==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-SEP-09 3JWW . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, ENDOTHELIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.L.DELKER,H.LI,T.L.POULOS . 807 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 11.3 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 . 57 7.1 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 . 225 27.9 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 3 2 0 1 1 2 0 0 0 1 1 0 2 4 0 3 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 12 6 11 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 ANTIPARALLEL BRIDGES PER LADDER . 7 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 0 108 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-165.1 8.5 -19.0 53.8 2 68 A P - 0 0 62 0, 0.0 2,-2.1 0, 0.0 4,-0.0 -0.414 360.0-119.0 -57.4 132.6 10.2 -18.4 50.4 3 69 A K S S+ 0 0 160 -2,-0.1 14,-0.0 14,-0.1 3,-0.0 -0.186 85.0 86.7 -74.1 49.6 13.7 -16.9 50.6 4 70 A F S S- 0 0 78 -2,-2.1 15,-0.1 17,-0.0 0, 0.0 -0.965 94.3 -68.3-145.7 155.1 12.7 -13.8 48.7 5 71 A P - 0 0 11 0, 0.0 13,-2.0 0, 0.0 2,-0.4 -0.151 46.6-141.0 -49.0 128.2 11.3 -10.4 49.6 6 72 A R E -A 17 0A 110 11,-0.2 2,-0.4 9,-0.0 11,-0.2 -0.850 19.2-161.1 -94.4 138.8 7.7 -10.8 50.8 7 73 A V E -A 16 0A 8 9,-2.9 9,-2.2 -2,-0.4 2,-0.4 -0.968 6.1-167.1-135.1 129.2 5.5 -8.0 49.6 8 74 A K E -A 15 0A 49 -2,-0.4 380,-2.6 7,-0.2 2,-0.7 -0.906 21.5-150.5-130.8 144.3 2.1 -6.9 50.9 9 75 A N B > -B 387 0B 4 5,-2.0 4,-2.6 -2,-0.4 5,-0.5 -0.934 14.2-161.4-109.3 108.6 -0.7 -4.7 50.0 10 76 A W T 4 S+ 0 0 87 376,-2.1 377,-0.1 -2,-0.7 -1,-0.1 0.646 84.4 58.8 -73.7 -12.8 -2.2 -3.5 53.2 11 77 A E T 4 S+ 0 0 54 375,-0.5 -1,-0.2 372,-0.2 376,-0.1 0.907 121.8 20.9 -75.6 -45.5 -5.6 -2.5 51.6 12 78 A L T 4 S- 0 0 127 -3,-0.4 -2,-0.2 374,-0.2 -1,-0.1 0.589 97.5-126.4-103.1 -13.0 -6.5 -5.9 50.2 13 79 A G < + 0 0 43 -4,-2.6 -3,-0.2 1,-0.2 2,-0.1 0.517 57.0 148.4 80.7 5.7 -4.3 -8.1 52.5 14 80 A S - 0 0 62 -5,-0.5 -5,-2.0 -6,-0.0 2,-0.3 -0.422 31.6-152.8 -79.5 149.5 -2.7 -9.9 49.5 15 81 A I E +A 8 0A 62 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.915 16.3 169.1-122.1 140.8 0.9 -11.2 49.5 16 82 A T E -A 7 0A 49 -9,-2.2 -9,-2.9 -2,-0.3 2,-0.4 -0.959 25.0-133.2-140.0 166.4 3.5 -11.8 46.8 17 83 A Y E -A 6 0A 58 -2,-0.3 2,-0.8 -11,-0.2 -11,-0.2 -0.980 17.6-134.5-119.9 134.3 7.2 -12.7 46.7 18 84 A D + 0 0 5 -13,-2.0 347,-0.2 -2,-0.4 346,-0.1 -0.785 33.8 161.8 -89.4 110.2 9.6 -10.8 44.4 19 85 A T > + 0 0 64 345,-2.6 3,-0.9 -2,-0.8 346,-0.2 0.547 64.7 75.3-100.0 -11.7 11.8 -13.4 42.6 20 86 A L G > S+ 0 0 11 344,-1.6 3,-2.5 1,-0.2 4,-0.2 0.812 76.9 73.9 -69.7 -32.7 12.8 -11.0 39.9 21 87 A C G > S+ 0 0 4 1,-0.3 3,-1.3 343,-0.3 -1,-0.2 0.657 79.9 75.5 -56.1 -17.7 15.2 -9.0 42.1 22 88 A A G < S+ 0 0 51 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.616 86.2 64.6 -68.8 -12.2 17.6 -11.9 41.9 23 89 A Q G < S+ 0 0 105 -3,-2.5 -1,-0.3 -4,-0.1 -2,-0.2 0.630 72.5 118.8 -89.4 -14.4 18.4 -10.7 38.4 24 90 A S < + 0 0 5 -3,-1.3 370,-0.2 -4,-0.2 -3,-0.0 -0.299 34.5 178.7 -58.9 119.7 20.0 -7.4 39.5 25 91 A Q + 0 0 153 368,-0.4 2,-0.4 -2,-0.1 -1,-0.1 0.506 64.9 69.6 -97.6 -1.4 23.7 -7.0 38.4 26 92 A Q B S-C 393 0C 109 367,-0.7 367,-0.6 411,-0.1 2,-0.3 -0.917 74.3-134.9-122.4 138.3 24.0 -3.5 39.9 27 93 A D - 0 0 106 -2,-0.4 410,-0.2 1,-0.1 365,-0.1 -0.724 14.4-152.3 -88.6 137.3 24.0 -2.3 43.6 28 94 A G - 0 0 33 408,-3.0 -1,-0.1 -2,-0.3 410,-0.1 0.053 37.7 -90.0 -85.4-155.8 21.9 0.7 44.7 29 95 A P S S+ 0 0 47 0, 0.0 2,-0.1 0, 0.0 408,-0.1 0.403 87.9 98.4-108.4 4.1 22.9 2.8 47.7 30 96 A C - 0 0 1 405,-0.3 5,-0.2 406,-0.2 -2,-0.1 -0.442 44.1-178.3 -83.3 164.0 21.2 1.0 50.7 31 97 A T B > -D 34 0D 43 3,-1.2 3,-1.2 404,-0.2 403,-0.3 -0.960 47.3 -91.5-155.1 163.1 22.8 -1.4 53.2 32 98 A P T 3 S+ 0 0 53 0, 0.0 400,-4.4 0, 0.0 402,-0.2 0.810 125.5 51.9 -41.9 -41.9 21.7 -3.4 56.2 33 99 A R T 3 S+ 0 0 99 398,-0.3 765,-0.5 1,-0.2 2,-0.3 0.782 120.2 10.2 -71.2 -37.9 22.8 -0.4 58.4 34 100 A R B < -D 31 0D 32 -3,-1.2 -3,-1.2 763,-0.1 2,-0.5 -0.926 60.7-133.5-155.3 131.7 20.9 2.5 56.6 35 101 A C B +E 796 0E 23 761,-1.5 761,-2.0 -2,-0.3 3,-0.2 -0.669 19.8 175.9 -75.7 127.3 18.3 3.0 54.0 36 102 A L > + 0 0 11 -2,-0.5 3,-1.0 759,-0.2 -1,-0.1 -0.159 39.1 123.9-124.7 38.5 19.2 5.7 51.5 37 103 A G T 3 + 0 0 24 1,-0.3 334,-0.1 -9,-0.0 -1,-0.1 0.532 64.0 60.5 -91.5 -8.9 16.0 5.2 49.3 38 104 A S T 3 S+ 0 0 21 756,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.309 77.1 112.9 -93.6 4.4 14.8 8.7 49.5 39 105 A L < - 0 0 11 -3,-1.0 372,-0.1 1,-0.2 -3,-0.1 -0.690 58.6-151.8 -82.4 130.5 17.9 10.1 47.8 40 106 A V S S+ 0 0 35 -2,-0.4 -1,-0.2 1,-0.3 -3,-0.0 0.946 82.9 6.6 -69.5 -53.3 17.2 11.5 44.3 41 107 A L - 0 0 69 -3,-0.1 2,-0.4 359,-0.0 -1,-0.3 -0.993 69.1-173.7-119.6 136.9 20.7 10.8 43.0 42 108 A P 0 0 62 0, 0.0 -6,-0.0 0, 0.0 -3,-0.0 -0.998 360.0 360.0-121.9 148.2 23.4 8.9 44.9 43 109 A R 0 0 251 -2,-0.4 0, 0.0 -14,-0.1 0, 0.0 0.850 360.0 360.0 -72.1 360.0 27.0 8.6 43.6 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 45 122 A A >> 0 0 84 0, 0.0 4,-2.4 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -91.3 36.4 -5.6 28.5 46 123 A E H 3> + 0 0 153 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.743 360.0 62.5 -66.7 -22.2 35.2 -8.9 30.2 47 124 A Q H 3> S+ 0 0 131 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.844 105.5 43.2 -65.0 -35.9 33.0 -6.3 31.9 48 125 A L H <> S+ 0 0 28 -3,-0.7 4,-3.1 2,-0.2 -2,-0.2 0.906 112.4 53.3 -75.7 -43.0 31.5 -5.5 28.5 49 126 A L H X S+ 0 0 18 -4,-2.4 4,-3.5 1,-0.2 5,-0.2 0.937 107.5 47.8 -59.5 -50.6 31.3 -9.1 27.5 50 127 A S H X S+ 0 0 57 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.843 115.5 46.2 -64.2 -34.0 29.3 -10.4 30.5 51 128 A Q H X S+ 0 0 69 -4,-1.0 4,-1.8 2,-0.2 3,-0.3 0.908 114.1 49.1 -70.5 -45.9 26.9 -7.4 30.2 52 129 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.941 109.2 51.7 -55.3 -51.5 26.6 -8.1 26.5 53 130 A R H X S+ 0 0 97 -4,-3.5 4,-1.9 1,-0.3 -1,-0.2 0.760 108.7 50.9 -60.0 -29.1 26.0 -11.8 26.9 54 131 A D H X S+ 0 0 45 -4,-1.0 4,-1.9 -3,-0.3 -1,-0.3 0.810 108.7 50.7 -84.6 -35.6 23.2 -11.2 29.4 55 132 A F H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.961 110.5 49.4 -63.8 -47.2 21.5 -8.8 27.1 56 133 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.900 109.8 51.4 -58.7 -43.7 21.7 -11.3 24.2 57 134 A N H X S+ 0 0 63 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.846 110.2 49.7 -61.0 -38.7 20.3 -14.1 26.5 58 135 A Q H X S+ 0 0 33 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.900 110.6 51.5 -64.0 -40.3 17.4 -11.7 27.4 59 136 A Y H >X S+ 0 0 27 -4,-2.6 4,-1.1 1,-0.2 3,-0.7 0.983 111.4 44.8 -60.6 -59.2 16.9 -11.0 23.7 60 137 A Y H 3<>S+ 0 0 13 -4,-2.8 5,-3.3 1,-0.2 6,-0.3 0.773 111.7 53.8 -55.9 -31.7 16.7 -14.6 22.7 61 138 A S H ><5S+ 0 0 56 -4,-1.6 3,-1.1 3,-0.2 -1,-0.2 0.814 102.4 57.6 -72.4 -33.2 14.4 -15.5 25.7 62 139 A S H <<5S+ 0 0 55 -4,-1.7 -1,-0.2 -3,-0.7 -2,-0.2 0.786 113.0 39.6 -71.7 -25.7 11.9 -12.8 24.8 63 140 A I T 3<5S- 0 0 72 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.144 116.6-115.1-105.4 14.3 11.5 -14.4 21.3 64 141 A K T < 5S+ 0 0 156 -3,-1.1 -3,-0.2 -5,-0.1 -4,-0.1 0.802 83.2 115.8 60.4 41.1 11.6 -18.0 22.8 65 142 A R > < + 0 0 139 -5,-3.3 3,-1.4 -6,-0.1 2,-0.4 -0.074 31.2 151.1-126.8 27.1 14.8 -19.1 21.1 66 143 A S T 3 S+ 0 0 72 -6,-0.3 -9,-0.0 1,-0.2 -8,-0.0 -0.535 72.8 17.2 -70.5 120.0 16.9 -19.6 24.2 67 144 A G T 3 S+ 0 0 53 -2,-0.4 -1,-0.2 1,-0.3 5,-0.1 -0.061 96.0 131.7 109.6 -27.3 19.5 -22.3 23.4 68 145 A S S <> S- 0 0 28 -3,-1.4 4,-2.5 1,-0.1 -1,-0.3 0.098 70.3-112.9 -59.7 167.0 19.1 -22.1 19.7 69 146 A Q H > S+ 0 0 126 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.826 119.6 56.0 -69.6 -33.7 22.0 -21.9 17.1 70 147 A A H > S+ 0 0 37 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.934 109.7 48.2 -61.1 -43.8 20.9 -18.4 16.2 71 148 A H H > S+ 0 0 7 -6,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.947 115.7 40.7 -62.0 -53.7 21.3 -17.6 19.9 72 149 A E H X S+ 0 0 100 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.806 115.2 53.3 -67.9 -29.7 24.7 -19.1 20.2 73 150 A E H X S+ 0 0 118 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.889 107.8 49.6 -73.3 -39.3 25.8 -17.8 16.8 74 151 A R H X S+ 0 0 5 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.869 111.4 50.2 -62.3 -39.0 24.8 -14.2 17.9 75 152 A L H X S+ 0 0 22 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.959 110.7 48.9 -59.6 -51.4 26.8 -14.7 21.1 76 153 A Q H X S+ 0 0 133 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.815 112.5 50.3 -54.9 -36.4 29.8 -15.9 19.0 77 154 A E H X S+ 0 0 80 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.873 108.5 50.0 -71.5 -44.9 29.3 -12.9 16.8 78 155 A V H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.934 112.4 46.2 -65.3 -47.6 29.2 -10.3 19.7 79 156 A E H X S+ 0 0 74 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.881 111.0 52.4 -65.1 -37.5 32.3 -11.6 21.4 80 157 A A H X S+ 0 0 60 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.2 0.933 109.2 51.2 -62.9 -42.9 34.3 -11.7 18.1 81 158 A E H X S+ 0 0 52 -4,-2.2 4,-1.2 2,-0.2 3,-0.4 0.902 114.6 42.3 -60.4 -41.2 33.3 -8.1 17.4 82 159 A V H >X S+ 0 0 14 -4,-2.1 4,-3.0 1,-0.2 3,-1.0 0.974 108.6 57.8 -71.3 -50.0 34.5 -7.0 20.9 83 160 A A H 3< S+ 0 0 93 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.678 117.4 35.6 -49.6 -22.1 37.7 -9.1 20.8 84 161 A S H 3< S+ 0 0 93 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.588 133.9 17.3-111.0 -16.2 38.7 -7.3 17.6 85 162 A T H << S- 0 0 79 -4,-1.2 -3,-0.2 -3,-1.0 -2,-0.2 0.403 90.7-118.4-138.1 -5.2 37.4 -3.7 18.1 86 163 A G S < S+ 0 0 46 -4,-3.0 2,-0.2 -5,-0.2 -4,-0.2 0.005 91.8 51.0 84.3 -33.4 36.7 -3.1 21.8 87 164 A T - 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0 0 21 -3,-1.4 3,-1.2 -4,-0.7 6,-0.1 -0.419 47.3-165.9 -71.0 110.3 12.4 2.0 35.2 107 184 A P T 3 S+ 0 0 33 0, 0.0 262,-2.1 0, 0.0 -1,-0.2 0.838 83.7 52.1 -74.6 -25.1 11.5 2.1 39.0 108 185 A R T 3 S+ 0 0 59 260,-0.2 2,-0.5 264,-0.1 260,-0.1 0.404 88.6 99.3 -87.4 2.1 10.4 5.7 39.1 109 186 A C < + 0 0 40 -3,-1.2 3,-0.4 -6,-0.2 264,-0.1 -0.822 42.7 179.7 -99.7 127.7 7.9 5.4 36.2 110 187 A V S S+ 0 0 25 -2,-0.5 3,-0.3 1,-0.2 -1,-0.1 0.466 75.9 67.5-103.0 -10.5 4.2 4.9 36.9 111 188 A G > + 0 0 30 1,-0.2 3,-1.9 2,-0.1 -1,-0.2 0.221 61.9 117.8 -92.9 16.5 3.0 4.8 33.3 112 189 A R G > + 0 0 0 -3,-0.4 3,-2.9 1,-0.3 4,-0.3 0.660 51.3 84.3 -64.1 -13.3 4.7 1.4 32.5 113 190 A I G 3 S+ 0 0 60 -3,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.906 94.1 51.0 -54.5 -30.5 1.4 -0.4 31.8 114 191 A Q G X S+ 0 0 64 -3,-1.9 3,-2.6 1,-0.2 -1,-0.3 0.482 78.8 113.6 -75.6 -4.6 2.0 1.2 28.4 115 192 A W T < S+ 0 0 62 -3,-2.9 -1,-0.2 1,-0.3 -11,-0.2 0.719 70.8 53.8 -47.4 -34.3 5.7 -0.2 28.2 116 193 A G T 3 S+ 0 0 38 -3,-0.4 2,-0.8 -4,-0.3 -1,-0.3 0.676 97.9 69.2 -77.8 -14.9 5.1 -2.6 25.2 117 194 A K < + 0 0 153 -3,-2.6 2,-0.4 -17,-0.1 34,-0.3 -0.774 66.8 133.4-108.2 80.5 3.7 0.2 23.0 118 195 A L - 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