==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 14-APR-11 3RIX . COMPND 2 MOLECULE: LUCIFERIN 4-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHOTINUS PYRALIS; . AUTHOR S.LOVELL,K.P.BATTAILE,P.C.LOPEZ,D.S.AULD,P.J.SCHULTZ,R.MACAR . 428 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 20 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 0 0 0 1 1 1 4 2 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 5 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 . 3 4 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 1 2 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 3 A D > 0 0 146 0, 0.0 3,-1.4 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 99.1 -56.2 0.4 -16.5 2 4 A A G > + 0 0 87 1,-0.3 3,-1.6 2,-0.2 0, 0.0 0.725 360.0 71.9 -67.1 -23.3 -54.1 -1.8 -14.3 3 5 A K G 3 S+ 0 0 84 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.707 96.4 51.5 -69.6 -18.4 -52.6 -3.5 -17.3 4 6 A N G < S+ 0 0 29 -3,-1.4 2,-0.6 2,-0.1 363,-0.4 0.233 89.6 87.9-103.1 9.5 -50.6 -0.4 -18.0 5 7 A I S < S- 0 0 31 -3,-1.6 2,-0.4 361,-0.1 361,-0.2 -0.963 75.3-144.0-101.4 117.1 -49.2 -0.1 -14.5 6 8 A K E -A 365 0A 11 359,-2.4 359,-2.2 -2,-0.6 2,-0.4 -0.695 18.8-164.3 -84.0 132.5 -46.0 -2.2 -14.4 7 9 A K E -A 364 0A 75 -2,-0.4 357,-0.2 357,-0.2 352,-0.1 -0.941 18.8-120.2-119.6 140.7 -45.6 -4.0 -11.1 8 10 A G - 0 0 17 355,-2.5 354,-0.3 352,-0.5 352,-0.2 -0.407 35.5-114.1 -69.1 154.6 -42.5 -5.6 -9.7 9 11 A P - 0 0 69 0, 0.0 353,-0.5 0, 0.0 354,-0.2 -0.173 45.4 -72.2 -77.1 178.7 -42.8 -9.3 -8.9 10 12 A A - 0 0 85 351,-0.1 2,-0.0 1,-0.1 0, 0.0 -0.491 59.0-100.5 -68.8 143.4 -42.7 -10.7 -5.4 11 13 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.364 26.5-122.4 -58.8 146.1 -39.2 -10.7 -3.8 12 14 A F S S+ 0 0 132 1,-0.1 -2,-0.1 202,-0.1 203,-0.0 0.902 104.3 34.1 -57.3 -42.0 -37.5 -14.1 -4.0 13 15 A Y S S- 0 0 121 201,-0.2 -1,-0.1 1,-0.0 3,-0.1 -0.947 103.8-103.0-114.7 134.1 -37.2 -13.9 -0.3 14 16 A P - 0 0 114 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.132 45.8 -92.2 -55.7 152.0 -39.9 -12.3 1.9 15 17 A L - 0 0 50 1,-0.1 196,-0.1 -4,-0.1 2,-0.1 -0.524 46.8-128.7 -64.5 118.7 -39.1 -8.8 3.3 16 18 A E - 0 0 72 -2,-0.4 -1,-0.1 194,-0.2 7,-0.1 -0.340 15.2-121.3 -69.4 146.6 -37.6 -9.2 6.7 17 19 A D + 0 0 146 -2,-0.1 -1,-0.1 5,-0.0 2,-0.1 -0.300 66.1 70.0 -73.0 169.1 -38.9 -7.4 9.8 18 20 A G S S- 0 0 22 166,-0.1 165,-0.1 4,-0.1 192,-0.0 -0.154 83.5 -67.0 106.6 160.6 -36.6 -5.1 11.8 19 21 A T > - 0 0 2 163,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.239 50.1-104.5 -75.0 171.4 -34.9 -1.7 11.3 20 22 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.887 124.5 53.8 -64.0 -38.5 -32.1 -1.2 8.7 21 23 A G H > S+ 0 0 0 73,-0.5 4,-2.5 1,-0.2 5,-0.2 0.910 107.1 49.7 -60.6 -45.3 -29.7 -1.2 11.7 22 24 A E H > S+ 0 0 51 2,-0.2 4,-2.4 160,-0.2 -1,-0.2 0.886 111.6 48.2 -62.6 -38.8 -31.0 -4.5 13.0 23 25 A Q H X S+ 0 0 10 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.929 114.6 44.7 -70.3 -42.5 -30.8 -6.2 9.6 24 26 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.898 113.1 51.7 -65.5 -42.6 -27.2 -5.0 9.0 25 27 A H H X S+ 0 0 16 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.952 110.4 48.5 -60.4 -46.9 -26.2 -5.9 12.5 26 28 A K H X S+ 0 0 125 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.923 115.5 43.0 -60.7 -44.7 -27.5 -9.4 12.2 27 29 A A H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 3,-0.2 0.955 115.1 48.6 -68.2 -47.3 -25.8 -10.0 8.8 28 30 A M H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.843 106.6 56.4 -65.2 -31.6 -22.5 -8.5 9.8 29 31 A K H X S+ 0 0 63 -4,-2.4 4,-0.9 -5,-0.3 -1,-0.2 0.907 106.2 52.2 -66.2 -37.1 -22.4 -10.4 13.1 30 32 A R H >< S+ 0 0 116 -4,-1.4 3,-0.7 -3,-0.2 -2,-0.2 0.940 113.2 42.0 -63.1 -46.8 -22.6 -13.6 11.1 31 33 A Y H >< S+ 0 0 30 -4,-1.9 3,-1.7 1,-0.2 6,-0.3 0.856 106.6 64.1 -70.7 -31.3 -19.7 -12.7 8.8 32 34 A A H 3< S+ 0 0 5 -4,-2.4 -1,-0.2 19,-0.3 -2,-0.2 0.768 92.4 64.3 -61.0 -25.5 -17.8 -11.4 11.8 33 35 A L T << S+ 0 0 119 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.539 89.6 74.0 -84.3 -1.4 -17.7 -14.9 13.2 34 36 A V S X S- 0 0 82 -3,-1.7 3,-1.7 -4,-0.2 18,-0.2 -0.906 87.0-133.1-109.9 103.0 -15.6 -16.2 10.3 35 37 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.205 85.7 21.6 -55.5 137.7 -12.0 -14.9 10.6 36 38 A G T 3 S+ 0 0 52 1,-0.3 2,-0.4 -4,-0.1 -4,-0.1 0.346 77.3 143.2 90.1 -7.1 -10.5 -13.4 7.5 37 39 A T < - 0 0 38 -3,-1.7 14,-2.6 -6,-0.3 2,-0.5 -0.540 48.1-135.4 -68.7 117.7 -13.8 -12.5 5.7 38 40 A I E +H 50 0B 44 -2,-0.4 12,-0.3 12,-0.3 3,-0.1 -0.687 30.9 174.7 -88.1 126.8 -13.0 -9.2 4.0 39 41 A A E + 0 0 0 10,-2.3 217,-2.7 -2,-0.5 2,-0.3 0.899 69.9 7.6 -88.0 -53.4 -15.5 -6.3 4.2 40 42 A F E -Hi 49 256B 0 9,-1.7 9,-2.6 215,-0.2 2,-0.4 -0.979 55.5-167.0-133.6 151.0 -13.5 -3.5 2.5 41 43 A T E -Hi 48 257B 0 215,-2.2 217,-3.1 -2,-0.3 2,-0.8 -1.000 17.6-142.5-134.8 127.7 -10.2 -3.2 0.6 42 44 A D E > - i 0 258B 12 5,-2.6 4,-1.9 -2,-0.4 5,-0.4 -0.841 10.9-161.8 -92.4 112.1 -8.6 0.2 -0.1 43 45 A A T 4 S+ 0 0 5 215,-2.5 -1,-0.2 -2,-0.8 216,-0.1 0.750 85.9 54.5 -67.9 -22.8 -7.1 -0.3 -3.6 44 46 A H T 4 S+ 0 0 37 214,-0.4 -1,-0.2 1,-0.1 215,-0.1 0.910 123.4 22.0 -77.3 -44.9 -4.8 2.7 -3.2 45 47 A I T 4 S- 0 0 97 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.462 98.7-132.5-104.6 -4.2 -3.1 1.7 0.1 46 48 A E < + 0 0 143 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.526 53.9 143.9 70.7 11.7 -3.8 -2.0 -0.3 47 49 A V - 0 0 68 -5,-0.4 -5,-2.6 -6,-0.0 2,-0.3 -0.621 34.8-153.4 -87.6 141.5 -5.1 -2.5 3.3 48 50 A N E -H 41 0B 67 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.845 4.2-161.5-107.5 145.7 -8.0 -4.9 4.0 49 51 A I E -H 40 0B 12 -9,-2.6 -10,-2.3 -2,-0.3 -9,-1.7 -0.999 17.0-138.7-127.2 134.7 -10.5 -4.8 6.9 50 52 A T E > -H 38 0B 25 -2,-0.4 4,-2.3 -12,-0.3 -12,-0.3 -0.381 23.6-110.3 -88.5 164.7 -12.5 -7.8 7.9 51 53 A Y H > S+ 0 0 0 -14,-2.6 4,-3.3 -17,-0.2 5,-0.3 0.875 118.6 57.3 -61.0 -34.0 -16.1 -8.1 8.9 52 54 A A H > S+ 0 0 21 -15,-0.3 4,-2.5 -21,-0.3 5,-0.2 0.954 110.1 43.3 -63.7 -45.0 -15.0 -8.9 12.5 53 55 A E H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 117.3 47.0 -61.8 -42.5 -13.1 -5.7 12.7 54 56 A Y H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.925 113.1 47.6 -68.5 -46.1 -15.9 -3.7 11.0 55 57 A F H X S+ 0 0 1 -4,-3.3 4,-2.5 2,-0.2 5,-0.3 0.943 113.0 48.3 -59.9 -49.1 -18.6 -5.2 13.2 56 58 A E H X S+ 0 0 66 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.932 114.1 44.7 -62.9 -44.6 -16.7 -4.7 16.4 57 59 A M H X S+ 0 0 8 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.895 113.2 50.8 -67.5 -39.9 -15.9 -1.0 15.7 58 60 A S H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.924 112.6 46.4 -64.1 -41.6 -19.4 -0.2 14.4 59 61 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.904 112.1 50.9 -66.2 -41.2 -20.9 -1.7 17.6 60 62 A R H X S+ 0 0 68 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.908 111.4 48.2 -63.6 -39.2 -18.4 0.1 19.8 61 63 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.912 109.8 52.7 -65.1 -41.8 -19.3 3.4 18.0 62 64 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.948 113.6 42.8 -55.8 -52.3 -23.0 2.7 18.4 63 65 A E H X S+ 0 0 13 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.929 113.9 51.2 -65.3 -41.3 -22.6 2.2 22.2 64 66 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.919 110.7 48.2 -61.8 -42.4 -20.2 5.1 22.6 65 67 A M H X>S+ 0 0 1 -4,-2.8 5,-2.6 2,-0.2 4,-1.4 0.913 111.2 51.5 -64.3 -41.1 -22.7 7.5 20.8 66 68 A K H <5S+ 0 0 70 -4,-2.3 3,-0.2 -5,-0.2 -2,-0.2 0.927 113.1 44.6 -59.5 -43.7 -25.5 6.2 22.9 67 69 A R H <5S+ 0 0 137 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.832 106.9 58.6 -73.9 -31.6 -23.5 6.8 26.1 68 70 A Y H <5S- 0 0 63 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.815 128.3 -99.4 -63.4 -32.2 -22.4 10.3 24.9 69 71 A G T <5S+ 0 0 40 -4,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.529 71.9 142.9 125.8 12.2 -26.1 11.0 24.7 70 72 A L < + 0 0 9 -5,-2.6 -1,-0.3 2,-0.0 2,-0.2 -0.637 15.6 151.7 -84.2 143.6 -27.3 10.6 21.1 71 73 A N > - 0 0 69 -2,-0.3 3,-2.4 26,-0.1 26,-0.1 -0.731 63.6 -59.3-149.8-168.5 -30.7 9.2 20.3 72 74 A T T 3 S+ 0 0 76 1,-0.3 118,-0.2 -2,-0.2 27,-0.2 0.639 124.9 66.6 -64.6 -10.8 -33.4 9.4 17.6 73 75 A N T 3 S+ 0 0 117 25,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.579 96.8 68.8 -80.5 -8.4 -33.7 13.1 18.2 74 76 A H < - 0 0 51 -3,-2.4 25,-1.4 23,-0.1 2,-0.3 -0.683 61.9-155.6-114.0 163.9 -30.2 13.8 16.9 75 77 A R E -n 99 0C 70 45,-0.3 47,-2.4 -2,-0.2 48,-1.0 -0.910 4.4-155.7-130.8 155.4 -28.4 13.6 13.6 76 78 A I E -no 100 123C 0 23,-2.3 25,-2.5 -2,-0.3 2,-0.4 -0.921 10.5-139.6-124.2 157.4 -24.7 13.1 12.6 77 79 A V E -no 101 124C 0 46,-1.7 48,-3.0 -2,-0.3 2,-0.5 -0.913 6.4-160.2-109.7 142.0 -22.9 14.1 9.5 78 80 A V E +no 102 125C 0 23,-1.5 25,-2.1 -2,-0.4 2,-0.6 -0.983 13.7 178.8-118.8 116.5 -20.3 11.9 7.9 79 81 A C E + o 0 126C 1 46,-2.7 48,-1.8 -2,-0.5 2,-0.3 -0.904 27.6 117.2-122.7 99.1 -18.0 14.0 5.6 80 82 A S - 0 0 0 -2,-0.6 25,-0.3 23,-0.5 158,-0.2 -0.980 61.3-108.5-161.8 147.5 -15.3 11.9 3.9 81 83 A E S S- 0 0 30 -2,-0.3 5,-0.1 1,-0.2 179,-0.1 -0.274 71.1 -67.7 -60.8 162.5 -13.8 10.7 0.7 82 84 A N S S+ 0 0 8 178,-0.2 2,-0.3 177,-0.1 -1,-0.2 -0.340 79.0 149.1 -56.6 136.5 -14.3 6.9 0.2 83 85 A S > - 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