==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUL-09 3IES . COMPND 2 MOLECULE: LUCIFERIN 4-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHOTINUS PYRALIS; . AUTHOR S.LOVELL,K.P.BATTAILE,D.S.AULD,N.THORNE,W.A.LEA,D.J.MALONEY, . 431 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 12.3 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 . 26 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 25.5 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 2 1 3 1 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 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 . 4 3 2 1 3 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 0 0 0 0 0 2 1 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 0 143 0, 0.0 3,-2.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 99.5 -55.9 0.6 -16.5 2 4 A A G > + 0 0 83 1,-0.3 3,-2.4 2,-0.2 0, 0.0 0.801 360.0 67.9 -51.8 -38.0 -53.9 -1.9 -14.5 3 5 A K G 3 S+ 0 0 88 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.725 101.3 50.0 -58.0 -21.5 -52.4 -3.5 -17.6 4 6 A N G < S+ 0 0 30 -3,-2.5 2,-0.6 2,-0.1 363,-0.4 0.273 90.9 85.7-102.7 6.3 -50.5 -0.2 -18.1 5 7 A I S < S- 0 0 33 -3,-2.4 2,-0.4 361,-0.1 361,-0.2 -0.962 75.1-143.4-106.0 113.7 -49.1 -0.0 -14.6 6 8 A K E -A 365 0A 13 359,-2.5 359,-2.7 -2,-0.6 2,-0.4 -0.685 19.7-168.1 -83.0 132.3 -45.9 -2.0 -14.5 7 9 A K E -A 364 0A 72 -2,-0.4 357,-0.2 357,-0.2 352,-0.1 -0.916 20.0-119.9-121.6 141.8 -45.4 -3.9 -11.3 8 10 A G - 0 0 17 355,-2.2 354,-0.3 352,-0.5 352,-0.2 -0.408 36.2-110.9 -74.0 156.9 -42.3 -5.6 -10.0 9 11 A P - 0 0 72 0, 0.0 353,-0.4 0, 0.0 354,-0.2 -0.198 47.0 -66.5 -78.6-177.1 -42.6 -9.3 -9.2 10 12 A A - 0 0 85 351,-0.1 2,-0.0 1,-0.1 3,-0.0 -0.382 60.6-101.3 -63.8 138.9 -42.5 -11.0 -5.8 11 13 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 204,-0.1 -0.384 21.6-128.9 -58.5 139.6 -39.2 -10.7 -4.0 12 14 A F S S+ 0 0 120 1,-0.2 -2,-0.1 202,-0.1 203,-0.1 0.923 102.9 33.3 -54.6 -42.6 -37.2 -13.9 -4.3 13 15 A Y S S- 0 0 118 201,-0.2 -1,-0.2 1,-0.0 3,-0.1 -0.946 99.7-109.4-114.8 137.3 -36.9 -13.6 -0.5 14 16 A P - 0 0 107 0, 0.0 2,-0.5 0, 0.0 -2,-0.0 -0.176 44.7 -87.9 -59.3 153.5 -39.6 -12.1 1.6 15 17 A L - 0 0 53 1,-0.1 196,-0.1 -4,-0.1 2,-0.1 -0.531 47.7-128.3 -63.5 117.3 -39.1 -8.7 3.3 16 18 A E - 0 0 70 -2,-0.5 2,-0.1 194,-0.2 -1,-0.1 -0.335 17.2-122.2 -64.8 144.3 -37.3 -9.3 6.6 17 19 A D + 0 0 146 -2,-0.1 -1,-0.1 5,-0.0 2,-0.1 -0.358 67.8 60.3 -75.0 167.1 -38.7 -7.7 9.8 18 20 A G S S- 0 0 23 -2,-0.1 165,-0.1 166,-0.1 192,-0.1 -0.160 87.5 -60.1 101.4 166.6 -36.6 -5.3 11.9 19 21 A T > - 0 0 2 163,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.296 49.7-106.4 -75.8 169.8 -34.9 -2.0 11.4 20 22 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.884 123.8 54.4 -61.2 -37.7 -32.1 -1.5 8.8 21 23 A G H > S+ 0 0 0 73,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.917 107.7 47.3 -61.0 -46.0 -29.8 -1.5 11.8 22 24 A E H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 112.3 49.8 -66.4 -37.7 -30.9 -4.8 13.1 23 25 A Q H X S+ 0 0 6 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.919 114.7 43.0 -69.4 -43.1 -30.7 -6.4 9.7 24 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.879 113.8 53.0 -65.5 -40.8 -27.2 -5.2 9.0 25 27 A H H X S+ 0 0 15 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.933 110.1 47.4 -60.2 -47.3 -26.2 -6.1 12.6 26 28 A K H X S+ 0 0 129 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.932 115.2 43.9 -63.9 -45.7 -27.4 -9.6 12.2 27 29 A A H X S+ 0 0 3 -4,-2.0 4,-1.8 1,-0.2 3,-0.3 0.954 114.7 48.2 -64.0 -50.0 -25.8 -10.2 8.8 28 30 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.825 105.3 58.9 -65.4 -29.4 -22.5 -8.7 9.8 29 31 A K H X S+ 0 0 59 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.906 105.9 50.3 -63.5 -39.1 -22.3 -10.6 13.1 30 32 A R H >< S+ 0 0 117 -4,-1.3 3,-0.7 -3,-0.3 -2,-0.2 0.935 112.4 44.9 -64.6 -45.8 -22.5 -13.8 11.1 31 33 A Y H >< S+ 0 0 31 -4,-1.8 3,-1.7 1,-0.2 21,-0.3 0.866 106.4 61.8 -67.3 -35.1 -19.6 -12.8 8.7 32 34 A A H 3< S+ 0 0 6 -4,-2.4 -1,-0.2 19,-0.3 -2,-0.2 0.737 93.7 63.6 -59.8 -27.0 -17.6 -11.5 11.7 33 35 A L T << S+ 0 0 116 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.468 91.1 73.4 -83.7 0.3 -17.5 -15.0 13.1 34 36 A V S X S- 0 0 84 -3,-1.7 3,-1.5 -4,-0.1 17,-0.2 -0.916 88.1-134.9-115.8 103.3 -15.6 -16.2 10.1 35 37 A P T 3 S+ 0 0 116 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.211 83.5 23.8 -62.3 139.8 -12.0 -14.9 10.4 36 38 A G T 3 S+ 0 0 54 1,-0.3 2,-0.5 -4,-0.1 -4,-0.1 0.370 78.0 144.6 87.4 -3.5 -10.4 -13.3 7.3 37 39 A T < - 0 0 36 -3,-1.5 14,-2.7 -6,-0.3 2,-0.5 -0.558 46.6-136.1 -70.9 120.1 -13.7 -12.5 5.7 38 40 A I E +H 50 0B 41 -2,-0.5 12,-0.3 12,-0.3 3,-0.1 -0.650 31.7 172.0 -89.1 123.1 -13.0 -9.1 3.9 39 41 A A E S+ 0 0 0 10,-2.3 217,-2.8 -2,-0.5 2,-0.3 0.899 70.5 8.5 -89.1 -52.2 -15.5 -6.3 4.2 40 42 A F E -Hi 49 256B 0 9,-1.7 9,-2.7 215,-0.2 2,-0.4 -0.977 55.4-169.7-134.6 147.9 -13.5 -3.4 2.5 41 43 A T E -Hi 48 257B 0 215,-2.1 217,-3.2 -2,-0.3 2,-0.7 -0.998 18.1-142.9-133.8 128.4 -10.2 -3.1 0.7 42 44 A D E > - i 0 258B 10 5,-2.4 4,-2.0 -2,-0.4 5,-0.2 -0.857 9.3-160.5 -92.4 112.0 -8.7 0.3 -0.2 43 45 A A T 4 S+ 0 0 5 215,-2.4 -1,-0.1 -2,-0.7 216,-0.1 0.724 86.7 53.0 -67.8 -21.9 -7.1 -0.1 -3.6 44 46 A H T 4 S+ 0 0 39 214,-0.3 -1,-0.2 1,-0.1 215,-0.1 0.900 123.4 22.9 -79.5 -44.7 -4.8 2.9 -3.1 45 47 A I T 4 S- 0 0 98 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.465 98.8-133.2-104.2 -6.6 -3.2 1.9 0.2 46 48 A E < + 0 0 141 -4,-2.0 2,-0.2 1,-0.2 -3,-0.1 0.400 52.7 145.0 77.5 -0.6 -3.9 -1.8 -0.2 47 49 A V - 0 0 71 -5,-0.2 -5,-2.4 -6,-0.1 2,-0.3 -0.468 34.3-153.1 -78.4 139.2 -5.2 -2.4 3.3 48 50 A N E -H 41 0B 65 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.838 4.0-161.4-105.4 146.1 -8.0 -4.9 4.0 49 51 A I E -H 40 0B 11 -9,-2.7 -10,-2.3 -2,-0.3 -9,-1.7 -0.999 15.5-139.8-129.8 131.1 -10.5 -4.8 6.8 50 52 A T E > -H 38 0B 26 -2,-0.4 4,-2.4 -12,-0.3 -12,-0.3 -0.344 24.2-110.0 -84.2 166.0 -12.4 -7.8 7.9 51 53 A Y H > S+ 0 0 1 -14,-2.7 4,-3.2 -17,-0.2 -19,-0.3 0.878 118.5 56.7 -61.4 -36.5 -16.1 -8.2 8.9 52 54 A A H > S+ 0 0 22 -15,-0.3 4,-2.4 -21,-0.3 5,-0.2 0.940 109.8 43.3 -62.0 -48.3 -14.9 -9.0 12.5 53 55 A E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.920 117.6 47.2 -60.8 -41.1 -13.0 -5.7 12.7 54 56 A Y H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.934 114.4 45.5 -68.5 -48.8 -15.9 -3.8 11.0 55 57 A F H X S+ 0 0 1 -4,-3.2 4,-2.8 2,-0.2 5,-0.3 0.942 114.3 47.9 -57.3 -53.3 -18.6 -5.3 13.2 56 58 A E H X S+ 0 0 63 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.926 115.4 44.1 -61.1 -44.2 -16.7 -4.8 16.4 57 59 A M H X S+ 0 0 7 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.894 113.3 50.4 -69.5 -36.4 -15.9 -1.2 15.6 58 60 A S H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.926 113.3 46.3 -66.1 -41.8 -19.4 -0.4 14.4 59 61 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.933 112.1 50.7 -63.2 -46.6 -21.0 -1.9 17.6 60 62 A R H X S+ 0 0 69 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.873 111.7 48.4 -60.2 -37.4 -18.4 -0.1 19.8 61 63 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.853 109.6 52.7 -70.4 -36.1 -19.3 3.2 18.0 62 64 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.948 113.1 43.3 -60.9 -50.4 -23.0 2.5 18.5 63 65 A E H X S+ 0 0 15 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.910 114.0 50.9 -65.1 -42.4 -22.6 2.0 22.2 64 66 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.908 110.2 48.8 -62.0 -44.2 -20.3 5.0 22.6 65 67 A M H X>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 4,-1.0 0.917 112.1 50.1 -60.3 -42.3 -22.7 7.3 20.8 66 68 A K H ><5S+ 0 0 86 -4,-2.2 3,-0.9 3,-0.2 -2,-0.2 0.943 112.2 46.5 -58.5 -49.3 -25.5 5.9 23.0 67 69 A R H 3<5S+ 0 0 143 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.848 105.9 58.9 -68.2 -31.9 -23.4 6.6 26.1 68 70 A Y H 3<5S- 0 0 62 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.776 128.3 -98.6 -64.8 -26.3 -22.4 10.0 24.9 69 71 A G T <<5S+ 0 0 41 -4,-1.0 2,-0.3 -3,-0.9 -3,-0.2 0.483 72.7 145.0 120.6 8.5 -26.2 10.8 24.9 70 72 A L < + 0 0 7 -5,-2.7 -1,-0.3 -6,-0.2 2,-0.2 -0.596 15.8 151.3 -79.9 137.8 -27.2 10.3 21.2 71 73 A N > - 0 0 71 -2,-0.3 3,-2.3 26,-0.1 26,-0.1 -0.756 63.7 -59.5-145.5-167.8 -30.7 8.9 20.5 72 74 A T T 3 S+ 0 0 78 1,-0.3 118,-0.2 -2,-0.2 27,-0.2 0.662 125.1 66.4 -61.5 -10.1 -33.5 9.0 17.8 73 75 A N T 3 S+ 0 0 117 25,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.472 95.3 72.0 -85.8 -0.0 -33.7 12.8 18.3 74 76 A H < - 0 0 46 -3,-2.3 25,-1.4 23,-0.1 2,-0.3 -0.754 60.6-155.5-116.4 160.2 -30.2 13.4 17.0 75 77 A R E -p 99 0C 71 45,-0.4 47,-2.6 -2,-0.3 48,-1.0 -0.923 5.1-156.5-124.5 153.8 -28.4 13.4 13.7 76 78 A I E -pq 100 123C 0 23,-2.4 25,-2.6 -2,-0.3 2,-0.4 -0.924 11.0-139.9-118.0 154.1 -24.8 12.9 12.8 77 79 A V E -pq 101 124C 0 46,-1.9 48,-3.1 -2,-0.3 2,-0.5 -0.893 7.2-160.2-105.2 145.1 -23.0 14.0 9.6 78 80 A V E +pq 102 125C 0 23,-1.3 25,-2.4 -2,-0.4 2,-0.5 -0.993 13.1 179.0-123.2 115.7 -20.4 11.8 7.9 79 81 A C E + q 0 126C 1 46,-2.7 48,-2.0 -2,-0.5 2,-0.3 -0.909 27.9 114.9-123.6 101.9 -18.1 13.9 5.7 80 82 A S - 0 0 1 -2,-0.5 25,-0.2 23,-0.4 158,-0.2 -0.965 61.4-108.9-166.3 141.5 -15.4 11.8 3.9 81 83 A E S S- 0 0 30 -2,-0.3 5,-0.1 1,-0.2 179,-0.1 -0.218 71.6 -65.9 -56.0 160.4 -14.1 10.6 0.6 82 84 A N S S+ 0 0 8 177,-0.1 2,-0.3 178,-0.1 -1,-0.2 -0.386 79.4 149.7 -52.7 135.6 -14.5 6.8 0.1 83 85 A S > - 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