==== 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 28-MAY-04 1WGB . COMPND 2 MOLECULE: PROBABLE FLAVOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.IMAGAWA,H.TSUGE,H.UTSUNOMIYA,S.YOKOYAMA,S.KURAMITSU,RIKEN . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 71.7 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 . 63 39.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 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 2.5 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 . 14 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 1 0 0 2 0 0 0 0 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 . 2 2 1 2 0 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 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 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 X 0 0 184 0, 0.0 2,-1.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 171.6 48.7 42.4 63.4 2 2 A N > - 0 0 110 1,-0.2 4,-2.6 2,-0.1 5,-0.1 -0.680 360.0-176.2 -82.5 92.1 46.6 39.3 63.2 3 3 A L H > S+ 0 0 80 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.827 80.6 54.1 -59.7 -36.6 48.6 37.4 60.4 4 4 A E H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.918 111.1 46.1 -65.4 -42.3 46.1 34.5 60.3 5 5 A A H > S+ 0 0 40 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.933 110.0 55.1 -64.0 -45.3 43.3 37.0 59.7 6 6 A K H X S+ 0 0 72 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.911 108.1 48.2 -53.0 -47.4 45.4 38.8 57.1 7 7 A K H X S+ 0 0 85 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.912 113.3 47.5 -60.3 -45.7 45.9 35.6 55.1 8 8 A K H X S+ 0 0 151 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.917 112.3 48.5 -61.4 -49.1 42.2 34.7 55.2 9 9 A V H >< S+ 0 0 86 -4,-2.9 3,-1.4 1,-0.2 4,-0.2 0.953 114.0 45.9 -59.2 -50.9 41.1 38.2 54.2 10 10 A L H >< S+ 0 0 59 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.852 110.3 54.5 -62.1 -33.4 43.6 38.3 51.3 11 11 A R H 3< S+ 0 0 118 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.606 95.3 69.7 -75.5 -9.8 42.6 34.8 50.3 12 12 A S T << S+ 0 0 81 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.504 75.9 111.1 -83.8 -4.5 38.9 36.0 50.1 13 13 A F < - 0 0 104 -3,-1.3 2,-0.4 -4,-0.2 -3,-0.0 -0.469 67.9-130.4 -71.7 142.3 39.9 38.1 47.0 14 14 A T + 0 0 119 -2,-0.2 2,-0.3 136,-0.1 -2,-0.1 -0.772 30.2 178.2 -97.2 136.8 38.3 36.9 43.8 15 15 A Y - 0 0 53 -2,-0.4 135,-2.3 20,-0.1 136,-0.4 -0.936 23.8-139.8-137.0 158.4 40.5 36.3 40.7 16 16 A G B -A 149 0A 15 18,-0.5 2,-0.4 -2,-0.3 133,-0.2 -0.566 30.1-117.2-102.6 175.0 40.2 35.2 37.1 17 17 A L + 0 0 1 131,-1.4 54,-2.0 54,-0.2 131,-0.3 -0.977 38.8 169.0-119.4 131.4 42.9 33.0 35.5 18 18 A Y E -BC 33 70B 48 15,-2.3 15,-2.5 -2,-0.4 2,-0.5 -0.889 31.0-131.1-136.2 164.3 44.9 34.3 32.6 19 19 A V E -BC 32 69B 0 50,-2.3 50,-2.4 -2,-0.3 2,-0.4 -0.985 21.8-163.6-120.5 122.7 48.0 33.4 30.6 20 20 A L E -BC 31 68B 0 11,-2.7 11,-1.9 -2,-0.5 2,-0.3 -0.869 8.3-171.2-106.4 138.9 50.5 36.2 30.0 21 21 A T E +BC 30 67B 0 46,-2.5 46,-2.0 -2,-0.4 2,-0.3 -0.921 10.1 169.0-129.6 156.9 53.1 35.9 27.3 22 22 A A E -B 29 0B 0 7,-2.0 7,-2.4 -2,-0.3 2,-0.3 -0.958 8.7-168.9-155.9 163.5 56.2 37.8 26.3 23 23 A K E -B 28 0B 69 -2,-0.3 2,-0.3 42,-0.2 5,-0.2 -0.995 19.9-167.2-162.0 157.5 59.2 37.4 24.0 24 24 A D E > S-B 27 0B 88 3,-2.6 3,-2.0 -2,-0.3 2,-0.2 -0.873 74.7 -49.3-147.6 103.5 62.6 38.6 22.9 25 25 A G T 3 S- 0 0 53 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.458 125.2 -17.6 64.5-130.9 63.8 37.1 19.7 26 26 A D T 3 S+ 0 0 159 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.585 116.3 101.9 -82.7 -9.4 63.5 33.4 19.9 27 27 A E E < +B 24 0B 91 -3,-2.0 -3,-2.6 2,-0.0 2,-0.3 -0.646 51.3 175.6 -79.7 119.5 63.1 33.5 23.7 28 28 A V E -B 23 0B 16 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.916 11.9-170.5-124.9 152.1 59.5 33.2 24.7 29 29 A A E +B 22 0B 2 -7,-2.4 -7,-2.0 -2,-0.3 2,-0.3 -0.999 5.1 177.1-144.1 140.1 57.8 32.9 28.1 30 30 A A E +B 21 0B 7 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.994 7.1 168.2-141.4 144.6 54.2 32.1 29.2 31 31 A G E -B 20 0B 7 -11,-1.9 -11,-2.7 -2,-0.3 2,-0.3 -0.977 36.2-112.6-160.7 146.2 52.6 31.8 32.6 32 32 A T E +B 19 0B 19 50,-2.1 2,-0.3 -2,-0.3 -13,-0.2 -0.606 42.3 178.2 -76.5 134.0 49.3 31.5 34.3 33 33 A V E -B 18 0B 16 -15,-2.5 -15,-2.3 -2,-0.3 3,-0.1 -0.950 26.4-179.5-137.4 157.3 48.6 34.6 36.4 34 34 A N + 0 0 10 -2,-0.3 2,-2.3 15,-0.2 -18,-0.5 0.556 61.9 91.3-130.0 -21.3 45.8 35.8 38.7 35 35 A W + 0 0 71 14,-0.3 14,-3.0 -20,-0.1 2,-0.3 -0.458 65.2 130.1 -80.9 73.9 46.8 39.2 40.0 36 36 A V E +D 48 0B 20 -2,-2.3 2,-0.3 12,-0.2 -20,-0.2 -0.961 23.3 151.5-133.0 144.4 45.1 41.1 37.2 37 37 A T E -D 47 0B 91 10,-2.0 10,-3.6 -2,-0.3 2,-0.2 -0.978 44.9-103.4-165.3 152.1 42.7 44.0 36.8 38 38 A Q E -D 46 0B 110 -2,-0.3 8,-0.3 8,-0.3 3,-0.1 -0.533 30.3-172.9 -73.8 153.2 41.7 46.8 34.5 39 39 A A E + 0 0 62 6,-3.5 2,-0.3 1,-0.4 7,-0.2 0.448 60.4 8.9-127.9 -6.9 43.1 50.1 35.8 40 40 A S E > -D 45 0B 31 5,-1.2 5,-1.0 1,-0.1 -1,-0.4 -0.965 46.3-148.1-169.0 154.1 41.6 52.7 33.4 41 41 A F T 5S+ 0 0 181 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.836 86.9 59.3 -93.4 -46.7 39.0 53.1 30.7 42 42 A Q T 5S+ 0 0 185 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 -0.945 118.3 19.4-134.0 111.1 40.7 55.9 28.8 43 43 A P T 5S- 0 0 57 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.647 109.6-114.5 -72.1 170.8 43.3 55.1 27.9 44 44 A P T 5 + 0 0 51 0, 0.0 92,-2.8 0, 0.0 2,-0.4 -0.625 47.1 177.1 -76.8 101.3 42.6 51.4 28.2 45 45 A L E < -DE 40 135B 35 -2,-1.1 -6,-3.5 -5,-1.0 -5,-1.2 -0.850 15.9-171.1-111.7 142.9 45.0 50.3 31.0 46 46 A V E -DE 38 134B 11 88,-2.5 88,-2.3 -2,-0.4 2,-0.5 -0.944 11.7-147.2-126.5 148.6 45.4 46.9 32.6 47 47 A A E -DE 37 133B 11 -10,-3.6 -10,-2.0 -2,-0.3 2,-0.4 -0.972 14.1-176.8-120.7 129.9 47.5 46.1 35.7 48 48 A V E -DE 36 132B 1 84,-2.4 84,-3.0 -2,-0.5 2,-0.8 -0.987 19.8-141.8-128.7 124.1 49.3 42.7 36.2 49 49 A G E - E 0 131B 7 -14,-3.0 2,-0.4 -2,-0.4 -14,-0.3 -0.755 26.6-178.0 -86.4 113.2 51.2 41.7 39.3 50 50 A L E - E 0 130B 3 80,-2.5 80,-2.3 -2,-0.8 2,-0.3 -0.906 33.2-108.4-113.9 140.6 54.3 39.8 38.2 51 51 A K E - E 0 129B 86 -2,-0.4 6,-0.3 78,-0.2 78,-0.3 -0.510 23.3-138.1 -67.9 125.8 56.9 38.2 40.5 52 52 A R S S+ 0 0 115 76,-1.7 2,-1.3 -2,-0.3 -1,-0.2 0.875 99.6 56.7 -51.6 -41.8 60.1 40.3 40.3 53 53 A D S S+ 0 0 138 75,-0.5 2,-0.3 4,-0.1 -1,-0.3 -0.639 90.5 98.6 -94.8 78.3 62.1 37.0 40.3 54 54 A S S > S- 0 0 38 -2,-1.3 4,-1.8 -3,-0.2 -4,-0.0 -0.983 77.3-116.8-157.3 156.2 60.5 35.3 37.3 55 55 A H H > S+ 0 0 88 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.929 113.7 49.4 -62.2 -48.2 61.2 34.7 33.6 56 56 A L H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.862 107.3 54.6 -62.8 -35.6 58.1 36.6 32.4 57 57 A H H > S+ 0 0 7 -6,-0.3 4,-2.7 1,-0.2 5,-0.3 0.933 107.4 51.5 -63.6 -42.8 58.9 39.6 34.6 58 58 A A H X S+ 0 0 22 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.932 113.9 42.6 -59.4 -48.4 62.4 39.9 33.1 59 59 A L H X S+ 0 0 6 -4,-2.0 4,-2.6 2,-0.2 5,-0.5 0.925 116.1 47.5 -65.4 -45.2 61.0 39.8 29.5 60 60 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.907 114.0 47.2 -63.3 -42.9 58.1 42.1 30.1 61 61 A E H < S+ 0 0 105 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.907 118.4 40.9 -65.5 -42.4 60.3 44.7 32.0 62 62 A R H < S+ 0 0 198 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.812 126.8 29.5 -77.7 -34.6 63.0 44.6 29.3 63 63 A T H < S- 0 0 37 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.678 89.1-142.1 -99.3 -22.5 60.9 44.6 26.1 64 64 A G < + 0 0 19 -4,-1.9 56,-3.0 -5,-0.5 2,-0.4 0.708 63.5 109.8 69.1 20.1 57.9 46.4 27.4 65 65 A K E + F 0 119B 79 -6,-0.3 2,-0.3 54,-0.2 -42,-0.2 -0.966 37.2 161.3-129.6 146.2 55.5 44.2 25.4 66 66 A L E - F 0 118B 0 52,-1.9 52,-2.7 -2,-0.4 2,-0.3 -0.993 24.2-148.6-158.9 158.8 53.0 41.6 26.6 67 67 A A E -CF 21 117B 0 -46,-2.0 -46,-2.5 -2,-0.3 2,-0.4 -0.957 14.3-163.4-128.9 147.5 50.0 39.6 25.5 68 68 A L E -CF 20 116B 7 48,-2.2 48,-1.8 -2,-0.3 2,-0.4 -0.999 2.0-167.1-136.9 132.6 47.3 38.3 27.9 69 69 A X E -CF 19 115B 0 -50,-2.4 -50,-2.3 -2,-0.4 2,-0.5 -0.956 17.6-134.8-120.3 139.7 44.6 35.6 27.3 70 70 A T E -CF 18 114B 33 44,-2.0 44,-0.9 -2,-0.4 -52,-0.2 -0.804 23.6-131.5 -93.4 130.1 41.6 35.0 29.4 71 71 A L - 0 0 1 -54,-2.0 77,-2.5 -2,-0.5 -54,-0.2 -0.556 20.9-119.2 -81.3 144.4 41.0 31.3 30.1 72 72 A A B > -H 147 0C 0 75,-0.3 3,-2.3 -2,-0.2 -1,-0.1 -0.428 28.4-104.1 -79.3 159.7 37.5 29.8 29.6 73 73 A H T 3 S+ 0 0 107 73,-2.4 3,-0.3 1,-0.3 76,-0.1 0.745 122.0 46.5 -54.6 -26.4 35.5 28.3 32.4 74 74 A D T 3 S+ 0 0 108 72,-0.2 -1,-0.3 1,-0.2 3,-0.3 0.188 90.6 85.8-103.9 17.8 36.3 24.8 31.1 75 75 A Q X> + 0 0 14 -3,-2.3 4,-2.2 1,-0.2 3,-0.5 -0.009 40.7 123.5-110.2 31.8 40.0 25.3 30.5 76 76 A K H 3> S+ 0 0 92 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.920 75.2 57.0 -53.1 -46.7 41.4 24.5 33.9 77 77 A A H 3> S+ 0 0 64 -3,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.844 107.8 46.8 -55.0 -39.0 43.6 21.8 32.3 78 78 A I H X> S+ 0 0 15 -3,-0.5 3,-0.8 2,-0.2 4,-0.7 0.932 110.3 51.5 -71.0 -44.9 45.2 24.4 30.0 79 79 A A H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.3 -2,-0.2 0.854 104.8 60.6 -58.5 -33.2 45.8 26.9 32.8 80 80 A Q H >< S+ 0 0 102 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.846 97.7 57.4 -62.9 -36.3 47.4 24.0 34.7 81 81 A D H X< S+ 0 0 48 -4,-1.0 3,-0.6 -3,-0.8 -1,-0.2 0.696 96.4 62.9 -71.5 -19.6 50.1 23.6 32.0 82 82 A F T << S+ 0 0 3 -3,-0.7 -50,-2.1 -4,-0.7 -1,-0.2 0.080 81.4 78.3 -97.4 28.0 51.4 27.1 32.2 83 83 A F T < S+ 0 0 110 -3,-0.9 -1,-0.2 -52,-0.2 -2,-0.1 0.679 87.5 71.1 -96.5 -27.5 52.6 26.9 35.8 84 84 A K S < S- 0 0 128 -3,-0.6 3,-0.1 -4,-0.3 -3,-0.0 -0.321 105.6 -72.2 -84.0 167.5 55.6 25.0 34.6 85 85 A P - 0 0 109 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.210 59.0 -99.6 -58.0 153.9 58.6 26.5 32.6 86 86 A T - 0 0 32 -58,-0.1 2,-0.5 -3,-0.1 -58,-0.1 -0.655 38.1-173.6 -82.3 125.5 57.8 27.4 29.0 87 87 A V - 0 0 84 -2,-0.5 7,-2.1 -3,-0.1 2,-0.5 -0.943 10.0-155.3-121.7 108.0 58.9 24.8 26.5 88 88 A R E +I 93 0D 124 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.728 18.0 170.5 -89.1 124.9 58.5 25.8 22.9 89 89 A E E > -I 92 0D 150 3,-2.6 3,-0.8 -2,-0.5 2,-0.1 -0.905 62.4 -51.4-134.7 104.7 58.2 23.1 20.2 90 90 A G T 3 S- 0 0 51 -2,-0.4 -1,-0.0 1,-0.2 0, 0.0 -0.456 120.5 -19.9 66.9-138.5 57.2 24.1 16.8 91 91 A D T 3 S+ 0 0 107 -2,-0.1 7,-2.3 -3,-0.1 2,-0.3 -0.102 123.6 89.9 -94.0 37.7 54.1 26.3 16.9 92 92 A R E < -IJ 89 97D 131 -3,-0.8 -3,-2.6 5,-0.3 2,-0.5 -0.984 57.8-157.1-135.4 145.7 53.2 24.9 20.3 93 93 A L E > S-IJ 88 96D 0 3,-2.9 3,-2.3 -2,-0.3 -5,-0.2 -0.986 85.2 -16.9-122.1 120.6 53.9 26.0 23.9 94 94 A N T 3 S- 0 0 28 -7,-2.1 -1,-0.1 -2,-0.5 -6,-0.1 0.856 133.7 -49.1 53.2 35.1 53.7 23.3 26.6 95 95 A G T 3 S+ 0 0 48 -8,-0.4 -1,-0.3 1,-0.2 -7,-0.1 0.451 117.1 114.3 86.0 1.5 51.7 21.3 24.1 96 96 A H E < -J 93 0D 18 -3,-2.3 -3,-2.9 -18,-0.1 -1,-0.2 -0.909 67.6-118.0-112.2 128.3 49.4 24.0 23.1 97 97 A P E -J 92 0D 33 0, 0.0 13,-1.0 0, 0.0 14,-0.5 -0.241 35.9-179.7 -59.8 143.8 49.2 25.6 19.7 98 98 A F E -K 109 0E 21 -7,-2.3 11,-0.2 11,-0.2 0, 0.0 -0.957 14.4-155.8-141.8 158.4 50.0 29.4 19.5 99 99 A E E -K 108 0E 77 9,-2.1 9,-1.5 -2,-0.3 2,-0.2 -0.939 35.1 -93.6-132.9 154.8 50.1 32.0 16.7 100 100 A P E -K 107 0E 93 0, 0.0 6,-0.1 0, 0.0 5,-0.1 -0.521 47.7-111.4 -69.8 132.7 52.0 35.3 16.5 101 101 A S > - 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