==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 13-JUL-12 4G36 . COMPND 2 MOLECULE: LUCIFERIN 4-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHOTINUS PYRALIS; . AUTHOR J.A.SUNDLOV,B.R.BRANCHINI,A.M.GULICK . 1065 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 725 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 84 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.3 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 1 2 2 6 2 5 2 4 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 8 8 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 PARALLEL BRIDGES PER LADDER . 10 8 2 6 3 2 0 0 1 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 . 1 4 0 0 0 1 4 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 4 A A 0 0 106 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.1 -27.9 42.6 -24.1 2 5 A K + 0 0 80 1,-0.1 4,-0.1 3,-0.0 0, 0.0 -0.123 360.0 94.9 -96.1 23.5 -28.9 40.4 -26.9 3 6 A N + 0 0 55 2,-0.1 2,-0.6 373,-0.1 363,-0.4 0.161 66.3 86.0 -92.2 10.7 -26.5 38.3 -24.8 4 7 A I S S- 0 0 40 -3,-0.2 2,-0.7 361,-0.1 361,-0.2 -0.973 77.0-145.6-111.9 116.9 -29.7 37.1 -23.3 5 8 A K E -A 364 0A 18 359,-2.2 359,-2.9 -2,-0.6 2,-0.2 -0.768 21.0-165.2 -83.2 116.6 -31.3 34.2 -25.2 6 9 A K E -A 363 0A 67 -2,-0.7 357,-0.2 357,-0.2 352,-0.2 -0.616 17.9-115.1-101.3 160.6 -35.1 34.6 -24.9 7 10 A G - 0 0 21 355,-2.1 354,-0.3 -2,-0.2 352,-0.2 -0.688 31.3-113.9 -94.8 153.2 -37.7 31.9 -25.7 8 11 A P - 0 0 64 0, 0.0 353,-0.6 0, 0.0 354,-0.2 -0.046 44.3 -75.6 -76.7-178.7 -40.2 32.4 -28.6 9 12 A A - 0 0 76 351,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.505 61.0 -95.8 -74.5 150.7 -43.9 32.8 -28.2 10 13 A P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.471 17.8-150.3 -69.7 138.5 -45.7 29.5 -27.4 11 14 A F S S+ 0 0 52 1,-0.2 203,-0.0 -2,-0.1 -2,-0.0 0.492 97.2 42.9 -77.3 -9.0 -47.2 27.6 -30.3 12 15 A Y S S- 0 0 25 205,-0.1 -1,-0.2 738,-0.1 205,-0.1 -0.963 97.3-122.8-139.0 125.0 -49.7 26.5 -27.7 13 16 A P - 0 0 58 0, 0.0 203,-0.1 0, 0.0 -2,-0.1 -0.135 22.0-102.3 -74.9 155.6 -51.1 29.0 -25.2 14 17 A L - 0 0 68 -4,-0.1 2,-0.3 1,-0.1 196,-0.1 -0.334 44.0-138.5 -60.8 155.7 -51.0 29.0 -21.5 15 18 A E - 0 0 48 194,-0.3 7,-0.1 1,-0.1 198,-0.1 -0.861 6.3-115.4-125.7 155.6 -54.4 28.0 -20.0 16 19 A D S S+ 0 0 134 -2,-0.3 -1,-0.1 5,-0.1 6,-0.1 -0.041 70.3 47.0 -78.7-174.6 -56.6 29.2 -17.1 17 20 A G S S- 0 0 26 4,-0.1 -2,-0.1 5,-0.1 165,-0.1 0.171 95.2 -59.3 67.2 170.4 -57.6 27.3 -13.9 18 21 A T > - 0 0 0 163,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.282 55.2 -99.9 -73.3 169.3 -55.3 25.4 -11.6 19 22 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.845 126.1 49.1 -60.5 -37.3 -53.2 22.4 -12.8 20 23 A G H > S+ 0 0 0 73,-0.6 4,-3.2 2,-0.2 -1,-0.2 0.875 111.2 49.7 -69.1 -38.4 -55.7 20.0 -11.3 21 24 A E H > S+ 0 0 48 72,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.931 112.3 47.6 -64.3 -45.6 -58.6 21.9 -13.0 22 25 A Q H X S+ 0 0 3 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.841 116.9 44.3 -61.5 -35.0 -56.7 21.8 -16.3 23 26 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.874 108.3 54.7 -78.5 -42.7 -56.0 18.1 -15.8 24 27 A H H X S+ 0 0 15 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.935 111.4 48.8 -54.6 -46.1 -59.6 17.1 -14.6 25 28 A K H X S+ 0 0 125 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.964 111.9 45.9 -55.4 -59.9 -60.8 18.7 -17.9 26 29 A A H X S+ 0 0 3 -4,-1.8 4,-1.5 1,-0.2 3,-0.4 0.939 118.0 43.0 -51.4 -51.4 -58.3 16.9 -20.2 27 30 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.767 107.8 57.3 -74.5 -29.7 -58.9 13.6 -18.6 28 31 A K H X S+ 0 0 65 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.823 106.0 53.2 -64.7 -33.6 -62.7 13.8 -18.3 29 32 A R H < S+ 0 0 112 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.930 112.8 42.0 -67.2 -46.5 -62.8 14.4 -22.0 30 33 A Y H >< S+ 0 0 25 -4,-1.5 3,-1.1 1,-0.2 6,-0.4 0.790 107.4 61.6 -68.9 -34.6 -60.8 11.2 -22.7 31 34 A A H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 19,-0.3 -2,-0.2 0.920 102.4 52.2 -57.1 -41.1 -62.8 9.3 -20.1 32 35 A L T 3< S+ 0 0 118 -4,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.583 95.6 81.2 -74.0 -8.9 -65.8 10.0 -22.2 33 36 A V S X S- 0 0 62 -3,-1.1 3,-1.4 -4,-0.2 17,-0.2 -0.866 88.4-128.6-100.4 103.1 -63.9 8.5 -25.2 34 37 A P T 3 S+ 0 0 121 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.182 80.8 11.4 -58.0 128.0 -64.2 4.7 -24.9 35 38 A G T 3 S+ 0 0 61 1,-0.3 2,-0.4 -4,-0.1 -4,-0.1 0.409 78.2 139.7 94.6 -3.1 -61.0 2.7 -25.1 36 39 A T < - 0 0 37 -3,-1.4 14,-2.2 -6,-0.4 15,-0.5 -0.632 44.6-141.1 -76.5 131.4 -58.3 5.4 -24.8 37 40 A I E -H 49 0B 33 -2,-0.4 12,-0.2 12,-0.3 3,-0.1 -0.805 22.9-176.1-101.6 131.3 -55.6 4.0 -22.5 38 41 A A E S+ 0 0 0 10,-2.0 217,-3.3 -2,-0.4 2,-0.4 0.916 73.3 15.3 -83.2 -54.4 -53.8 6.2 -20.0 39 42 A F E -Hi 48 255B 0 9,-1.7 9,-2.3 215,-0.2 2,-0.4 -0.945 55.2-171.7-131.8 144.5 -51.3 3.6 -18.8 40 43 A T E -Hi 47 256B 0 215,-2.0 217,-2.5 -2,-0.4 2,-0.8 -0.999 16.3-147.2-131.1 130.8 -49.9 0.3 -19.9 41 44 A D E >>> -Hi 46 257B 20 5,-2.8 5,-1.4 -2,-0.4 4,-0.7 -0.896 8.7-168.8 -97.1 108.2 -47.6 -1.9 -17.8 42 45 A A T 345S+ 0 0 1 215,-1.7 -1,-0.2 -2,-0.8 216,-0.1 0.786 84.5 61.5 -67.0 -27.4 -45.3 -3.7 -20.2 43 46 A H T 345S+ 0 0 63 214,-0.4 -1,-0.2 1,-0.2 215,-0.1 0.798 122.3 18.8 -69.9 -33.5 -44.1 -6.0 -17.4 44 47 A I T <45S- 0 0 104 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.155 101.4-121.7-123.4 18.5 -47.6 -7.4 -16.8 45 48 A E T <5 + 0 0 125 -4,-0.7 2,-0.5 1,-0.2 -3,-0.2 0.854 60.8 150.7 44.8 45.9 -49.3 -6.5 -20.0 46 49 A V E < -H 41 0B 60 -5,-1.4 -5,-2.8 2,-0.0 2,-0.3 -0.936 30.7-161.0-116.2 129.8 -52.0 -4.5 -18.2 47 50 A N E -H 40 0B 70 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.768 5.5-168.3-102.2 149.1 -53.9 -1.5 -19.4 48 51 A I E -H 39 0B 19 -9,-2.3 -10,-2.0 -2,-0.3 -9,-1.7 -0.963 22.1-137.9-135.5 118.3 -55.9 1.1 -17.4 49 52 A T E > -H 37 0B 28 -2,-0.4 4,-3.3 -12,-0.2 -12,-0.3 -0.225 21.3-114.5 -79.3 165.5 -58.1 3.4 -19.4 50 53 A Y H > S+ 0 0 0 -14,-2.2 4,-1.8 2,-0.2 -19,-0.3 0.742 119.9 56.9 -62.5 -26.8 -58.6 7.2 -19.0 51 54 A A H > S+ 0 0 23 -15,-0.5 4,-2.2 -21,-0.2 -1,-0.2 0.955 113.0 37.9 -69.4 -49.7 -62.2 6.3 -18.0 52 55 A E H > S+ 0 0 88 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.927 118.7 49.7 -63.3 -46.6 -61.0 4.0 -15.2 53 56 A Y H X S+ 0 0 0 -4,-3.3 4,-1.7 2,-0.2 -1,-0.2 0.844 112.6 45.7 -65.5 -39.6 -58.1 6.4 -14.2 54 57 A F H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 5,-0.3 0.931 112.7 51.5 -65.8 -49.9 -60.3 9.5 -14.1 55 58 A E H X S+ 0 0 56 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.924 112.6 44.3 -57.2 -46.5 -63.0 7.7 -12.1 56 59 A M H X S+ 0 0 23 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.879 114.8 48.7 -68.1 -36.0 -60.5 6.4 -9.5 57 60 A S H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.896 115.2 43.0 -69.5 -43.9 -58.7 9.8 -9.2 58 61 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.917 115.0 51.5 -63.5 -47.6 -61.9 11.8 -8.8 59 62 A R H X S+ 0 0 68 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.907 114.6 42.9 -52.2 -47.5 -63.2 9.1 -6.5 60 63 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.765 111.2 55.2 -74.9 -30.1 -60.0 9.4 -4.4 61 64 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 3,-0.2 0.961 111.8 42.5 -63.0 -56.5 -59.9 13.3 -4.6 62 65 A E H X S+ 0 0 33 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.914 113.2 54.1 -57.1 -44.3 -63.4 13.5 -3.1 63 66 A A H X S+ 0 0 0 -4,-2.0 4,-0.7 -5,-0.3 -1,-0.2 0.827 111.2 44.7 -59.0 -35.7 -62.5 10.8 -0.6 64 67 A M H X>S+ 0 0 1 -4,-1.6 5,-2.4 -3,-0.2 4,-0.8 0.854 111.2 54.3 -74.7 -37.3 -59.4 12.8 0.5 65 68 A K H ><5S+ 0 0 46 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.917 109.1 47.1 -60.2 -47.4 -61.5 16.0 0.6 66 69 A R H 3<5S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.735 104.8 61.6 -68.9 -24.0 -64.1 14.3 3.0 67 70 A Y H 3<5S- 0 0 91 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.718 126.0-102.7 -72.7 -23.1 -61.2 13.0 5.1 68 71 A G T <<5 + 0 0 40 -3,-0.8 2,-0.3 -4,-0.8 -3,-0.2 0.629 68.1 152.5 109.8 19.7 -60.3 16.7 5.7 69 72 A L < + 0 0 10 -5,-2.4 -1,-0.3 2,-0.1 2,-0.2 -0.631 16.9 139.4 -79.2 137.0 -57.3 17.1 3.4 70 73 A N > - 0 0 62 -2,-0.3 3,-2.2 26,-0.1 28,-0.4 -0.816 64.8 -51.9-156.6-161.7 -56.8 20.7 2.1 71 74 A T T 3 S+ 0 0 83 1,-0.3 118,-0.2 -2,-0.2 27,-0.1 0.603 123.5 62.4 -67.7 -11.8 -54.3 23.4 1.3 72 75 A N T 3 S+ 0 0 124 25,-0.0 -1,-0.3 2,-0.0 2,-0.3 0.454 96.7 87.2 -85.8 -0.4 -52.6 23.1 4.7 73 76 A H < - 0 0 42 -3,-2.2 25,-1.8 23,-0.1 2,-0.3 -0.689 54.5-163.7-114.6 154.6 -51.7 19.6 3.9 74 77 A R E -p 98 0C 72 45,-0.3 47,-2.5 -2,-0.3 48,-1.0 -0.925 8.3-169.8-122.0 146.2 -48.9 17.6 2.3 75 78 A I E -pq 99 122C 0 23,-1.9 25,-3.4 -2,-0.3 2,-0.4 -0.964 15.2-138.2-126.6 150.4 -49.2 13.9 1.2 76 79 A V E -pq 100 123C 0 46,-1.6 48,-4.0 -2,-0.3 2,-0.6 -0.928 4.8-157.1-108.8 139.6 -46.2 11.8 0.1 77 80 A V E +pq 101 124C 0 23,-0.8 25,-2.6 -2,-0.4 2,-0.6 -0.945 15.1 179.2-108.2 110.6 -46.3 9.4 -2.7 78 81 A C E + q 0 125C 3 46,-3.7 48,-2.0 -2,-0.6 2,-0.3 -0.805 29.2 120.3-115.0 93.8 -43.5 6.8 -2.2 79 82 A S - 0 0 1 -2,-0.6 25,-0.5 23,-0.4 158,-0.2 -0.988 60.0-113.1-155.0 151.1 -43.5 4.3 -5.1 80 83 A E S S- 0 0 30 -2,-0.3 2,-0.1 1,-0.2 179,-0.1 -0.286 70.7 -68.8 -69.8 170.8 -41.8 2.6 -7.9 81 84 A N S S+ 0 0 15 178,-0.2 2,-0.3 177,-0.1 -1,-0.2 -0.462 77.7 149.3 -66.2 139.2 -43.2 3.4 -11.3 82 85 A S > - 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