==== 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, ELECTRON TRANSPORT 02-OCT-07 2RG1 . COMPND 2 MOLECULE: FLAVOPROTEIN WRBA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.KUTA SMATANOVA,J.WOLFOVA,J.BRYNDA,M.LAPKOUSKI,J.R.MESTERS, . 334 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 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 . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 14 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 0 2 0 0 0 0 1 3 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 0 2 3 1 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 . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 1 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 1 A A 0 0 35 0, 0.0 31,-4.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -42.0 -2.5 7.1 8.3 2 2 A K E -a 32 0A 88 29,-0.2 58,-2.7 166,-0.1 59,-1.6 -0.874 360.0-177.6 -99.8 118.9 -6.0 8.7 8.6 3 3 A V E -ab 33 61A 0 29,-3.0 31,-2.6 -2,-0.6 2,-0.5 -0.956 10.0-162.4-119.8 123.6 -6.1 12.2 7.0 4 4 A L E -ab 34 62A 0 57,-2.7 59,-3.2 -2,-0.5 2,-0.7 -0.921 6.1-161.1-104.2 128.3 -9.1 14.5 7.0 5 5 A V E -ab 35 63A 0 29,-3.0 31,-2.6 -2,-0.5 2,-0.5 -0.957 20.8-176.8-102.0 116.3 -9.3 17.4 4.7 6 6 A L E +ab 36 64A 0 57,-2.4 59,-2.9 -2,-0.7 2,-0.3 -0.966 9.3 162.2-120.4 126.0 -12.0 19.7 6.3 7 7 A Y E -ab 37 65A 0 29,-1.8 31,-2.3 -2,-0.5 2,-0.4 -0.887 36.5-143.6-139.3 164.7 -13.2 22.8 4.6 8 8 A Y - 0 0 10 57,-1.6 2,-0.4 -2,-0.3 66,-0.1 -0.998 25.1-173.3-122.5 133.3 -15.8 25.6 4.3 9 9 A S + 0 0 3 -2,-0.4 35,-0.1 29,-0.2 -2,-0.0 -0.982 19.7 173.0-132.2 125.7 -16.4 26.9 0.8 10 10 A M S S+ 0 0 71 -2,-0.4 34,-0.9 33,-0.1 -1,-0.1 0.863 90.1 17.8 -89.6 -44.6 -18.6 29.8 -0.2 11 11 A Y S S- 0 0 138 32,-0.2 34,-0.1 34,-0.0 -2,-0.0 0.356 108.9-101.2-115.2 -0.2 -17.7 30.0 -3.9 12 12 A G S > S+ 0 0 3 32,-0.1 4,-2.6 136,-0.0 5,-0.1 0.205 96.7 105.3 99.0 -13.7 -16.2 26.6 -4.7 13 13 A H H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.927 81.8 44.0 -71.9 -45.0 -12.7 27.8 -4.6 14 14 A I H > S+ 0 0 2 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.902 112.7 55.7 -63.0 -38.5 -11.7 26.3 -1.3 15 15 A E H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.948 107.6 47.7 -57.4 -46.1 -13.5 23.2 -2.4 16 16 A T H X S+ 0 0 58 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.939 114.5 46.7 -59.4 -46.7 -11.3 23.0 -5.5 17 17 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.914 109.9 53.7 -58.9 -44.1 -8.2 23.6 -3.3 18 18 A A H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.883 106.8 51.1 -62.3 -38.7 -9.4 20.9 -0.8 19 19 A R H X S+ 0 0 104 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.849 110.2 50.1 -69.3 -30.4 -9.8 18.3 -3.6 20 20 A A H X S+ 0 0 5 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.894 109.7 50.7 -69.8 -42.2 -6.2 19.1 -4.7 21 21 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.940 113.0 47.2 -55.1 -48.0 -5.0 18.7 -1.0 22 22 A A H X S+ 0 0 9 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.870 108.5 53.3 -65.8 -40.0 -6.8 15.4 -1.0 23 23 A E H X S+ 0 0 105 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.911 111.5 47.4 -59.5 -42.3 -5.4 14.3 -4.3 24 24 A G H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 4,-0.3 0.919 111.2 49.6 -65.0 -45.1 -1.9 15.0 -2.9 25 25 A A H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.893 104.9 59.6 -60.0 -39.5 -2.5 13.2 0.3 26 26 A S H 3< S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.648 90.3 70.3 -66.4 -19.0 -3.8 10.2 -1.6 27 27 A K T << S+ 0 0 123 -3,-1.0 2,-0.6 -4,-0.6 -1,-0.3 0.657 81.1 94.3 -68.7 -17.1 -0.4 9.8 -3.4 28 28 A V S X S- 0 0 25 -3,-1.8 3,-2.1 -4,-0.3 2,-0.3 -0.699 81.9-125.0 -87.6 119.8 1.0 8.7 -0.1 29 29 A D T 3 S+ 0 0 156 -2,-0.6 3,-0.1 1,-0.3 -2,-0.1 -0.419 96.9 19.5 -60.1 120.1 1.2 4.9 0.5 30 30 A G T 3 S+ 0 0 49 1,-0.4 2,-0.4 -2,-0.3 -1,-0.3 0.358 92.5 122.8 100.6 -4.4 -0.6 4.1 3.7 31 31 A A < - 0 0 20 -3,-2.1 2,-0.6 -6,-0.2 -1,-0.4 -0.793 47.3-157.4 -94.1 130.7 -2.6 7.3 4.0 32 32 A E E -a 2 0A 114 -31,-4.4 -29,-3.0 -2,-0.4 2,-0.4 -0.957 19.5-160.8-108.1 112.6 -6.4 7.0 4.2 33 33 A V E +a 3 0A 34 -2,-0.6 2,-0.4 -31,-0.2 -29,-0.2 -0.827 14.9 177.7-110.3 131.5 -7.8 10.3 3.0 34 34 A V E -a 4 0A 33 -31,-2.6 -29,-3.0 -2,-0.4 2,-0.5 -0.976 14.2-151.3-131.9 145.5 -11.3 11.6 3.6 35 35 A V E +a 5 0A 29 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.970 23.5 160.0-118.3 129.2 -12.9 15.0 2.6 36 36 A K E -a 6 0A 36 -31,-2.6 -29,-1.8 -2,-0.5 2,-0.3 -0.954 24.9-140.0-140.3 159.8 -15.6 16.7 4.6 37 37 A R E -ac 7 50A 48 12,-2.4 14,-2.8 -2,-0.3 -29,-0.2 -0.838 22.1-114.6-114.9 159.6 -17.1 20.2 4.9 38 38 A V - 0 0 0 -31,-2.3 -29,-0.2 -2,-0.3 39,-0.1 -0.633 45.6 -93.3 -85.0 148.8 -18.3 22.1 8.0 39 39 A P - 0 0 51 0, 0.0 41,-0.1 0, 0.0 -1,-0.1 -0.215 42.4 -99.2 -58.0 151.5 -22.1 23.0 8.1 40 40 A E 0 0 108 1,-0.1 -32,-0.0 -32,-0.0 0, 0.0 -0.392 360.0 360.0 -64.9 150.6 -23.4 26.3 6.8 41 41 A T 0 0 113 -3,-0.1 -1,-0.1 -2,-0.1 35,-0.0 0.703 360.0 360.0-122.3 360.0 -24.0 28.9 9.5 42 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 43 52 A G 0 0 116 0, 0.0 2,-0.3 0, 0.0 -32,-0.2 0.000 360.0 360.0 360.0 144.7 -23.4 30.0 -4.0 44 53 A K - 0 0 113 -34,-0.9 -32,-0.1 -35,-0.1 2,-0.1 -0.718 360.0 -96.0 -88.4 145.2 -22.1 26.8 -5.6 45 54 A T - 0 0 119 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.448 45.5-114.5 -64.0 136.6 -24.0 23.6 -4.6 46 55 A Q + 0 0 55 1,-0.1 -1,-0.1 -2,-0.1 -36,-0.0 -0.439 34.9 179.6 -77.8 148.1 -22.1 21.9 -1.8 47 56 A T + 0 0 68 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.825 45.9 75.1-115.7 -64.0 -20.5 18.6 -2.4 48 57 A A S S- 0 0 3 1,-0.1 -12,-0.2 -12,-0.1 -11,-0.1 -0.135 87.3 -92.7 -66.4 152.8 -18.5 16.8 0.4 49 58 A P - 0 0 79 0, 0.0 -12,-2.4 0, 0.0 2,-0.4 -0.248 46.4-106.8 -58.6 149.9 -20.4 15.2 3.3 50 59 A V B -c 37 0A 68 -14,-0.2 -12,-0.2 -3,-0.1 2,-0.2 -0.683 33.6-137.8 -86.5 134.2 -20.8 17.4 6.3 51 60 A A - 0 0 2 -14,-2.8 -1,-0.0 -2,-0.4 3,-0.0 -0.478 3.7-139.9 -82.7 153.9 -18.6 16.6 9.3 52 61 A T >> - 0 0 77 -2,-0.2 3,-1.4 -14,-0.1 4,-0.5 -0.887 29.3-110.6-107.7 150.8 -19.6 16.6 13.0 53 62 A P G >4 S+ 0 0 25 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.865 113.7 52.8 -48.5 -43.3 -17.2 18.0 15.6 54 63 A Q G >4 S+ 0 0 151 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.714 89.9 76.5 -74.4 -18.5 -16.3 14.7 17.2 55 64 A E G X4 S+ 0 0 44 -3,-1.4 3,-2.0 1,-0.2 -1,-0.3 0.799 81.1 72.8 -55.2 -29.8 -15.3 13.0 13.9 56 65 A L G X< S+ 0 0 0 -3,-1.4 3,-1.6 -4,-0.5 -1,-0.2 0.851 85.1 64.1 -55.5 -34.9 -12.1 15.1 14.2 57 66 A A G < S+ 0 0 31 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.668 91.3 66.8 -63.2 -17.0 -10.9 12.8 17.0 58 67 A D G < S+ 0 0 96 -3,-2.0 2,-0.3 -4,-0.3 -1,-0.3 0.512 90.4 80.8 -82.0 -5.3 -10.8 9.8 14.5 59 68 A Y < - 0 0 19 -3,-1.6 -56,-0.2 -4,-0.2 3,-0.1 -0.709 61.7-153.1-110.4 151.3 -8.0 11.3 12.4 60 69 A D S S+ 0 0 36 -58,-2.7 37,-2.3 1,-0.3 2,-0.3 0.690 91.5 18.7 -89.4 -26.1 -4.2 11.4 12.7 61 70 A A E -bd 3 97A 0 -59,-1.6 -57,-2.7 35,-0.2 2,-0.4 -0.992 64.6-163.9-143.3 143.2 -4.0 14.7 10.6 62 71 A I E -bd 4 98A 0 35,-2.6 37,-1.5 -2,-0.3 2,-0.6 -0.997 5.0-160.6-129.6 127.8 -6.5 17.3 9.8 63 72 A I E -bd 5 99A 0 -59,-3.2 -57,-2.4 -2,-0.4 2,-0.4 -0.943 16.7-152.3-110.0 115.2 -6.0 19.8 7.0 64 73 A F E -bd 6 100A 1 35,-3.0 37,-2.4 -2,-0.6 2,-0.5 -0.749 9.8-167.6 -98.0 128.6 -8.3 22.8 7.4 65 74 A G E +bd 7 101A 0 -59,-2.9 -57,-1.6 -2,-0.4 37,-0.2 -0.954 17.5 157.1-118.2 127.2 -9.5 24.9 4.5 66 75 A T E - d 0 102A 0 35,-1.9 37,-1.1 -2,-0.5 -57,-0.1 -0.994 38.7-124.5-147.6 142.4 -11.2 28.3 5.0 67 76 A P E - d 0 103A 14 0, 0.0 7,-0.9 0, 0.0 2,-0.3 -0.420 45.3-106.0 -69.6 158.2 -12.0 31.5 3.2 68 77 A T E -N 73 0B 6 35,-1.7 2,-0.4 5,-0.2 5,-0.2 -0.631 24.5-163.5 -81.6 148.8 -10.8 34.6 5.1 69 78 A R E > S-N 72 0B 139 3,-3.0 3,-1.4 -2,-0.3 39,-0.0 -0.879 81.1 -36.2-124.8 98.3 -13.2 36.9 6.9 70 79 A F T 3 S- 0 0 189 -2,-0.4 38,-0.1 1,-0.3 3,-0.1 0.858 123.2 -45.8 54.2 39.6 -11.3 40.1 7.6 71 80 A G T 3 S+ 0 0 17 1,-0.3 2,-0.3 36,-0.3 -1,-0.3 0.526 124.9 95.5 84.2 7.3 -8.0 38.2 8.2 72 81 A N E < S-N 69 0B 65 -3,-1.4 -3,-3.0 1,-0.1 -1,-0.3 -0.797 86.8 -85.9-115.0 164.1 -9.7 35.6 10.5 73 82 A M E -N 68 0B 5 -2,-0.3 -5,-0.2 39,-0.3 -1,-0.1 -0.289 63.6 -80.1 -58.7 158.8 -11.0 32.1 9.6 74 83 A S > - 0 0 4 -7,-0.9 4,-2.6 1,-0.1 5,-0.2 -0.201 34.4-116.7 -59.6 151.6 -14.6 32.1 8.3 75 84 A G H > S+ 0 0 22 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.852 115.5 57.3 -57.2 -35.7 -17.5 32.2 10.7 76 85 A Q H > S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.928 110.0 39.9 -64.3 -45.6 -18.5 28.8 9.5 77 86 A M H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.875 116.5 52.7 -72.2 -36.1 -15.2 27.1 10.4 78 87 A R H X S+ 0 0 110 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.930 109.1 48.2 -65.3 -45.4 -14.9 29.1 13.6 79 88 A T H X S+ 0 0 38 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.895 112.3 50.0 -61.2 -41.6 -18.4 28.1 14.8 80 89 A F H >< S+ 0 0 4 -4,-1.8 3,-1.3 -5,-0.2 -2,-0.2 0.948 111.7 47.1 -61.5 -48.0 -17.6 24.4 14.0 81 90 A L H >< S+ 0 0 8 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.802 102.4 64.5 -69.4 -25.9 -14.3 24.6 15.9 82 91 A D H >< S+ 0 0 107 -4,-2.2 3,-0.7 1,-0.3 -1,-0.3 0.776 94.9 61.7 -60.1 -25.1 -16.2 26.3 18.8 83 92 A Q T << S+ 0 0 111 -3,-1.3 3,-0.3 -4,-0.8 -1,-0.3 0.227 81.7 82.5 -90.6 17.7 -18.1 23.0 19.1 84 93 A T T <> + 0 0 2 -3,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.142 53.9 111.0-104.2 17.9 -14.9 21.1 19.9 85 94 A G H <> S+ 0 0 43 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.847 76.4 52.1 -58.8 -38.4 -15.0 22.1 23.6 86 95 A G H > S+ 0 0 59 -3,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.856 110.1 48.8 -66.6 -37.0 -15.8 18.5 24.6 87 96 A L H >>>S+ 0 0 8 2,-0.2 5,-2.6 1,-0.2 3,-0.8 0.936 111.2 51.0 -64.0 -45.2 -12.8 17.3 22.6 88 97 A W H ><5S+ 0 0 116 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.910 107.0 53.0 -55.1 -48.3 -10.7 19.9 24.3 89 98 A A H 3<5S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.652 114.7 41.7 -66.7 -19.6 -11.8 18.9 27.8 90 99 A S H <<5S- 0 0 89 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.401 110.0-118.4-105.6 1.0 -10.8 15.3 27.1 91 100 A G T X<5 + 0 0 41 -3,-1.2 3,-0.8 -4,-0.6 -3,-0.2 0.767 60.9 152.3 67.9 28.6 -7.5 16.1 25.3 92 101 A A T 3 < + 0 0 30 -5,-2.6 -4,-0.1 1,-0.2 -5,-0.1 0.821 67.7 37.5 -64.6 -37.4 -8.9 14.4 22.2 93 102 A L T > S+ 0 0 2 -6,-0.2 3,-2.1 30,-0.1 -1,-0.2 0.459 83.6 136.7 -96.6 -1.4 -6.9 16.3 19.5 94 103 A Y T < S+ 0 0 54 -3,-0.8 31,-0.2 1,-0.3 30,-0.2 -0.180 76.2 1.8 -52.3 127.8 -3.7 16.5 21.5 95 104 A G T 3 S+ 0 0 27 29,-2.4 -1,-0.3 1,-0.3 30,-0.2 0.400 94.3 133.0 77.8 -1.9 -0.6 15.8 19.4 96 105 A K < - 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