==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-OCT-05 2B81 . COMPND 2 MOLECULE: LUCIFERASE-LIKE MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR Y.KIM,H.LI,S.MOY,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER FOR S . 1273 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 839 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 171 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 1 0.1 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 . 69 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 380 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.6 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 1 0 7 4 0 4 0 8 0 2 6 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 11 12 8 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 . 0 4 6 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 0 0 0 0 0 0 0 0 4 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 X 0 0 165 0, 0.0 239,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -53.9 47.5 12.9 -4.6 2 5 A E > + 0 0 137 1,-0.1 3,-1.1 237,-0.1 4,-0.3 -0.254 360.0 132.8-111.8 38.8 48.2 14.3 -8.1 3 6 A K T 3 S+ 0 0 88 1,-0.3 185,-0.2 2,-0.1 3,-0.2 0.871 83.8 17.9 -63.9 -39.1 46.9 17.7 -6.9 4 7 A F T > S+ 0 0 16 -3,-0.1 3,-1.9 1,-0.1 -1,-0.3 -0.068 84.7 132.4-118.8 33.3 49.8 19.7 -8.3 5 8 A A T < S+ 0 0 54 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.789 84.8 26.5 -60.1 -32.1 51.0 17.1 -10.7 6 9 A N T 3 S+ 0 0 134 -4,-0.3 2,-0.7 -3,-0.2 -1,-0.3 -0.043 87.0 124.1-122.8 33.5 51.3 19.6 -13.6 7 10 A H <> - 0 0 2 -3,-1.9 4,-2.4 1,-0.2 5,-0.3 -0.841 47.8-155.2 -96.9 110.7 51.8 22.9 -11.7 8 11 A F H > S+ 0 0 93 -2,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.886 88.0 41.1 -53.2 -53.5 54.9 24.5 -13.0 9 12 A G H > S+ 0 0 3 113,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.883 115.0 51.0 -67.0 -41.0 55.9 26.6 -10.0 10 13 A Y H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 3,-0.2 0.939 112.9 44.4 -62.9 -48.0 55.0 24.0 -7.4 11 14 A N H < S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.777 110.8 53.6 -74.1 -24.8 57.0 21.3 -9.0 12 15 A R H < S+ 0 0 32 -4,-1.7 305,-2.8 -5,-0.3 -1,-0.2 0.837 121.0 34.0 -70.9 -30.0 60.0 23.5 -9.6 13 16 A X H < S+ 0 0 0 -4,-1.5 2,-0.4 -3,-0.2 7,-0.3 0.771 116.1 49.0 -93.4 -31.9 59.9 24.4 -5.9 14 17 A F < + 0 0 5 -4,-2.7 2,-0.3 -5,-0.1 -1,-0.1 -0.950 45.8 141.8-131.1 131.9 58.8 21.2 -4.1 15 18 A A > - 0 0 35 -2,-0.4 3,-2.2 3,-0.3 226,-0.0 -0.935 56.6 -88.5-159.0 145.9 59.6 17.5 -4.0 16 19 A K T 3 S+ 0 0 148 -2,-0.3 3,-0.1 1,-0.3 224,-0.0 -0.333 113.9 4.4 -55.1 128.4 59.7 15.0 -1.1 17 20 A D T 3 S+ 0 0 101 1,-0.2 2,-0.3 264,-0.1 -1,-0.3 0.443 109.7 107.9 70.9 1.6 63.3 15.0 0.4 18 21 A Q < - 0 0 80 -3,-2.2 2,-0.4 266,-0.1 -3,-0.3 -0.743 52.5-156.5-101.3 157.7 64.4 17.8 -1.9 19 22 A L - 0 0 4 -2,-0.3 2,-0.3 296,-0.1 268,-0.2 -1.000 8.2-174.0-131.3 133.5 65.1 21.4 -0.8 20 23 A T E -a 287 0A 0 266,-1.8 268,-2.3 -2,-0.4 2,-0.3 -0.846 20.0-123.9-119.0 164.9 65.1 24.5 -2.9 21 24 A L E +a 288 0A 0 293,-0.7 32,-2.6 30,-0.3 33,-0.6 -0.819 24.9 178.0-112.8 147.1 66.1 28.1 -2.0 22 25 A G E -ab 289 54A 0 266,-2.3 268,-2.5 -2,-0.3 2,-0.3 -0.788 20.3-124.1-134.0-179.4 64.2 31.3 -2.3 23 26 A V E -ab 290 55A 1 31,-2.3 33,-2.3 266,-0.3 2,-0.4 -0.952 13.3-131.6-136.2 148.0 64.7 34.9 -1.4 24 27 A H E - b 0 56A 15 266,-2.2 268,-0.4 -2,-0.3 33,-0.2 -0.843 35.7 -98.0-103.4 131.3 62.9 37.5 0.7 25 28 A I S S+ 0 0 0 31,-2.8 33,-0.2 -2,-0.4 2,-0.1 -0.705 103.2 54.0 -83.0 141.7 62.0 41.0 -0.4 26 29 A P S S- 0 0 0 0, 0.0 2,-1.8 0, 0.0 266,-0.3 0.455 72.5-161.1 -73.8 131.4 63.5 43.6 0.1 27 30 A I + 0 0 2 264,-0.1 2,-0.3 -4,-0.1 -2,-0.1 -0.677 58.9 101.1 -78.1 84.7 66.7 42.0 -1.2 28 31 A E S S- 0 0 29 -2,-1.8 2,-0.9 271,-0.1 3,-0.2 -0.942 77.4-126.3-168.9 142.2 68.7 44.7 0.6 29 32 A N + 0 0 35 -2,-0.3 3,-0.2 1,-0.2 264,-0.1 -0.402 48.9 150.1 -96.1 60.0 70.7 44.9 3.8 30 33 A Y > + 0 0 23 -2,-0.9 3,-2.2 1,-0.2 2,-0.4 0.673 20.5 174.7 -69.3 -18.8 68.8 47.9 5.2 31 34 A Q T 3 - 0 0 34 262,-2.8 -1,-0.2 1,-0.3 263,-0.1 -0.273 69.4 -4.0 55.5-105.0 69.5 46.8 8.8 32 35 A F T 3 S+ 0 0 32 -2,-0.4 -1,-0.3 -3,-0.2 2,-0.2 0.571 121.9 70.9 -98.7 -13.2 68.1 49.5 11.0 33 36 A H S < S- 0 0 112 -3,-2.2 674,-0.1 1,-0.1 3,-0.1 -0.686 95.0 -88.4-104.7 157.4 67.0 52.2 8.4 34 37 A A - 0 0 50 672,-0.3 37,-0.2 -2,-0.2 -1,-0.1 -0.356 54.3-104.9 -58.9 141.0 64.1 52.0 6.0 35 38 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.422 11.7-140.8 -72.0 148.1 65.2 50.3 2.7 36 39 A T - 0 0 79 -2,-0.1 3,-0.1 2,-0.1 -2,-0.1 0.685 27.6-142.0 -73.7 -22.1 65.8 52.4 -0.4 37 40 A X > + 0 0 13 1,-0.2 3,-1.0 2,-0.1 -10,-0.1 0.525 45.1 156.3 65.5 10.5 64.1 49.7 -2.5 38 41 A E T 3 + 0 0 131 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.252 56.8 8.8 -62.6 148.2 66.7 50.3 -5.2 39 42 A K T 3> S+ 0 0 139 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 0.565 79.5 135.7 63.9 12.4 67.7 47.6 -7.7 40 43 A Q H <> S+ 0 0 3 -3,-1.0 4,-2.1 1,-0.2 5,-0.2 0.899 72.0 49.2 -61.9 -41.1 64.9 45.2 -6.7 41 44 A V H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 112.6 48.6 -59.8 -48.0 63.9 44.4 -10.3 42 45 A E H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.941 114.3 45.8 -55.1 -50.3 67.6 43.7 -11.2 43 46 A L H X S+ 0 0 9 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.819 110.3 51.6 -68.2 -32.6 68.1 41.5 -8.2 44 47 A V H X S+ 0 0 1 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.901 110.5 50.5 -72.5 -36.9 64.9 39.5 -8.6 45 48 A Q H X S+ 0 0 79 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.899 111.8 47.5 -63.3 -42.7 66.0 38.9 -12.2 46 49 A K H X S+ 0 0 63 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.926 108.2 54.4 -64.2 -43.6 69.3 37.7 -11.0 47 50 A A H X>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 4,-0.8 0.894 110.1 48.4 -55.2 -40.7 67.7 35.5 -8.4 48 51 A E H ><5S+ 0 0 17 -4,-2.0 3,-1.0 2,-0.2 -2,-0.2 0.941 110.6 49.8 -63.9 -48.3 65.7 33.9 -11.2 49 52 A Q H 3<5S+ 0 0 159 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.915 109.3 53.4 -53.8 -46.7 68.9 33.5 -13.4 50 53 A Y H 3<5S- 0 0 54 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.620 120.8-104.2 -69.4 -18.6 70.6 31.8 -10.4 51 54 A G T <<5 + 0 0 11 -3,-1.0 -30,-0.3 -4,-0.8 -3,-0.2 0.582 61.8 155.1 103.0 9.4 67.9 29.2 -9.8 52 55 A F < - 0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 -30,-0.2 -0.522 33.0-152.1 -60.3 138.0 66.1 30.5 -6.7 53 56 A T + 0 0 2 -32,-2.6 40,-1.8 1,-0.2 2,-0.3 0.577 64.8 24.9 -97.0 -12.9 62.6 29.1 -7.0 54 57 A G E -bc 22 93A 0 -33,-0.6 -31,-2.3 38,-0.2 2,-0.4 -0.999 51.8-152.9-155.5 152.8 60.6 31.7 -5.2 55 58 A V E -bc 23 94A 0 38,-1.9 40,-2.8 -2,-0.3 2,-0.4 -0.981 25.4-153.6-120.9 132.5 60.4 35.3 -4.1 56 59 A W E -bc 24 95A 0 -33,-2.3 -31,-2.8 -2,-0.4 2,-0.3 -0.896 12.4-175.9-121.7 140.5 58.5 36.2 -0.9 57 60 A L E - c 0 96A 0 38,-1.8 40,-3.8 -2,-0.4 2,-0.2 -0.874 17.9-130.3-124.5 160.7 56.7 39.3 0.3 58 61 A R - 0 0 42 -2,-0.3 2,-0.8 38,-0.2 40,-0.2 -0.729 17.2-125.1-109.7 161.2 54.9 40.4 3.6 59 62 A D + 0 0 12 39,-0.4 2,-0.4 -2,-0.2 14,-0.1 -0.847 47.2 145.7-114.9 95.2 51.5 41.9 4.0 60 63 A V - 0 0 9 -2,-0.8 14,-0.2 16,-0.2 18,-0.1 -0.975 24.8-179.4-141.2 122.9 51.7 45.1 6.0 61 64 A L + 0 0 1 -2,-0.4 440,-0.7 1,-0.1 2,-0.3 0.962 64.0 43.5 -85.4 -56.8 49.7 48.3 5.8 62 65 A L E S-K 500 0B 2 438,-0.1 2,-0.6 71,-0.1 438,-0.2 -0.724 71.4-122.8-107.3 142.0 51.1 50.7 8.4 63 66 A Q E -K 499 0B 21 436,-3.1 436,-2.3 -2,-0.3 -1,-0.0 -0.670 35.2-175.0 -65.2 116.6 54.4 51.9 9.7 64 67 A D >> - 0 0 36 -2,-0.6 3,-2.4 5,-0.2 4,-0.6 -0.924 18.0-157.9-123.3 106.1 54.2 51.0 13.4 65 68 A P G >4 S+ 0 0 36 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.778 91.3 56.7 -53.4 -34.3 57.2 52.2 15.4 66 69 A D G 34 S+ 0 0 124 1,-0.2 608,-0.1 431,-0.2 432,-0.0 0.575 93.6 68.9 -76.1 -10.2 56.6 49.7 18.2 67 70 A F G <4 S- 0 0 63 -3,-2.4 -1,-0.2 2,-0.1 605,-0.1 0.821 95.7-133.5 -81.3 -29.5 56.7 46.7 15.9 68 71 A G << + 0 0 18 -4,-0.6 -2,-0.1 -3,-0.6 605,-0.1 0.846 60.9 128.1 81.7 36.9 60.4 46.9 15.2 69 72 A D > - 0 0 19 -5,-0.4 3,-1.3 1,-0.1 -5,-0.2 -0.875 35.8-173.6-126.4 100.0 60.2 46.5 11.4 70 73 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -38,-0.1 0.738 87.1 52.8 -64.0 -23.2 62.1 49.3 9.5 71 74 A A T 3> S- 0 0 0 -37,-0.2 4,-1.6 2,-0.1 -8,-0.0 0.585 91.9-142.7 -87.1 -15.4 60.9 47.9 6.2 72 75 A T T X4 S- 0 0 6 -3,-1.3 2,-1.3 1,-0.2 3,-1.1 0.954 76.1 -53.3 45.6 61.0 57.1 47.9 7.1 73 76 A G T 34 S- 0 0 0 1,-0.2 -1,-0.2 -14,-0.1 -14,-0.1 -0.657 115.2 -37.1 72.2 -93.9 57.0 44.7 5.0 74 77 A Q T 34 S- 0 0 3 -2,-1.3 2,-3.0 2,-0.4 -1,-0.2 -0.010 80.0-111.4-147.9 36.9 58.6 46.2 1.9 75 78 A I S << S+ 0 0 26 -4,-1.6 426,-0.2 -3,-1.1 2,-0.1 -0.319 96.3 83.2 64.3 -59.3 57.0 49.7 2.1 76 79 A Y S S- 0 0 33 -2,-3.0 -2,-0.4 1,-0.1 -16,-0.2 -0.380 98.8 -88.7 -69.3 149.0 55.0 48.9 -1.1 77 80 A D > - 0 0 2 353,-0.4 4,-2.6 1,-0.1 5,-0.3 -0.361 36.5-129.6 -54.5 131.9 51.6 47.1 -1.0 78 81 A X H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.899 102.1 44.0 -52.7 -52.4 52.3 43.3 -1.2 79 82 A X H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 116.5 46.2 -65.0 -47.1 49.7 42.6 -4.1 80 83 A I H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 116.2 44.1 -61.8 -43.1 50.7 45.6 -6.2 81 84 A Y H X S+ 0 0 7 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.876 110.4 54.9 -73.9 -37.4 54.4 45.0 -5.8 82 85 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.3 5,-0.3 0.962 108.3 49.7 -54.8 -51.9 54.2 41.3 -6.4 83 86 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.920 112.6 48.7 -51.0 -47.4 52.3 42.1 -9.7 84 87 A Y H < S+ 0 0 43 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.916 114.0 42.4 -63.7 -48.2 55.1 44.5 -10.6 85 88 A L H >< S+ 0 0 1 -4,-2.9 3,-1.1 1,-0.2 4,-0.3 0.885 113.8 52.8 -69.0 -38.3 58.0 42.2 -9.9 86 89 A A H >< S+ 0 0 1 -4,-3.0 3,-1.4 -5,-0.3 -2,-0.2 0.873 101.9 60.5 -65.2 -33.7 56.3 39.2 -11.5 87 90 A S T 3< S+ 0 0 12 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.679 105.5 49.2 -65.6 -17.0 55.8 41.4 -14.6 88 91 A K T < S+ 0 0 59 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 0.342 106.6 63.5-103.0 4.7 59.6 41.7 -14.9 89 92 A T < - 0 0 6 -3,-1.4 -44,-0.1 -4,-0.3 -48,-0.0 -0.886 62.5-150.4-128.3 163.6 60.4 38.0 -14.6 90 93 A E S S- 0 0 159 -2,-0.3 -1,-0.1 -45,-0.1 -4,-0.0 0.661 81.0 -6.7-106.4 -20.7 59.7 34.9 -16.7 91 94 A K S S+ 0 0 82 2,-0.1 -5,-0.0 32,-0.0 -2,-0.0 0.595 84.4 113.5-154.7 -31.6 59.5 31.9 -14.3 92 95 A I - 0 0 0 1,-0.1 -38,-0.2 -48,-0.1 2,-0.1 -0.291 66.3-115.8 -54.8 137.9 60.4 32.3 -10.7 93 96 A A E -c 54 0A 2 -40,-1.8 -38,-1.9 -84,-0.2 2,-0.4 -0.467 20.3-144.6 -74.7 150.6 57.4 31.8 -8.3 94 97 A F E -cd 55 124A 0 29,-3.3 31,-2.7 -40,-0.2 2,-0.3 -0.973 19.0-171.0-116.0 136.4 56.1 34.6 -6.2 95 98 A G E -cd 56 125A 1 -40,-2.8 -38,-1.8 -2,-0.4 2,-0.5 -0.930 21.2-132.1-127.9 147.4 54.8 33.9 -2.8 96 99 A T E -cd 57 126A 0 29,-1.9 31,-0.6 -2,-0.3 3,-0.3 -0.870 14.5-152.5 -97.0 130.0 52.9 35.8 -0.1 97 100 A S E S- 0 0 21 -40,-3.8 31,-0.1 -2,-0.5 29,-0.0 -0.515 85.1 -11.1-135.4 70.7 54.3 35.4 3.4 98 101 A A E - 0 0 10 29,-0.3 2,-0.5 -40,-0.2 -39,-0.4 0.540 56.4-163.6-144.3 154.6 51.6 35.9 4.4 99 102 A T E - 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