 11.5 44.1 41 107 A L S S+ 0 0 54 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.961 74.4 169.0-109.3 124.6 20.9 11.0 42.9 42 108 A P 0 0 62 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.858 360.0 360.0-118.3 173.3 23.0 8.3 44.4 43 109 A R 0 0 259 -2,-0.3 -15,-0.0 -14,-0.1 -2,-0.0 0.217 360.0 360.0-153.2 360.0 26.4 7.0 43.4 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 45 121 A P >> 0 0 136 0, 0.0 4,-1.1 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 145.1 36.3 -2.7 28.7 46 122 A A H >> + 0 0 68 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.012 360.0 2.2 45.8-126.7 37.3 -6.4 28.3 47 123 A E H 3> S+ 0 0 155 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.890 125.9 60.9 -61.9 -51.4 35.3 -8.9 30.4 48 124 A Q H <> S+ 0 0 118 -3,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.825 110.0 43.2 -46.1 -41.7 33.0 -6.5 32.1 49 125 A L H S+ 0 0 15 -4,-2.9 5,-3.4 1,-0.3 6,-0.3 0.841 109.6 54.0 -56.8 -37.8 16.7 -14.6 22.8 62 138 A S H ><5S+ 0 0 58 -4,-2.5 3,-1.8 3,-0.2 -1,-0.3 0.907 105.9 53.9 -59.8 -41.1 14.5 -15.5 25.8 63 139 A S H 3<5S+ 0 0 55 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.840 110.5 44.3 -71.4 -29.6 12.0 -12.9 24.8 64 140 A I T 3<5S- 0 0 68 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.275 118.4-116.9 -91.7 12.8 11.7 -14.4 21.3 65 141 A K T < 5S+ 0 0 156 -3,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.836 81.4 118.7 57.8 42.8 11.6 -17.9 23.0 66 142 A R > < + 0 0 130 -5,-3.4 3,-1.6 -6,-0.1 6,-0.3 -0.031 30.2 155.8-127.2 30.8 14.8 -19.1 21.4 67 143 A S T 3 S+ 0 0 72 -6,-0.3 -9,-0.1 1,-0.2 -8,-0.0 -0.457 70.8 12.6 -67.0 122.5 17.1 -19.8 24.4 68 144 A G T 3 S+ 0 0 51 -2,-0.3 -1,-0.2 1,-0.3 2,-0.1 0.295 98.6 133.8 101.0 -3.5 19.9 -22.3 23.7 69 145 A S S <> S- 0 0 20 -3,-1.6 4,-2.7 1,-0.1 5,-0.3 -0.398 70.5-102.6 -90.2 155.0 19.4 -22.3 19.9 70 146 A Q H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.783 121.1 42.1 -27.1 -57.0 21.7 -22.2 16.9 71 147 A A H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 113.5 53.2 -73.3 -41.7 21.0 -18.5 16.1 72 148 A H H > S+ 0 0 10 -6,-0.3 4,-1.6 -3,-0.3 -2,-0.2 0.896 114.6 41.5 -50.3 -49.5 21.1 -17.5 19.8 73 149 A E H X S+ 0 0 93 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.827 114.0 52.4 -75.3 -32.4 24.6 -19.2 20.2 74 150 A E H X S+ 0 0 123 -4,-2.1 4,-1.4 -5,-0.3 -2,-0.2 0.869 108.9 50.1 -69.1 -38.0 25.8 -17.8 16.8 75 151 A R H X S+ 0 0 5 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.881 109.1 51.7 -66.7 -41.0 24.9 -14.3 17.8 76 152 A L H X S+ 0 0 24 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.932 112.6 45.4 -55.2 -47.5 26.7 -14.7 21.1 77 153 A Q H X S+ 0 0 128 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.740 112.2 53.3 -69.9 -27.3 29.8 -15.9 19.1 78 154 A E H X S+ 0 0 84 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.891 108.8 47.7 -74.1 -43.0 29.1 -12.9 16.7 79 155 A V H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.927 113.4 47.9 -63.1 -46.8 29.1 -10.4 19.7 80 156 A E H X S+ 0 0 66 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.964 109.7 53.0 -58.1 -56.5 32.3 -11.9 21.1 81 157 A A H X S+ 0 0 59 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.908 112.4 45.8 -38.1 -54.7 34.0 -11.9 17.7 82 158 A E H X>S+ 0 0 51 -4,-2.2 4,-2.2 1,-0.2 5,-0.7 0.898 113.8 45.7 -65.9 -42.1 33.1 -8.2 17.4 83 159 A V H X5S+ 0 0 13 -4,-2.6 4,-1.4 3,-0.2 -1,-0.2 0.887 109.2 58.5 -71.1 -34.9 34.2 -7.2 20.9 84 160 A A H <5S+ 0 0 88 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.946 116.7 31.2 -56.3 -50.6 37.4 -9.1 20.4 85 161 A S H <5S+ 0 0 101 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.670 137.8 18.6 -89.8 -15.6 38.5 -7.1 17.3 86 162 A T H <5S- 0 0 81 -4,-2.2 -3,-0.2 2,-0.3 -2,-0.2 0.598 89.7-125.6-124.2 -19.9 37.0 -3.7 18.1 87 163 A G S < - 0 0 105 -2,-0.1 4,-2.6 1,-0.1 3,-0.3 -0.607 33.3-102.9 -86.7 157.4 20.5 -5.4 15.5 93 169 A E H > S+ 0 0 148 1,-0.3 4,-2.1 -2,-0.2 3,-0.3 0.927 124.1 40.8 -43.0 -60.2 17.4 -3.4 14.6 94 170 A S H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.773 110.9 58.6 -65.0 -28.8 15.0 -5.7 16.6 95 171 A E H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.897 107.6 46.9 -64.6 -40.4 17.6 -6.0 19.4 96 172 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 -3,-0.3 5,-0.3 0.941 111.4 50.2 -65.3 -47.4 17.4 -2.2 19.9 97 173 A V H X S+ 0 0 45 -4,-2.1 4,-1.9 -5,-0.2 5,-0.2 0.930 112.1 48.6 -54.5 -46.3 13.6 -2.1 19.8 98 174 A F H X S+ 0 0 25 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.889 114.3 45.8 -63.9 -37.6 13.6 -4.9 22.4 99 175 A G H X S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.978 108.5 51.5 -74.1 -58.8 16.0 -3.1 24.6 100 176 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.906 114.2 46.3 -38.3 -54.4 14.6 0.4 24.5 101 177 A K H X S+ 0 0 58 -4,-1.9 4,-2.5 -5,-0.3 3,-0.3 0.950 111.8 51.9 -59.7 -48.2 11.2 -1.1 25.5 102 178 A Q H X S+ 0 0 12 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.915 104.5 55.5 -56.2 -44.9 12.9 -3.2 28.2 103 179 A A H X S+ 0 0 0 -4,-3.4 4,-0.9 2,-0.2 296,-0.4 0.905 110.1 46.9 -53.7 -40.8 14.6 -0.1 29.7 104 180 A W H >< S+ 0 0 35 -4,-1.8 3,-0.7 -3,-0.3 -2,-0.2 0.935 111.6 49.8 -66.0 -47.0 11.1 1.5 30.0 105 181 A R H 3< S+ 0 0 29 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.864 113.5 48.5 -50.4 -42.2 9.7 -1.6 31.6 106 182 A N H 3< S+ 0 0 3 -4,-2.7 289,-0.4 -5,-0.2 -1,-0.2 0.561 79.5 112.1 -83.0 -13.9 12.7 -1.6 34.0 107 183 A A X< - 0 0 21 -4,-0.9 3,-1.6 -3,-0.7 6,-0.1 -0.518 52.6-160.2 -63.0 101.7 12.5 2.1 35.1 108 184 A P T 3 S+ 0 0 29 0, 0.0 262,-2.7 0, 0.0 -1,-0.2 0.654 84.7 56.1 -62.7 -15.2 11.5 1.9 38.8 109 185 A R T 3 S+ 0 0 85 260,-0.2 2,-0.7 264,-0.1 260,-0.1 0.460 81.7 97.8 -99.7 1.2 10.3 5.5 38.8 110 186 A C X - 0 0 40 -3,-1.6 3,-0.7 -6,-0.2 264,-0.1 -0.787 44.1-174.0 -99.3 117.0 7.7 5.5 36.0 111 187 A V T 3 S+ 0 0 27 -2,-0.7 3,-0.4 1,-0.2 -1,-0.1 0.643 79.3 71.9 -76.1 -11.3 4.1 5.1 36.9 112 188 A G T > + 0 0 28 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.127 57.8 116.5 -94.8 24.7 3.2 4.8 33.2 113 189 A R G X + 0 0 0 -3,-0.7 3,-2.1 1,-0.3 4,-0.2 0.576 51.7 82.5 -77.6 -7.3 4.6 1.3 32.5 114 190 A I G 3 S+ 0 0 55 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.825 95.2 53.5 -61.5 -20.7 1.3 -0.3 31.7 115 191 A Q G X S+ 0 0 55 -3,-1.5 3,-2.2 1,-0.2 -1,-0.3 0.385 75.9 112.0 -88.3 -0.8 2.1 1.3 28.3 116 192 A W T < S+ 0 0 60 -3,-2.1 -1,-0.2 1,-0.3 -11,-0.2 0.777 71.5 54.9 -46.6 -36.6 5.6 -0.3 28.1 117 193 A G T 3 S+ 0 0 41 -3,-0.4 2,-0.7 -4,-0.2 -1,-0.3 0.582 97.0 68.2 -80.3 -10.7 4.8 -2.6 25.2 118 194 A K < + 0 0 142 -3,-2.2 2,-0.3 -17,-0.1 34,-0.2 -0.916 66.7 134.3-110.5 102.3 3.6 0.2 22.9 119 195 A L - 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