==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-JAN-05 1YOA . COMPND 2 MOLECULE: PUTATIVE FLAVOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.IMAGAWA,H.TSUGE,Y.SUGIMOTO,H.UTSUNOMIYA,S.YOKOYAMA,S.KURAM . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 69.8 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 . 61 38.4 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 . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 18 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 11.9 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 0 0 1 0 1 1 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 1 0 0 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 M 0 0 180 0, 0.0 2,-1.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 171.1 41.6 64.5 33.0 2 2 A N > - 0 0 112 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.655 360.0-178.5 -75.4 95.4 41.2 67.3 30.4 3 3 A L H > S+ 0 0 81 -2,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.850 76.5 53.7 -70.9 -37.3 37.5 67.0 29.8 4 4 A E H > S+ 0 0 102 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 112.1 46.8 -61.6 -41.5 37.1 69.7 27.1 5 5 A A H > S+ 0 0 37 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.887 108.4 54.3 -67.9 -43.3 39.9 67.9 25.1 6 6 A K H X S+ 0 0 70 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.910 109.7 48.8 -55.3 -44.4 38.3 64.4 25.6 7 7 A K H X S+ 0 0 79 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.921 113.4 45.6 -61.8 -47.2 35.0 65.8 24.1 8 8 A K H < S+ 0 0 137 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.873 113.0 51.0 -64.8 -39.2 36.8 67.4 21.2 9 9 A V H >< S+ 0 0 84 -4,-2.8 3,-1.5 2,-0.2 4,-0.2 0.947 111.6 45.7 -64.0 -47.7 38.9 64.3 20.5 10 10 A L H >< S+ 0 0 64 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.858 109.5 56.7 -67.5 -32.8 35.9 61.9 20.5 11 11 A R T 3< S+ 0 0 113 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.541 93.5 69.1 -74.7 -5.4 34.0 64.3 18.3 12 12 A S T < S+ 0 0 72 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.514 76.9 110.0 -84.6 -5.4 36.8 64.2 15.7 13 13 A F < - 0 0 98 -3,-1.3 2,-0.4 -4,-0.2 -3,-0.0 -0.456 67.2-131.6 -72.5 143.6 35.8 60.5 14.9 14 14 A T + 0 0 95 -2,-0.1 2,-0.3 136,-0.0 -2,-0.1 -0.822 30.9 172.4-102.0 131.6 34.3 59.9 11.5 15 15 A Y - 0 0 53 -2,-0.4 135,-2.5 20,-0.1 136,-0.4 -0.944 25.1-136.8-133.5 158.9 31.1 57.8 11.2 16 16 A G B -A 149 0A 14 18,-0.4 2,-0.4 -2,-0.3 133,-0.2 -0.422 30.2-112.3 -92.1-177.4 28.5 56.8 8.7 17 17 A L + 0 0 5 131,-1.2 54,-1.8 54,-0.2 131,-0.4 -0.986 40.0 166.6-125.3 132.8 24.8 56.8 9.3 18 18 A Y E -BC 33 70B 50 15,-2.2 15,-2.8 -2,-0.4 2,-0.5 -0.893 32.3-127.6-140.4 156.5 22.8 53.5 9.4 19 19 A V E -BC 32 69B 0 50,-2.4 50,-2.4 -2,-0.3 2,-0.4 -0.979 22.4-161.2-112.5 125.6 19.4 52.3 10.5 20 20 A L E -BC 31 68B 0 11,-2.9 11,-2.2 -2,-0.5 2,-0.3 -0.887 10.2-169.7-103.6 132.2 19.4 49.4 12.9 21 21 A T E +BC 30 67B 0 46,-2.5 46,-2.0 -2,-0.4 2,-0.3 -0.925 10.7 169.9-123.1 159.9 16.2 47.3 13.2 22 22 A A E -B 29 0B 0 7,-2.1 7,-2.2 -2,-0.3 2,-0.3 -0.973 6.0-176.2-157.0 157.5 15.0 44.6 15.6 23 23 A K E -B 28 0B 67 -2,-0.3 2,-0.3 42,-0.3 5,-0.2 -0.987 21.1-175.5-163.7 153.4 11.8 42.8 16.4 24 24 A D E > S-B 27 0B 71 3,-2.5 3,-2.0 -2,-0.3 2,-0.2 -0.790 73.3 -57.7-149.3 99.8 10.1 40.2 18.6 25 25 A G T 3 S- 0 0 45 1,-0.3 -1,-0.2 -2,-0.3 0, 0.0 -0.418 125.5 -7.9 60.5-125.4 6.5 39.5 17.5 26 26 A D T 3 S+ 0 0 169 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.574 114.8 98.7 -79.2 -9.2 4.6 42.8 17.5 27 27 A E E < +B 24 0B 74 -3,-2.0 -3,-2.5 32,-0.0 2,-0.4 -0.733 51.7 170.9 -79.1 120.3 7.5 44.6 19.1 28 28 A V E -B 23 0B 23 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.992 9.5-179.0-131.3 137.9 9.4 46.4 16.4 29 29 A A E +B 22 0B 3 -7,-2.2 -7,-2.1 -2,-0.4 2,-0.3 -0.992 5.4 175.2-137.4 143.4 12.2 49.0 16.8 30 30 A A E +B 21 0B 6 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.978 10.3 170.6-145.4 134.7 14.2 51.0 14.3 31 31 A G E -B 20 0B 9 -11,-2.2 -11,-2.9 -2,-0.3 2,-0.4 -0.997 35.2-114.6-149.6 145.9 16.8 53.6 15.0 32 32 A T E +B 19 0B 21 50,-1.9 2,-0.3 -2,-0.3 -13,-0.2 -0.652 42.4 179.8 -77.3 131.7 19.4 55.7 13.3 33 33 A V E +B 18 0B 17 -15,-2.8 -15,-2.2 -2,-0.4 3,-0.1 -0.926 29.6 179.5-132.5 153.7 22.9 54.9 14.6 34 34 A N + 0 0 6 -2,-0.3 2,-2.1 15,-0.2 -18,-0.4 0.593 63.1 90.7-119.5 -27.6 26.5 55.9 14.0 35 35 A W + 0 0 69 14,-0.3 14,-2.5 -20,-0.1 2,-0.4 -0.491 61.9 128.0 -79.3 78.7 28.6 53.8 16.4 36 36 A V E +D 48 0B 23 -2,-2.1 2,-0.3 12,-0.2 -20,-0.2 -0.996 24.7 158.9-138.9 133.4 29.2 51.0 13.9 37 37 A T E -D 47 0B 90 10,-2.3 10,-3.2 -2,-0.4 2,-0.1 -0.992 42.6-107.9-149.5 149.8 32.4 49.3 12.7 38 38 A Q E -D 46 0B 113 -2,-0.3 8,-0.3 8,-0.2 3,-0.1 -0.441 29.2-169.2 -65.6 151.0 33.4 46.0 11.1 39 39 A A E - 0 0 52 6,-2.6 2,-0.2 1,-0.4 7,-0.2 0.264 61.7 -1.7-133.8 8.8 35.3 43.8 13.7 40 40 A S E > -D 45 0B 37 5,-0.7 5,-1.1 1,-0.1 -1,-0.4 -0.782 47.8-140.5 173.9 150.6 36.8 40.9 11.7 41 41 A F T 5S+ 0 0 185 1,-0.4 -1,-0.1 -2,-0.2 -2,-0.0 0.838 93.3 62.8 -83.3 -45.4 36.8 39.7 8.1 42 42 A Q T 5S+ 0 0 177 1,-0.2 -1,-0.4 2,-0.1 0, 0.0 -0.995 115.5 19.6-124.6 120.2 36.5 36.0 9.3 43 43 A P T 5S- 0 0 54 0, 0.0 2,-1.3 0, 0.0 -1,-0.2 0.819 106.2-119.2 -66.1 166.3 34.0 35.6 10.7 44 44 A P T 5 + 0 0 52 0, 0.0 92,-2.9 0, 0.0 2,-0.3 -0.639 46.5 178.9 -76.3 96.0 32.3 38.7 9.2 45 45 A L E < -DE 40 135B 30 -2,-1.3 -6,-2.6 -5,-1.1 -5,-0.7 -0.782 19.8-166.8-104.7 141.5 31.6 40.6 12.4 46 46 A V E -DE 38 134B 10 88,-2.7 88,-2.8 -2,-0.3 2,-0.4 -0.970 9.7-153.5-120.1 139.9 30.0 44.0 12.9 47 47 A A E -DE 37 133B 8 -10,-3.2 -10,-2.3 -2,-0.4 2,-0.4 -0.952 11.7-173.0-112.6 137.1 30.2 45.9 16.2 48 48 A V E -DE 36 132B 1 84,-2.3 84,-2.9 -2,-0.4 2,-0.8 -0.997 23.1-139.0-132.1 129.8 27.5 48.4 17.2 49 49 A G E - E 0 131B 12 -14,-2.5 2,-0.5 -2,-0.4 -14,-0.3 -0.822 32.7-172.9 -83.9 110.4 27.4 50.8 20.2 50 50 A L E - E 0 130B 6 80,-2.8 80,-2.8 -2,-0.8 4,-0.1 -0.930 27.9-113.4-119.3 121.6 23.7 50.5 21.3 51 51 A K E - E 0 129B 90 -2,-0.5 6,-0.4 78,-0.3 3,-0.3 -0.275 19.2-143.6 -56.1 126.5 22.2 52.7 24.1 52 52 A R S S+ 0 0 95 76,-2.8 2,-1.3 1,-0.3 -1,-0.1 0.855 95.7 59.7 -62.2 -37.5 21.3 50.4 27.0 53 53 A D S S+ 0 0 124 75,-0.5 2,-0.3 4,-0.1 -1,-0.3 -0.566 90.3 98.7 -93.8 62.5 18.1 52.5 27.7 54 54 A S S > S- 0 0 39 -2,-1.3 4,-2.0 -3,-0.3 5,-0.1 -0.994 76.9-125.4-148.2 154.7 16.5 51.9 24.3 55 55 A H H > S+ 0 0 85 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.904 112.2 58.3 -67.3 -39.2 13.9 49.6 22.8 56 56 A L H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.935 106.5 48.2 -53.0 -48.5 16.4 48.5 20.1 57 57 A H H > S+ 0 0 4 -6,-0.4 4,-2.8 2,-0.2 5,-0.3 0.935 109.1 52.9 -59.4 -45.2 18.7 47.3 22.9 58 58 A A H X S+ 0 0 39 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.935 114.5 41.5 -58.9 -45.1 16.0 45.4 24.6 59 59 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 6,-0.4 0.868 114.5 50.1 -70.4 -40.7 15.0 43.5 21.5 60 60 A V H X S+ 0 0 1 -4,-2.6 4,-2.3 -5,-0.2 5,-0.2 0.931 114.0 45.0 -66.9 -44.0 18.5 42.9 20.2 61 61 A E H < S+ 0 0 103 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.899 116.5 46.8 -65.7 -39.8 19.6 41.5 23.6 62 62 A R H < S+ 0 0 128 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.887 125.9 25.5 -69.5 -41.7 16.4 39.4 23.9 63 63 A T H < S- 0 0 31 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.666 89.7-135.8-100.4 -21.7 16.4 37.8 20.4 64 64 A G < + 0 0 19 -4,-2.3 56,-2.8 -5,-0.3 2,-0.4 0.710 68.5 112.0 72.3 20.4 20.1 37.9 19.5 65 65 A K E + F 0 119B 66 -6,-0.4 2,-0.3 -5,-0.2 -42,-0.3 -0.972 36.5 163.5-131.6 139.9 19.1 39.2 16.0 66 66 A L E - F 0 118B 1 52,-2.2 52,-2.8 -2,-0.4 2,-0.4 -0.988 21.3-150.4-150.2 157.4 19.6 42.5 14.2 67 67 A A E -CF 21 117B 0 -46,-2.0 -46,-2.5 -2,-0.3 2,-0.4 -0.967 12.6-165.8-124.8 148.2 19.5 44.1 10.8 68 68 A L E -CF 20 116B 7 48,-2.4 48,-2.0 -2,-0.4 2,-0.4 -1.000 2.0-169.8-136.6 130.7 21.5 47.1 9.7 69 69 A M E -CF 19 115B 1 -50,-2.4 -50,-2.4 -2,-0.4 2,-0.6 -0.975 19.9-130.1-121.1 139.7 21.0 49.2 6.5 70 70 A T E -CF 18 114B 32 44,-1.7 44,-0.7 -2,-0.4 -52,-0.2 -0.767 22.4-131.2 -86.6 125.0 23.3 51.9 5.2 71 71 A L - 0 0 0 -54,-1.8 77,-2.5 -2,-0.6 -54,-0.2 -0.499 22.3-123.2 -70.6 136.0 21.8 55.2 4.3 72 72 A A B > -H 147 0C 0 75,-0.3 3,-2.0 -2,-0.2 76,-0.1 -0.387 29.1-101.1 -70.0 160.6 22.6 56.7 0.9 73 73 A H T 3 S+ 0 0 94 73,-2.6 3,-0.3 1,-0.3 76,-0.1 0.750 122.4 47.9 -55.0 -29.5 24.2 60.1 0.5 74 74 A D T 3 S+ 0 0 107 72,-0.2 -1,-0.3 1,-0.2 3,-0.3 0.145 91.6 85.0-100.1 20.2 20.7 61.7 -0.4 75 75 A Q X> + 0 0 16 -3,-2.0 4,-1.8 1,-0.2 3,-0.7 0.011 38.1 122.4-116.9 31.5 18.8 60.2 2.5 76 76 A K H 3> S+ 0 0 85 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.870 76.9 60.1 -58.7 -33.3 19.4 62.6 5.4 77 77 A A H 3> S+ 0 0 63 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.859 104.0 49.0 -64.1 -35.8 15.6 62.9 5.6 78 78 A I H <> S+ 0 0 8 -3,-0.7 4,-0.6 2,-0.2 -1,-0.2 0.912 108.3 52.7 -69.4 -44.5 15.3 59.2 6.3 79 79 A A H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 -47,-0.2 0.928 106.9 54.1 -54.5 -44.9 17.9 59.3 9.0 80 80 A Q H >< S+ 0 0 99 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.859 100.4 61.1 -55.9 -40.1 16.0 62.1 10.6 81 81 A D H 3< S+ 0 0 48 -4,-1.3 3,-0.4 1,-0.3 -1,-0.3 0.657 100.7 54.2 -67.3 -16.5 12.8 60.0 10.7 82 82 A F T << S+ 0 0 4 -3,-1.5 -50,-1.9 -4,-0.6 -1,-0.3 0.188 84.6 78.8-111.7 21.5 14.5 57.3 12.9 83 83 A F S < S+ 0 0 110 -3,-1.5 -1,-0.2 -52,-0.2 -2,-0.1 0.420 91.2 67.7 -89.1 -8.0 15.6 59.6 15.7 84 84 A K S S- 0 0 112 -3,-0.4 3,-0.1 -4,-0.2 0, 0.0 -0.727 106.0 -73.3-106.8 163.6 12.0 59.4 16.9 85 85 A P - 0 0 113 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.150 57.4-101.7 -57.9 150.7 10.1 56.4 18.3 86 86 A T - 0 0 40 -58,-0.1 2,-0.5 -4,-0.1 -58,-0.2 -0.682 38.9-177.4 -82.9 118.2 9.1 53.8 15.8 87 87 A V - 0 0 82 -2,-0.6 7,-2.7 -3,-0.1 2,-0.5 -0.961 19.3-139.0-114.8 128.4 5.5 53.7 14.6 88 88 A R E -I 93 0D 161 -2,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.765 16.5-175.8 -88.3 124.0 4.3 51.1 12.2 89 89 A E E > -I 92 0D 92 3,-2.8 3,-1.2 -2,-0.5 2,-0.4 -0.801 61.8 -76.7-118.0 81.8 2.0 52.2 9.5 90 90 A G T 3 S- 0 0 42 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 -0.445 118.0 -3.1 62.1-115.5 1.1 49.0 7.7 91 91 A D T 3 S+ 0 0 97 -2,-0.4 7,-2.8 -3,-0.1 2,-0.3 0.143 126.2 79.5 -93.8 23.2 4.1 48.1 5.6 92 92 A R E < -IJ 89 97D 133 -3,-1.2 -3,-2.8 5,-0.3 2,-0.5 -0.924 62.6-151.8-125.6 149.3 6.0 51.3 6.6 93 93 A L E > S-IJ 88 96D 0 3,-2.3 3,-1.9 -2,-0.3 -5,-0.2 -0.997 87.6 -18.4-117.3 119.9 8.0 52.4 9.7 94 94 A N T 3 S- 0 0 9 -7,-2.7 -6,-0.1 -2,-0.5 -1,-0.1 0.863 134.4 -44.5 47.6 41.7 7.8 56.1 10.2 95 95 A G T 3 S+ 0 0 40 -8,-0.3 -1,-0.3 1,-0.2 -7,-0.1 0.339 117.7 110.0 93.9 -3.7 6.7 56.7 6.6 96 96 A H E < -J 93 0D 17 -3,-1.9 -3,-2.3 -15,-0.1 -1,-0.2 -0.900 67.3-122.0-118.7 120.6 9.3 54.3 5.0 97 97 A P E -J 92 0D 39 0, 0.0 13,-2.0 0, 0.0 14,-0.5 -0.237 31.7-173.3 -58.4 140.3 8.4 51.0 3.4 98 98 A F E -K 109 0E 33 -7,-2.8 11,-0.2 11,-0.3 0, 0.0 -0.909 14.1-159.2-129.5 161.4 9.9 47.8 4.8 99 99 A E E -K 108 0E 80 9,-2.1 9,-2.5 -2,-0.3 2,-0.2 -0.960 35.9 -96.6-129.4 152.3 10.1 44.1 3.9 100 100 A P E -K 107 0E 91 0, 0.0 6,-0.1 0, 0.0 5,-0.1 -0.477 40.8-114.9 -68.3 133.9 10.9 41.2 6.2 101 101 A S > - 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