==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JUN-10 3NFW . COMPND 2 MOLECULE: FLAVIN REDUCTASE-LIKE, FMN-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM THERMORESISTIBILE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 724 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 479 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 261 36.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 57 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 0 0 0 3 3 4 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 13 7 8 12 0 4 4 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 6 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 A > 0 0 117 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -28.6 46.0 -1.4 16.4 2 4 A E H > + 0 0 76 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.925 360.0 47.7 -63.2 -47.0 42.4 -2.5 16.0 3 5 A A H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.834 110.6 51.2 -66.7 -35.2 41.8 -1.8 19.7 4 6 A I H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 107.6 53.4 -67.0 -39.7 43.5 1.6 19.5 5 7 A D H X S+ 0 0 59 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.892 110.2 47.8 -59.4 -41.1 41.3 2.5 16.5 6 8 A Q H X S+ 0 0 68 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.892 108.5 54.0 -69.3 -39.2 38.2 1.6 18.5 7 9 A R H X S+ 0 0 119 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.898 107.4 51.9 -60.8 -41.1 39.5 3.7 21.5 8 10 A T H X S+ 0 0 53 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.899 107.5 51.4 -61.0 -45.8 39.8 6.8 19.2 9 11 A F H X S+ 0 0 10 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.942 111.2 49.0 -53.9 -50.0 36.2 6.4 17.9 10 12 A R H X S+ 0 0 88 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.913 114.5 44.2 -59.1 -44.6 35.0 6.3 21.5 11 13 A R H < S+ 0 0 135 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.933 117.3 42.6 -66.5 -50.1 37.0 9.4 22.6 12 14 A V H >< S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.2 4,-0.2 0.935 114.8 48.8 -65.9 -49.3 36.2 11.6 19.5 13 15 A L H >< S+ 0 0 4 -4,-2.4 3,-1.6 -5,-0.3 -1,-0.2 0.795 100.3 69.4 -62.2 -24.7 32.4 10.6 19.4 14 16 A G T 3< S+ 0 0 2 -4,-1.1 139,-2.5 -5,-0.3 -1,-0.3 0.665 79.8 76.5 -64.6 -17.5 32.3 11.4 23.1 15 17 A Q T < S+ 0 0 7 -3,-1.8 2,-0.9 -4,-0.3 -1,-0.3 0.680 76.5 84.8 -67.7 -16.6 32.8 15.1 22.3 16 18 A F S < S- 0 0 14 -3,-1.6 2,-0.1 -4,-0.2 207,-0.1 -0.792 81.0-144.7 -86.9 105.9 29.1 15.1 21.2 17 19 A C + 0 0 1 -2,-0.9 184,-1.5 314,-0.2 2,-0.3 -0.439 24.6 175.7 -71.8 144.8 27.3 15.7 24.5 18 20 A T B -AB 151 200A 8 133,-1.9 133,-2.2 182,-0.2 182,-0.2 -0.949 29.9-113.1-140.6 160.9 23.8 14.0 25.1 19 21 A G - 0 0 2 180,-1.5 2,-0.4 -2,-0.3 131,-0.2 -0.122 37.9-115.1 -71.2-173.7 21.1 13.5 27.7 20 22 A V - 0 0 1 129,-0.5 54,-2.5 54,-0.3 2,-0.3 -0.999 28.4-171.8-133.7 131.4 20.4 10.0 29.2 21 23 A T E -HI 36 73B 0 15,-2.1 15,-2.3 -2,-0.4 2,-0.5 -0.869 19.3-147.9-116.0 153.4 17.3 7.8 28.8 22 24 A I E -HI 35 72B 0 50,-1.8 50,-2.3 -2,-0.3 2,-0.5 -0.996 20.1-158.0-111.5 122.8 16.0 4.5 30.3 23 25 A I E -HI 34 71B 0 11,-2.4 11,-1.7 -2,-0.5 2,-0.3 -0.885 21.1-177.9-105.4 125.0 13.9 2.7 27.7 24 26 A T E +HI 33 70B 0 46,-2.3 46,-1.8 -2,-0.5 2,-0.3 -0.834 20.6 167.1-129.6 158.6 11.4 0.2 29.2 25 27 A T E -H 32 0B 2 7,-2.2 7,-2.6 -2,-0.3 2,-0.4 -0.911 30.2-122.2-150.7 177.7 8.8 -2.5 28.6 26 28 A V E -H 31 0B 44 -2,-0.3 2,-0.5 5,-0.2 42,-0.1 -0.999 25.0-173.7-124.9 129.1 6.8 -5.2 30.5 27 29 A H E > S-H 30 0B 31 3,-1.7 3,-1.3 -2,-0.4 36,-0.1 -0.982 71.8 -20.6-128.2 117.2 7.1 -8.8 29.1 28 30 A E T 3 S- 0 0 110 -2,-0.5 -1,-0.1 1,-0.2 38,-0.0 0.926 129.3 -46.6 44.6 53.7 5.0 -11.5 30.7 29 31 A G T 3 S+ 0 0 62 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.136 114.5 97.2 91.9 -19.8 4.4 -9.5 33.9 30 32 A N E < S-H 27 0B 117 -3,-1.3 -3,-1.7 1,-0.0 2,-0.2 -0.832 72.4-113.2-110.0 143.0 7.9 -8.2 34.9 31 33 A P E -H 26 0B 40 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.512 33.1-173.7 -75.7 142.6 9.5 -4.8 34.2 32 34 A V E +H 25 0B 39 -7,-2.6 -7,-2.2 -2,-0.2 2,-0.3 -0.975 10.9 155.7-131.5 140.8 12.5 -4.7 31.8 33 35 A G E -H 24 0B 6 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.996 21.2-162.3-158.9 167.5 14.8 -1.8 30.8 34 36 A F E -H 23 0B 7 -11,-1.7 -11,-2.4 -2,-0.3 2,-0.3 -0.988 28.9-111.5-147.4 151.1 18.2 -0.5 29.6 35 37 A A E +H 22 0B 5 -2,-0.3 2,-0.3 50,-0.3 -13,-0.2 -0.621 39.4 179.7 -79.8 140.5 20.1 2.8 29.6 36 38 A C E +H 21 0B 4 -15,-2.3 -15,-2.1 -2,-0.3 3,-0.1 -0.988 30.8 173.1-147.9 133.6 20.6 4.6 26.2 37 39 A Q + 0 0 21 -2,-0.3 2,-1.4 -17,-0.2 -18,-0.1 0.521 69.1 87.4-109.9 -10.3 22.2 7.8 24.8 38 40 A S + 0 0 18 14,-0.2 14,-0.7 184,-0.1 2,-0.3 -0.338 66.0 128.2 -87.2 53.4 21.7 7.1 21.0 39 41 A F E +J 51 0B 7 -2,-1.4 2,-0.3 12,-0.2 12,-0.2 -0.809 29.5 166.8-112.0 146.3 18.2 8.7 21.1 40 42 A A E -J 50 0B 8 10,-2.0 10,-2.3 -2,-0.3 2,-0.3 -0.977 40.6-110.0-155.5 147.8 16.7 11.4 18.8 41 43 A A E +J 49 0B 14 -2,-0.3 8,-0.2 8,-0.2 136,-0.1 -0.626 39.8 177.1 -66.4 135.1 13.5 13.2 17.8 42 44 A L E + 0 0 0 6,-2.1 2,-0.3 1,-0.3 7,-0.2 0.808 48.1 4.0-113.0 -49.5 12.8 12.0 14.2 43 45 A S E > -J 48 0B 0 5,-1.8 5,-2.1 1,-0.1 -1,-0.3 -0.997 36.5-160.0-149.1 146.1 9.5 13.4 12.7 44 46 A L T 5S+ 0 0 22 -2,-0.3 -1,-0.1 1,-0.3 264,-0.1 0.852 84.8 58.6 -90.9 -44.0 6.6 15.7 13.6 45 47 A D T 5S+ 0 0 114 1,-0.4 -1,-0.3 2,-0.1 143,-0.0 -0.911 122.5 19.4-132.8 101.7 4.0 14.3 11.1 46 48 A P T 5S- 0 0 41 0, 0.0 2,-0.7 0, 0.0 -1,-0.4 0.614 110.6-120.3 -72.9 160.5 3.7 11.4 11.8 47 49 A P T 5 + 0 0 22 0, 0.0 88,-2.2 0, 0.0 2,-0.3 -0.599 48.7 163.1 -76.0 112.1 5.2 11.8 15.3 48 50 A L E < -JK 43 134B 2 -5,-2.1 -6,-2.1 -2,-0.7 -5,-1.8 -0.949 23.2-173.3-131.4 150.0 8.3 9.5 15.5 49 51 A V E -JK 41 133B 0 84,-2.0 84,-2.7 -2,-0.3 2,-0.3 -0.840 13.2-147.4-124.6 167.9 11.4 9.0 17.6 50 52 A L E +JK 40 132B 0 -10,-2.3 -10,-2.0 -2,-0.3 2,-0.3 -0.986 13.2 178.4-134.3 154.9 14.5 6.7 17.2 51 53 A F E -JK 39 131B 0 80,-1.9 80,-2.9 -2,-0.3 -12,-0.2 -0.978 20.3-138.6-147.0 157.9 16.9 4.8 19.3 52 54 A C - 0 0 4 -14,-0.7 -14,-0.2 -2,-0.3 78,-0.2 -0.832 20.2-177.2-124.9 92.5 19.9 2.5 18.6 53 55 A P - 0 0 2 0, 0.0 76,-2.4 0, 0.0 303,-0.1 -0.478 35.1 -99.9 -80.4 157.2 20.4 -0.7 20.7 54 56 A T B > -L 128 0B 17 74,-0.2 3,-1.2 301,-0.2 74,-0.3 -0.379 26.9-119.2 -68.0 156.2 23.3 -3.1 20.2 55 57 A K T 3 S+ 0 0 37 72,-2.2 73,-0.1 1,-0.2 -1,-0.1 0.677 116.8 52.7 -69.2 -17.5 22.8 -6.3 18.2 56 58 A V T 3 S+ 0 0 64 71,-0.3 2,-0.3 299,-0.2 -1,-0.2 0.355 81.1 129.3 -97.3 3.6 23.7 -8.3 21.4 57 59 A S <> - 0 0 1 -3,-1.2 4,-0.8 1,-0.1 299,-0.1 -0.420 40.5-168.0 -65.2 122.8 21.1 -6.5 23.6 58 60 A R H > S+ 0 0 94 -2,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.840 88.0 57.4 -74.1 -34.8 18.8 -8.7 25.7 59 61 A S H > S+ 0 0 19 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.898 101.0 54.6 -66.5 -42.7 16.6 -5.7 26.6 60 62 A W H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.878 101.6 60.1 -56.7 -38.2 15.8 -4.8 23.0 61 63 A K H X S+ 0 0 13 -4,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.868 103.2 50.9 -63.0 -33.8 14.6 -8.4 22.4 62 64 A A H X S+ 0 0 5 -4,-1.1 4,-1.8 -3,-0.4 -1,-0.2 0.871 111.4 48.0 -65.3 -39.8 11.9 -8.0 25.1 63 65 A I H X S+ 0 0 2 -4,-1.5 4,-2.7 2,-0.2 5,-0.4 0.906 109.6 52.6 -63.9 -45.2 10.7 -4.7 23.4 64 66 A E H < S+ 0 0 67 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.880 110.5 49.4 -58.0 -37.6 10.7 -6.4 20.0 65 67 A A H < S+ 0 0 51 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.894 117.8 37.2 -70.1 -42.4 8.5 -9.2 21.5 66 68 A S H < S- 0 0 42 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.770 93.0-142.7 -80.1 -28.6 5.9 -6.8 23.2 67 69 A G < + 0 0 25 -4,-2.7 52,-2.0 1,-0.2 2,-0.3 0.557 69.1 92.7 74.7 9.7 6.0 -4.2 20.4 68 70 A R E + M 0 118B 120 -5,-0.4 2,-0.3 50,-0.3 50,-0.2 -0.973 45.3 166.4-136.0 144.0 5.7 -1.4 23.0 69 71 A F E - M 0 117B 0 48,-2.1 48,-2.7 -2,-0.3 2,-0.4 -0.988 23.4-142.5-153.5 155.8 8.2 0.9 24.9 70 72 A C E -IM 24 116B 0 -46,-1.8 -46,-2.3 -2,-0.3 2,-0.6 -0.973 14.8-145.7-115.4 134.7 8.4 4.0 27.1 71 73 A V E -IM 23 115B 0 44,-2.4 44,-1.6 -2,-0.4 2,-0.6 -0.897 12.7-163.0 -96.6 117.6 11.3 6.5 26.9 72 74 A N E -IM 22 114B 0 -50,-2.3 -50,-1.8 -2,-0.6 2,-0.6 -0.914 7.2-151.3-101.4 114.9 12.2 8.1 30.3 73 75 A I E -IM 21 113B 3 40,-2.1 39,-2.2 -2,-0.6 40,-1.0 -0.772 25.9-128.4 -86.9 121.0 14.4 11.3 30.0 74 76 A L - 0 0 1 -54,-2.5 75,-2.2 -2,-0.6 -54,-0.3 -0.450 9.1-141.1 -87.9 141.1 16.5 11.5 33.2 75 77 A H B > -O 148 0C 9 35,-0.3 3,-2.2 73,-0.3 -1,-0.1 -0.507 34.1-108.4 -80.8 155.1 17.0 14.4 35.7 76 78 A E G > S+ 0 0 56 71,-2.7 3,-1.2 1,-0.3 -1,-0.1 0.823 118.9 64.5 -59.2 -29.2 20.5 15.0 37.2 77 79 A K G 3 S+ 0 0 171 70,-0.3 3,-0.4 1,-0.2 -1,-0.3 0.625 91.8 67.8 -66.8 -10.7 19.2 13.7 40.6 78 80 A Q G X> + 0 0 10 -3,-2.2 4,-1.7 1,-0.2 3,-0.9 0.131 56.3 118.3 -98.6 22.2 18.7 10.3 38.9 79 81 A Q H <> S+ 0 0 73 -3,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.875 75.5 57.9 -53.0 -35.0 22.5 9.5 38.3 80 82 A H H 3> S+ 0 0 128 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.798 102.0 53.4 -63.1 -36.3 21.9 6.4 40.6 81 83 A V H <> S+ 0 0 2 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.922 109.0 48.2 -64.9 -49.8 19.2 5.0 38.2 82 84 A S H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.936 111.9 49.9 -57.4 -48.0 21.5 5.2 35.2 83 85 A A H < S+ 0 0 43 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.864 108.8 53.5 -59.0 -39.9 24.3 3.5 37.1 84 86 A R H >< S+ 0 0 89 -4,-1.9 3,-1.1 1,-0.2 5,-0.2 0.919 109.2 46.9 -61.7 -46.6 21.9 0.7 38.2 85 87 A F H 3< S+ 0 0 3 -4,-2.1 -50,-0.3 1,-0.2 -1,-0.2 0.760 108.2 57.9 -69.8 -22.3 20.8 -0.0 34.6 86 88 A G T 3< S+ 0 0 7 -4,-1.5 267,-2.4 -5,-0.2 -1,-0.2 0.577 97.4 79.7 -79.7 -11.9 24.4 -0.1 33.5 87 89 A S S < S- 0 0 30 -3,-1.1 5,-0.0 -4,-0.5 -3,-0.0 -0.195 84.9-118.6 -91.8 179.8 25.4 -2.8 35.9 88 90 A R + 0 0 179 -2,-0.1 -3,-0.1 2,-0.0 -1,-0.1 0.323 68.9 130.5 -98.9 4.7 25.1 -6.6 35.9 89 91 A E - 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