==== 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 3N60 . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.LI,S.L.DELKER,T.L.POULOS . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 536 65.5 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 . 84 10.3 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 . 65 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 27.5 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 2 0 2 0 1 1 0 0 2 0 0 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 8 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 . 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 1 299 A R 0 0 214 0, 0.0 2,-0.5 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 -37.3 21.8 27.2 40.1 2 300 A F - 0 0 151 17,-0.1 2,-0.4 16,-0.0 15,-0.2 -1.000 360.0-158.8-109.2 120.9 24.7 24.7 40.4 3 301 A L E -A 16 0A 40 13,-2.5 13,-3.9 -2,-0.5 2,-0.4 -0.883 4.7-144.1-111.5 137.6 23.0 21.5 41.4 4 302 A K E -A 15 0A 144 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.757 11.4-170.6 -99.9 140.0 24.7 18.5 43.1 5 303 A V E -A 14 0A 0 9,-2.9 9,-3.1 -2,-0.4 2,-0.3 -1.000 9.7-158.6-126.0 134.3 24.0 14.8 42.6 6 304 A K E -A 13 0A 53 -2,-0.4 380,-2.4 7,-0.2 2,-0.6 -0.845 15.1-140.7-110.8 147.4 25.4 12.1 44.8 7 305 A N B > -B 385 0B 9 5,-2.5 4,-1.4 -2,-0.3 378,-0.2 -0.935 11.6-158.9-101.2 121.0 26.0 8.4 44.2 8 306 A W T 4 S+ 0 0 86 376,-2.9 377,-0.1 -2,-0.6 -1,-0.1 0.588 89.8 50.2 -82.0 -9.5 25.2 6.6 47.5 9 307 A E T 4 S+ 0 0 35 375,-0.2 -1,-0.2 372,-0.1 376,-0.1 0.843 125.5 22.2 -89.6 -41.9 27.2 3.6 46.5 10 308 A T T 4 S- 0 0 86 2,-0.1 -2,-0.2 374,-0.1 3,-0.1 0.404 92.3-129.0-107.0 -2.0 30.5 5.4 45.5 11 309 A D < + 0 0 108 -4,-1.4 -3,-0.1 1,-0.2 2,-0.1 0.367 57.3 150.0 58.9 -2.9 30.2 8.7 47.4 12 310 A V - 0 0 65 -6,-0.1 -5,-2.5 -5,-0.0 2,-0.4 -0.334 31.6-157.0 -59.0 133.6 31.0 10.4 44.1 13 311 A V E -A 6 0A 73 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.944 7.8-168.7-118.6 136.7 29.3 13.9 43.7 14 312 A L E -A 5 0A 32 -9,-3.1 -9,-2.9 -2,-0.4 2,-0.6 -0.944 15.3-134.9-128.6 147.9 28.6 15.6 40.4 15 313 A T E -A 4 0A 60 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.900 13.3-154.4-107.2 120.1 27.5 19.2 39.5 16 314 A D E +A 3 0A 0 -13,-3.9 -13,-2.5 -2,-0.6 347,-0.2 -0.822 29.6 154.1 -94.7 125.2 24.7 19.9 37.0 17 315 A T > + 0 0 50 345,-2.9 3,-1.1 -2,-0.5 346,-0.2 0.407 62.4 80.0-115.0 -11.0 24.8 23.2 35.2 18 316 A L G > S+ 0 0 10 344,-1.8 3,-2.5 1,-0.2 345,-0.2 0.813 73.9 76.5 -70.3 -29.3 22.8 22.0 32.1 19 317 A H G > S+ 0 0 15 343,-0.3 3,-2.4 1,-0.3 -1,-0.2 0.721 77.2 74.8 -54.5 -24.3 19.5 22.3 33.8 20 318 A L G < S+ 0 0 87 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.590 92.8 55.0 -69.9 -6.3 19.6 26.0 33.4 21 319 A K G < S+ 0 0 137 -3,-2.5 372,-0.3 -4,-0.1 -1,-0.3 0.304 80.4 126.0-101.2 3.9 18.8 25.4 29.7 22 320 A S < + 0 0 18 -3,-2.4 370,-0.2 1,-0.1 419,-0.1 -0.326 29.0 166.6 -61.8 146.8 15.6 23.3 30.7 23 321 A T + 0 0 56 368,-2.8 -1,-0.1 417,-0.1 369,-0.1 0.616 42.6 65.2-130.3 -69.4 12.6 24.7 28.9 24 322 A L S S- 0 0 37 367,-0.3 367,-0.4 1,-0.1 2,-0.2 0.080 90.4 -88.5 -51.4 171.5 9.3 22.6 28.9 25 323 A E - 0 0 125 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.576 20.7-150.9 -83.6 151.3 7.5 21.9 32.2 26 324 A T - 0 0 16 413,-2.0 -1,-0.1 2,-0.3 414,-0.1 0.719 36.4-121.4 -84.7 -24.7 8.2 18.9 34.5 27 325 A G S S+ 0 0 28 1,-0.4 412,-0.1 412,-0.2 2,-0.1 0.003 78.5 111.0 96.2 -26.3 4.7 18.7 36.0 28 326 A C - 0 0 3 410,-0.4 -1,-0.4 411,-0.1 2,-0.3 -0.408 46.0-169.6 -80.3 158.1 6.1 19.2 39.5 29 327 A T - 0 0 54 3,-2.7 408,-0.3 -3,-0.1 3,-0.2 -0.856 43.8 -97.3-128.2 174.6 5.7 22.1 41.8 30 328 A E S S+ 0 0 74 -2,-0.3 405,-1.5 1,-0.2 406,-0.3 0.705 127.5 44.4 -58.1 -22.8 7.4 23.2 45.1 31 329 A H S S+ 0 0 96 1,-0.2 771,-0.4 403,-0.2 2,-0.3 0.695 121.0 27.9 -96.9 -25.6 4.3 21.6 46.8 32 330 A I - 0 0 10 -3,-0.2 -3,-2.7 769,-0.1 2,-0.6 -0.968 61.2-146.4-149.9 128.7 4.0 18.4 44.8 33 331 A C B -C 800 0C 9 767,-3.1 767,-1.6 -2,-0.3 3,-0.3 -0.818 10.2-177.3 -95.3 123.0 6.3 16.0 42.9 34 332 A M > + 0 0 25 -2,-0.6 3,-2.7 1,-0.2 -1,-0.1 0.073 41.0 129.4-105.5 24.6 4.8 14.3 39.9 35 333 A G T 3 S+ 0 0 19 1,-0.3 334,-0.2 765,-0.1 -1,-0.2 0.669 74.7 44.8 -54.9 -22.9 7.9 12.3 39.3 36 334 A S T 3 S+ 0 0 9 762,-0.5 2,-0.5 -3,-0.3 -1,-0.3 0.305 84.6 108.0-107.9 9.1 6.0 9.0 39.1 37 335 A I < - 0 0 10 -3,-2.7 -3,-0.1 760,-0.2 377,-0.0 -0.757 61.9-149.6 -81.0 126.3 3.2 10.3 36.8 38 336 A M S S+ 0 0 34 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.891 96.3 21.4 -67.2 -37.8 3.7 8.8 33.4 39 337 A L 0 0 102 -3,-0.1 -1,-0.3 -12,-0.0 -12,-0.1 -0.792 360.0 360.0-124.1 83.6 2.1 11.8 31.6 40 338 A P 0 0 84 0, 0.0 -13,-0.1 0, 0.0 -12,-0.1 -0.022 360.0 360.0 -65.7 360.0 2.5 14.6 34.4 41 ! 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 42 350 A T > 0 0 113 0, 0.0 4,-2.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 165.8 1.8 30.7 15.7 43 351 A K H > + 0 0 90 1,-0.2 4,-1.7 2,-0.2 38,-0.1 0.862 360.0 52.4 -51.5 -43.3 4.4 32.9 13.9 44 352 A D H 4 S+ 0 0 134 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.814 113.7 43.0 -63.6 -36.6 5.0 34.7 17.3 45 353 A Q H > S+ 0 0 124 -3,-0.4 4,-1.0 2,-0.1 -2,-0.2 0.819 110.4 57.1 -78.6 -33.6 5.6 31.4 19.1 46 354 A L H X S+ 0 0 19 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.901 94.4 59.1 -75.3 -41.8 7.8 29.9 16.4 47 355 A F H X S+ 0 0 46 -4,-1.7 4,-3.1 1,-0.2 5,-0.2 0.903 103.8 51.3 -60.1 -41.1 10.6 32.3 15.9 48 356 A P H > S+ 0 0 72 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.931 112.6 47.9 -59.2 -43.9 11.9 32.1 19.5 49 357 A L H X S+ 0 0 56 -4,-1.0 4,-2.5 2,-0.2 219,-0.2 0.916 112.2 48.8 -58.4 -46.6 11.9 28.3 19.2 50 358 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.945 113.8 46.9 -56.1 -51.4 13.8 28.5 15.9 51 359 A K H X S+ 0 0 88 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.915 110.3 51.8 -58.2 -50.2 16.3 31.0 17.3 52 360 A E H X S+ 0 0 58 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.945 115.4 42.8 -53.1 -49.3 16.9 28.9 20.4 53 361 A F H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.938 113.9 48.7 -64.7 -47.1 17.5 25.8 18.3 54 362 A L H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.863 108.9 55.3 -65.9 -34.7 19.7 27.6 15.6 55 363 A D H X S+ 0 0 31 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.923 110.3 44.6 -59.3 -47.0 21.8 29.1 18.4 56 364 A Q H X S+ 0 0 45 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.922 114.3 49.9 -69.0 -40.8 22.5 25.7 19.9 57 365 A Y H X S+ 0 0 23 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.949 114.0 44.2 -56.9 -50.4 23.2 24.2 16.5 58 366 A Y H <>S+ 0 0 27 -4,-3.0 5,-2.8 1,-0.2 6,-0.3 0.874 112.8 51.8 -69.0 -34.1 25.7 27.0 15.6 59 367 A S H ><5S+ 0 0 67 -4,-2.4 3,-1.7 4,-0.2 -1,-0.2 0.910 105.1 57.7 -60.1 -44.8 27.3 26.9 19.0 60 368 A S H 3<5S+ 0 0 55 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.732 107.8 45.0 -61.6 -28.0 27.8 23.1 18.5 61 369 A I T 3<5S- 0 0 76 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.124 117.8-110.9-102.8 20.7 29.8 23.5 15.3 62 370 A K T < 5S+ 0 0 195 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.872 89.8 111.0 57.4 43.3 31.9 26.3 16.8 63 371 A R > < + 0 0 135 -5,-2.8 3,-1.7 -6,-0.1 6,-0.4 0.026 37.7 155.7-132.5 26.1 30.3 29.0 14.6 64 372 A F T 3 S+ 0 0 128 -6,-0.3 3,-0.1 1,-0.3 -9,-0.1 -0.310 72.9 4.5 -61.8 133.6 28.3 31.0 17.1 65 373 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.514 97.1 141.6 70.5 4.7 27.7 34.6 16.1 66 374 A S <> - 0 0 31 -3,-1.7 4,-2.8 1,-0.1 5,-0.3 -0.338 69.2-109.3 -72.7 157.2 29.3 34.0 12.7 67 375 A K H > S+ 0 0 151 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.942 123.1 54.5 -53.5 -46.5 27.9 35.6 9.6 68 376 A A H > S+ 0 0 48 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.877 109.8 47.7 -54.4 -42.0 26.8 32.1 8.5 69 377 A H H >> S+ 0 0 2 -6,-0.4 4,-2.1 2,-0.2 3,-0.6 0.984 114.9 44.9 -55.8 -58.7 24.9 31.8 11.9 70 378 A M H 3X S+ 0 0 81 -4,-2.8 4,-2.3 1,-0.3 -2,-0.2 0.830 110.8 54.3 -57.2 -38.6 23.3 35.3 11.5 71 379 A D H 3X S+ 0 0 74 -4,-3.2 4,-2.0 -5,-0.3 -1,-0.3 0.811 108.4 48.4 -68.6 -32.8 22.4 34.7 7.9 72 380 A R H - 0 0 100 -2,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.475 31.9-110.1 -66.3 151.4 18.5 21.9 6.5 90 398 A D H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.863 121.6 54.4 -49.2 -42.7 19.5 18.3 6.4 91 399 A T H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 109.2 48.5 -63.1 -38.2 22.4 19.0 8.8 92 400 A E H > S+ 0 0 1 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.828 109.7 51.9 -67.9 -38.0 19.9 20.6 11.3 93 401 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.903 111.2 46.0 -65.4 -45.5 17.6 17.6 11.0 94 402 A I H X S+ 0 0 70 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.918 116.1 46.2 -68.9 -40.5 20.3 15.1 11.8 95 403 A Y H X S+ 0 0 32 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.936 113.2 49.6 -62.1 -48.5 21.5 17.3 14.7 96 404 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.881 112.3 46.8 -60.0 -43.9 18.0 17.8 16.0 97 405 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.934 112.0 49.1 -64.9 -47.8 17.2 14.1 15.9 98 406 A K H X S+ 0 0 51 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.870 114.0 48.3 -59.4 -34.2 20.4 12.9 17.6 99 407 A H H X S+ 0 0 13 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.859 102.4 59.2 -81.6 -30.3 19.8 15.5 20.2 100 408 A A H < S+ 0 0 0 -4,-2.2 296,-0.4 2,-0.2 4,-0.3 0.903 111.9 43.2 -59.7 -37.6 16.2 14.6 20.8 101 409 A W H >< S+ 0 0 34 -4,-1.7 3,-1.9 2,-0.2 -2,-0.2 0.953 111.4 54.0 -70.7 -47.2 17.6 11.1 21.7 102 410 A R H 3< S+ 0 0 35 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.844 111.7 46.2 -49.9 -37.5 20.4 12.7 23.7 103 411 A N T 3< S+ 0 0 10 -4,-2.5 2,-1.1 291,-0.2 289,-0.4 0.443 78.1 117.5 -89.2 -2.7 17.8 14.6 25.7 104 412 A A X - 0 0 27 -3,-1.9 3,-2.1 -4,-0.3 6,-0.1 -0.535 45.6-169.4 -72.4 95.3 15.5 11.6 26.3 105 413 A S T 3 S+ 0 0 20 -2,-1.1 262,-3.1 1,-0.3 -1,-0.2 0.653 80.9 56.6 -68.7 -17.2 15.7 11.5 30.1 106 414 A R T 3 S+ 0 0 54 260,-0.2 2,-0.7 264,-0.1 -1,-0.3 0.390 86.3 99.7 -88.6 -0.9 13.9 8.1 30.3 107 415 A C X - 0 0 38 -3,-2.1 3,-0.8 -6,-0.2 264,-0.1 -0.802 45.1-176.5-100.6 119.2 16.4 6.3 28.0 108 416 A V T 3 S+ 0 0 23 -2,-0.7 3,-0.4 1,-0.2 -1,-0.1 0.647 81.3 65.4 -76.8 -16.8 19.1 4.1 29.5 109 417 A G T > + 0 0 28 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.174 62.3 115.7 -94.6 17.2 20.6 3.5 26.1 110 418 A R G X + 0 0 0 -3,-0.8 3,-2.5 1,-0.3 4,-0.2 0.580 49.6 87.2 -72.7 -4.2 21.7 7.0 25.3 111 419 A I G 3 S+ 0 0 46 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.815 91.6 52.1 -60.1 -24.6 25.4 6.2 25.3 112 420 A Q G X S+ 0 0 51 -3,-1.6 3,-1.9 1,-0.2 -1,-0.3 0.308 76.0 115.6 -86.8 4.0 24.8 5.4 21.6 113 421 A W G X S+ 0 0 36 -3,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.774 70.8 51.2 -59.6 -35.7 23.1 8.7 20.8 114 422 A S G 3 S+ 0 0 55 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.678 100.1 65.0 -72.7 -16.7 25.6 10.1 18.3 115 423 A K G < S+ 0 0 126 -3,-1.9 -1,-0.2 -17,-0.1 -2,-0.2 0.417 71.5 133.7 -92.4 8.8 25.6 7.0 16.2 116 424 A L < - 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