==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-MAR-08 2VQ7 . COMPND 2 MOLECULE: FLAVIN-CONTAINING MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOPHAGA SP. SK1; . AUTHOR A.ALFIERI,E.MALITO,R.ORRU,M.W.FRAAIJE,A.MATTEVI . 1774 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1117 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 176 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 126 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 420 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.4 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 8 0 0 0 0 0 0 4 0 0 16 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 4 12 12 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 . 20 8 8 0 0 0 4 4 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 . 4 0 8 4 0 4 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 8 A T 0 0 116 0, 0.0 30,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.9 -46.6 203.5 -16.0 2 9 A R E -a 31 0A 74 28,-0.2 152,-2.4 30,-0.0 153,-1.2 -0.961 360.0-158.7-139.4 131.9 -43.5 202.0 -14.4 3 10 A I E -ab 32 155A 0 28,-3.2 30,-2.4 -2,-0.4 2,-0.5 -0.890 5.3-153.6-117.3 138.8 -40.3 200.2 -15.6 4 11 A A E -ab 33 156A 0 151,-1.9 153,-3.2 -2,-0.4 2,-0.5 -0.939 7.0-165.0-110.3 130.0 -37.8 197.9 -13.9 5 12 A I E -ab 34 157A 0 28,-2.6 30,-2.4 -2,-0.5 2,-1.0 -0.961 11.4-148.1-113.7 122.1 -34.2 197.7 -15.1 6 13 A L E +ab 35 158A 0 151,-3.0 153,-2.1 -2,-0.5 30,-0.1 -0.774 64.7 4.0 -97.2 98.7 -32.2 194.8 -13.8 7 14 A G - 0 0 7 28,-2.5 29,-0.2 -2,-1.0 153,-0.1 0.028 57.1-129.7 107.8 146.7 -28.6 195.8 -13.5 8 15 A A + 0 0 0 4,-0.2 34,-2.6 32,-0.1 35,-0.4 -0.308 62.8 117.7-131.8 46.1 -26.4 198.8 -14.0 9 16 A G S > S- 0 0 9 150,-0.5 4,-3.1 33,-0.3 5,-0.3 -0.162 94.8 -63.7 -81.5-169.2 -23.6 197.6 -16.2 10 17 A P H > S+ 0 0 21 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.875 139.1 51.8 -45.2 -39.2 -23.2 199.1 -19.7 11 18 A S H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.931 112.1 40.2 -71.5 -49.9 -26.6 197.7 -20.6 12 19 A G H > S+ 0 0 0 147,-0.4 4,-2.3 2,-0.2 5,-0.2 0.900 116.2 53.3 -63.4 -40.2 -28.7 199.1 -17.7 13 20 A M H X S+ 0 0 3 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.930 109.2 49.3 -58.7 -43.3 -26.7 202.3 -18.0 14 21 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.882 108.5 53.4 -62.1 -37.7 -27.6 202.4 -21.7 15 22 A Q H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.903 111.2 44.8 -67.8 -40.4 -31.3 201.8 -20.9 16 23 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.950 112.0 53.5 -65.6 -45.6 -31.4 204.7 -18.4 17 24 A R H X S+ 0 0 21 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.892 105.0 55.2 -58.0 -39.9 -29.6 206.9 -20.9 18 25 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.938 111.4 42.3 -57.4 -49.4 -32.1 206.1 -23.6 19 26 A F H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.914 112.8 53.2 -67.2 -40.9 -35.1 207.2 -21.5 20 27 A Q H X S+ 0 0 24 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.908 107.1 53.2 -61.0 -39.1 -33.2 210.3 -20.3 21 28 A S H X S+ 0 0 16 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.867 108.4 49.0 -62.4 -37.7 -32.5 211.2 -23.9 22 29 A A H <>S+ 0 0 2 -4,-1.6 5,-2.2 1,-0.2 -1,-0.2 0.907 112.2 48.0 -71.7 -42.2 -36.2 211.0 -24.8 23 30 A Q H ><5S+ 0 0 71 -4,-2.3 3,-1.8 3,-0.2 -2,-0.2 0.860 106.5 58.1 -59.7 -39.6 -37.2 213.2 -21.9 24 31 A E H 3<5S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.858 103.2 53.1 -65.3 -30.1 -34.4 215.7 -22.7 25 32 A K T 3<5S- 0 0 95 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.330 131.6 -95.3 -87.0 7.2 -36.1 216.1 -26.2 26 33 A G T < 5S+ 0 0 12 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.424 78.2 137.3 102.1 2.2 -39.4 216.8 -24.4 27 34 A A < - 0 0 16 -5,-2.2 2,-0.5 -6,-0.1 -1,-0.3 -0.473 57.4-115.4 -79.8 152.8 -41.2 213.5 -24.3 28 35 A E - 0 0 134 -2,-0.1 -1,-0.1 0, 0.0 -5,-0.0 -0.771 38.6-158.2 -85.6 122.7 -43.0 212.3 -21.2 29 36 A I - 0 0 25 -2,-0.5 3,-0.1 1,-0.1 -9,-0.0 -0.709 15.7-107.0-105.7 158.9 -41.3 209.2 -19.8 30 37 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 -28,-0.2 -0.111 48.0 -88.4 -62.1 169.5 -42.3 206.3 -17.6 31 38 A E E -a 2 0A 135 -30,-2.6 -28,-3.2 2,-0.0 2,-0.4 -0.674 47.7-150.2 -79.0 143.5 -41.1 206.0 -14.0 32 39 A L E +a 3 0A 11 -2,-0.3 2,-0.4 -30,-0.2 -28,-0.2 -0.966 21.0 177.2-119.6 132.2 -37.8 204.1 -13.9 33 40 A V E -a 4 0A 10 -30,-2.4 -28,-2.6 -2,-0.4 2,-0.4 -0.990 9.7-169.9-126.6 130.6 -36.4 201.9 -11.1 34 41 A C E -ac 5 118A 0 83,-2.3 85,-3.2 -2,-0.4 2,-0.4 -0.971 7.3-153.5-120.4 131.3 -33.1 200.1 -11.7 35 42 A F E +ac 6 119A 3 -30,-2.4 -28,-2.5 -2,-0.4 2,-0.3 -0.888 15.2 175.2-108.2 132.2 -31.7 197.5 -9.3 36 43 A E - 0 0 15 83,-2.4 86,-3.2 -2,-0.4 5,-0.0 -0.999 24.1-155.8-137.3 136.3 -28.0 196.7 -8.9 37 44 A K S S+ 0 0 51 -2,-0.3 86,-0.1 84,-0.3 21,-0.1 0.783 75.9 76.7 -86.1 -24.7 -26.3 194.3 -6.4 38 45 A Q S S- 0 0 24 2,-0.1 83,-2.9 84,-0.1 84,-0.3 -0.210 88.0-119.0 -72.7 170.1 -22.9 196.0 -6.5 39 46 A A S S+ 0 0 69 81,-0.2 2,-0.3 82,-0.1 81,-0.1 0.553 94.7 26.4 -87.4 -10.1 -22.2 199.3 -4.6 40 47 A D S S- 0 0 40 3,-0.1 3,-0.3 6,-0.1 -2,-0.1 -0.955 85.3-101.8-147.4 163.1 -21.4 201.2 -7.8 41 48 A W S S+ 0 0 3 -2,-0.3 -32,-0.2 1,-0.2 65,-0.1 -0.319 75.0 83.5 -86.1 170.3 -22.2 201.0 -11.5 42 49 A G > - 0 0 0 -34,-2.6 3,-1.8 -2,-0.1 -33,-0.3 0.182 65.5-145.4 123.8 -16.7 -20.2 199.7 -14.5 43 50 A G G > S+ 0 0 5 -35,-0.4 3,-1.5 -3,-0.3 19,-0.2 -0.393 83.6 4.9 66.5-128.0 -20.9 196.0 -14.4 44 51 A Q G 3 S+ 0 0 36 1,-0.2 20,-0.4 -2,-0.2 -1,-0.3 0.856 129.1 65.6 -50.1 -38.9 -17.9 193.9 -15.5 45 52 A W G < S+ 0 0 34 -3,-1.8 2,-1.0 1,-0.1 -1,-0.2 0.574 78.9 88.0 -72.6 -9.3 -15.9 197.2 -15.6 46 53 A N S < S- 0 0 24 -3,-1.5 16,-0.2 -6,-0.1 18,-0.1 -0.777 79.3-142.6 -90.4 99.3 -16.2 197.8 -11.9 47 54 A Y + 0 0 38 -2,-1.0 2,-0.3 16,-0.1 18,-0.1 -0.233 22.6 179.3 -64.7 146.0 -13.2 195.9 -10.5 48 55 A T - 0 0 29 16,-0.4 -2,-0.0 2,-0.2 -1,-0.0 -0.992 32.6-147.9-147.5 143.5 -13.2 193.9 -7.3 49 56 A W S S+ 0 0 20 -2,-0.3 1466,-0.2 16,-0.1 140,-0.1 0.589 72.0 109.2 -80.0 -13.6 -10.6 191.9 -5.4 50 57 A R - 0 0 14 2,-0.0 2,-0.3 138,-0.0 -2,-0.2 -0.170 52.1-161.9 -70.5 163.3 -13.4 189.7 -4.2 51 58 A T - 0 0 18 2,-0.4 2,-1.5 1335,-0.0 1335,-0.1 -0.993 53.9 -10.5-150.8 139.9 -13.9 186.2 -5.4 52 59 A G S S+ 0 0 2 -2,-0.3 8,-3.3 8,-0.1 2,-0.4 -0.488 126.2 20.1 71.8 -90.0 -16.8 183.6 -5.5 53 60 A L B S-G 59 0B 12 -2,-1.5 -2,-0.4 6,-0.3 5,-0.1 -0.922 80.0-132.0-117.7 140.1 -19.3 185.3 -3.2 54 61 A D > - 0 0 16 4,-3.1 3,-1.9 -2,-0.4 1448,-0.1 -0.046 43.3 -77.5 -81.2-173.6 -19.4 189.0 -2.3 55 62 A E T 3 S+ 0 0 87 1,-0.3 1447,-0.2 2,-0.1 -1,-0.1 0.709 133.1 43.9 -62.0 -15.8 -19.7 190.8 1.1 56 63 A N T 3 S- 0 0 26 2,-0.2 -1,-0.3 1445,-0.1 1445,-0.1 0.427 120.9-102.5-105.6 -1.5 -23.5 190.0 1.1 57 64 A G S < S+ 0 0 2 -3,-1.9 -2,-0.1 1,-0.3 3,-0.1 0.397 78.2 132.8 91.3 -2.2 -23.3 186.4 -0.1 58 65 A E S S- 0 0 11 1,-0.1 -4,-3.1 -21,-0.1 -1,-0.3 -0.593 72.3 -88.8 -76.4 143.2 -24.3 187.2 -3.7 59 66 A P B -G 53 0B 40 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.251 50.5-105.4 -47.9 131.5 -22.2 185.6 -6.4 60 67 A V - 0 0 5 -8,-3.3 -8,-0.1 1,-0.1 -12,-0.0 -0.453 35.9-159.1 -60.8 132.4 -19.3 187.9 -7.3 61 68 A H + 0 0 31 -2,-0.2 -1,-0.1 -3,-0.1 -17,-0.1 0.953 56.2 78.9 -85.3 -54.2 -20.2 189.5 -10.6 62 69 A S - 0 0 1 -16,-0.2 -18,-0.1 -19,-0.2 102,-0.1 -0.332 44.8-171.6 -68.0 136.5 -17.1 190.9 -12.3 63 70 A S + 0 0 12 100,-0.1 124,-0.2 -2,-0.1 -1,-0.1 0.274 50.2 122.1 -98.2 6.7 -14.7 188.6 -14.2 64 71 A M - 0 0 19 -20,-0.4 -16,-0.4 -18,-0.1 2,-0.2 -0.381 42.8-162.8 -83.1 154.1 -12.2 191.4 -14.7 65 72 A Y > - 0 0 17 1,-0.1 3,-1.5 -18,-0.1 124,-0.2 -0.764 32.1 -72.7-127.9 166.5 -8.6 191.3 -13.4 66 73 A R T 3 S+ 0 0 41 122,-2.2 124,-0.2 -2,-0.2 -1,-0.1 -0.305 115.5 19.1 -55.5 143.2 -5.7 193.5 -12.8 67 74 A Y T 3 S+ 0 0 11 1,-0.2 -1,-0.2 122,-0.1 2,-0.1 0.464 83.7 153.9 78.0 4.2 -4.0 194.9 -15.9 68 75 A L < - 0 0 21 -3,-1.5 30,-2.6 29,-0.1 2,-0.3 -0.446 19.3-174.9 -67.5 134.6 -7.0 194.2 -18.2 69 76 A W B -H 97 0C 7 28,-0.3 26,-0.0 -2,-0.1 367,-0.0 -0.878 41.1 -73.6-123.8 160.2 -7.1 196.4 -21.3 70 77 A S - 0 0 4 26,-2.6 4,-0.1 -2,-0.3 -1,-0.1 -0.195 38.6-154.4 -44.8 134.5 -9.7 196.8 -24.1 71 78 A N S S+ 0 0 75 2,-0.1 -1,-0.1 -3,-0.0 24,-0.1 0.513 74.6 40.1-101.6 -0.9 -9.4 193.7 -26.3 72 79 A G S S- 0 0 10 22,-0.1 2,-0.2 338,-0.0 5,-0.1 -0.830 107.9 -64.7-128.8 171.9 -10.8 195.4 -29.4 73 80 A P > - 0 0 0 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.437 37.8-135.7 -60.9 124.3 -10.4 198.9 -30.9 74 81 A K G > S+ 0 0 8 20,-2.8 3,-2.0 1,-0.3 4,-0.3 0.833 105.3 62.9 -37.5 -43.5 -11.9 201.6 -28.7 75 82 A E G 3 S+ 0 0 6 1,-0.3 342,-0.4 2,-0.2 3,-0.4 0.680 92.1 62.6 -74.0 -11.8 -13.4 203.0 -31.8 76 83 A C G < S+ 0 0 4 -3,-2.5 243,-0.5 1,-0.2 -1,-0.3 0.538 111.8 37.8 -83.1 -5.8 -15.5 199.9 -32.3 77 84 A L S < S+ 0 0 14 -3,-2.0 -2,-0.2 -4,-0.3 -1,-0.2 0.224 82.7 132.5-127.5 15.8 -17.3 200.6 -29.0 78 85 A E - 0 0 2 -3,-0.4 2,-0.3 -4,-0.3 5,-0.1 -0.413 61.3-113.9 -68.7 141.1 -17.6 204.4 -29.0 79 86 A F B > -I 82 0D 6 3,-0.7 3,-0.6 1,-0.1 5,-0.1 -0.578 13.6-144.7 -69.1 133.6 -21.0 205.8 -28.1 80 87 A A T 3 S+ 0 0 14 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.749 101.5 43.7 -68.2 -23.0 -22.6 207.6 -31.0 81 88 A D T 3 S+ 0 0 36 1,-0.2 -1,-0.2 303,-0.0 2,-0.2 0.375 121.9 33.9-103.3 5.9 -24.1 210.2 -28.6 82 89 A Y B < S-I 79 0D 16 -3,-0.6 -3,-0.7 4,-0.0 -1,-0.2 -0.696 79.9-156.0-165.4 97.7 -21.1 210.7 -26.3 83 90 A T > - 0 0 30 -2,-0.2 4,-2.0 -3,-0.2 5,-0.1 -0.231 29.5-116.2 -86.7 164.1 -17.6 210.6 -27.9 84 91 A F H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.888 118.9 56.2 -60.9 -36.9 -14.1 209.9 -26.5 85 92 A D H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 107.0 47.9 -58.9 -47.1 -13.3 213.5 -27.5 86 93 A E H 4 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.906 117.5 42.5 -59.6 -43.3 -16.2 214.9 -25.4 87 94 A H H < S+ 0 0 37 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.926 125.5 26.3 -76.1 -47.6 -15.2 212.8 -22.4 88 95 A F H < S- 0 0 28 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.657 86.4-138.7 -94.1 -19.1 -11.5 213.0 -22.2 89 96 A G S < S+ 0 0 68 -4,-1.9 -4,-0.1 -5,-0.4 -3,-0.1 0.406 79.7 56.6 75.9 -1.8 -10.8 216.4 -23.9 90 97 A K S S- 0 0 96 -6,-0.3 2,-0.2 -5,-0.0 -2,-0.2 -0.954 95.3 -91.9-147.7 159.4 -7.8 215.0 -25.8 91 98 A P - 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