==== 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 FLAVOPROTEIN 01-JUL-08 2VXA . COMPND 2 MOLECULE: DODECIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALORHODOSPIRA HALOPHILA; . AUTHOR M.GRININGER,H.STAUDT,P.JOHANSSON,J.WACHTVEITL,D.OESTERHELT . 792 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 693 87.5 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 . 442 55.8 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 . 12 1.5 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 . 95 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 0 0 12 0 0 1 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 . 0 0 13 11 0 0 0 0 0 1 11 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 D 0 0 72 0, 0.0 145,-0.5 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0-154.2 -11.5 -41.5 -6.0 2 4 A H - 0 0 97 143,-0.1 144,-1.3 1,-0.1 2,-0.4 0.411 360.0-153.0 -38.8 154.4 -13.8 -38.4 -5.2 3 5 A V E -AB 65 145A 11 62,-0.6 62,-2.5 142,-0.2 2,-0.3 -0.995 9.0-161.8-132.4 136.3 -13.2 -35.3 -3.0 4 6 A Y E -AB 64 144A 38 140,-3.0 140,-2.7 -2,-0.4 2,-0.4 -0.876 8.6-147.6-117.6 147.6 -15.8 -33.2 -1.1 5 7 A K E -AB 63 143A 45 58,-2.6 58,-2.2 -2,-0.3 2,-0.5 -0.904 10.4-154.5-107.1 143.6 -15.8 -29.7 0.3 6 8 A I E -AB 62 142A 15 136,-2.9 136,-0.6 -2,-0.4 2,-0.3 -0.975 12.4-173.3-117.7 117.8 -17.8 -28.9 3.4 7 9 A V E -A 61 0A 9 54,-2.2 54,-2.9 -2,-0.5 2,-0.6 -0.871 18.8-134.0-107.5 151.8 -18.9 -25.3 3.9 8 10 A E E +AC 60 73A 22 65,-0.6 65,-2.7 -2,-0.3 2,-0.3 -0.911 32.3 165.8-106.8 120.1 -20.6 -23.9 7.0 9 11 A L E -AC 59 72A 4 50,-2.5 50,-3.2 -2,-0.6 2,-0.5 -0.971 26.5-146.3-131.2 149.9 -23.6 -21.7 6.3 10 12 A T E -AC 58 71A 5 61,-2.6 61,-3.0 -2,-0.3 48,-0.3 -0.959 16.1-156.0-122.3 116.8 -26.3 -20.4 8.5 11 13 A G E -AC 57 70A 0 46,-2.2 46,-2.2 -2,-0.5 2,-0.3 -0.624 6.4-149.2 -90.3 151.0 -29.8 -19.9 7.0 12 14 A S E +A 56 0A 1 57,-0.7 44,-0.2 56,-0.3 11,-0.1 -0.854 21.2 160.2-119.8 149.4 -32.4 -17.5 8.4 13 15 A S E -A 55 0A 2 42,-1.2 42,-3.2 -2,-0.3 3,-0.2 -0.865 37.7-145.2-164.5 137.3 -36.2 -17.6 8.3 14 16 A P S S+ 0 0 74 0, 0.0 40,-0.1 0, 0.0 42,-0.1 0.583 101.2 57.5 -73.9 -5.1 -39.0 -15.9 10.3 15 17 A N S S- 0 0 123 1,-0.3 2,-0.3 40,-0.1 3,-0.1 0.740 108.2 -87.1-100.1 -28.5 -41.0 -19.2 10.0 16 18 A G > - 0 0 0 -3,-0.2 4,-2.2 1,-0.2 -1,-0.3 -0.929 51.2 -44.2 146.9-168.5 -38.8 -22.0 11.5 17 19 A I H > S+ 0 0 8 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.936 120.5 44.9 -71.7 -53.3 -36.2 -24.6 11.2 18 20 A E H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.873 115.2 50.0 -59.0 -36.4 -36.9 -26.4 7.9 19 21 A E H > S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.927 108.1 54.0 -69.9 -43.8 -37.4 -23.1 6.1 20 22 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.919 111.7 43.8 -56.8 -45.1 -34.1 -21.7 7.5 21 23 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.918 110.5 54.9 -72.1 -38.6 -32.1 -24.7 6.2 22 24 A N H X S+ 0 0 59 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.922 107.0 51.1 -55.0 -45.8 -33.8 -24.7 2.9 23 25 A N H X S+ 0 0 58 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.913 110.3 49.1 -54.5 -44.4 -32.9 -21.0 2.4 24 26 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.891 113.7 46.5 -63.6 -39.4 -29.3 -21.9 3.2 25 27 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.889 110.2 52.5 -75.3 -37.7 -29.4 -24.7 0.8 26 28 A A H X S+ 0 0 48 -4,-3.0 4,-1.6 2,-0.2 3,-0.5 0.980 110.2 47.9 -55.7 -57.9 -31.0 -22.6 -1.9 27 29 A R H X S+ 0 0 51 -4,-2.8 4,-0.8 1,-0.3 -2,-0.2 0.796 112.3 50.3 -59.0 -27.8 -28.3 -19.9 -1.6 28 30 A A H X S+ 0 0 1 -4,-1.5 4,-3.4 -5,-0.2 -1,-0.3 0.862 106.2 55.7 -73.6 -37.5 -25.6 -22.6 -1.8 29 31 A G H < S+ 0 0 31 -4,-2.0 -2,-0.2 -3,-0.5 -1,-0.2 0.769 100.9 58.9 -67.7 -30.1 -27.1 -24.1 -4.9 30 32 A E H < S+ 0 0 141 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.891 122.4 22.5 -60.4 -43.3 -27.0 -20.8 -6.8 31 33 A T H < S+ 0 0 73 -4,-0.8 -2,-0.2 -3,-0.2 2,-0.2 0.769 121.3 51.6-101.3 -32.3 -23.2 -20.6 -6.3 32 34 A L < - 0 0 44 -4,-3.4 2,-0.3 -5,-0.1 3,-0.2 -0.594 67.8-141.7-106.9 170.2 -22.0 -24.2 -5.8 33 35 A R + 0 0 147 31,-0.2 -3,-0.1 -2,-0.2 285,-0.0 -0.969 69.0 25.9-137.8 146.6 -22.6 -27.4 -7.7 34 36 A H - 0 0 84 -2,-0.3 30,-2.1 1,-0.2 2,-0.4 0.931 66.5-169.4 66.2 48.8 -23.2 -31.1 -6.8 35 37 A L E +D 63 0A 9 282,-0.2 28,-0.2 28,-0.2 -1,-0.2 -0.589 13.2 168.8 -65.4 121.8 -24.6 -30.5 -3.3 36 38 A R E - 0 0 103 26,-2.9 279,-2.6 -2,-0.4 2,-0.3 0.829 49.7 -11.0-108.0 -53.6 -24.8 -34.0 -1.8 37 39 A W E -DE 62 314A 61 25,-1.2 25,-3.1 277,-0.2 -1,-0.3 -0.929 50.5-156.8-144.6 169.6 -25.6 -33.9 2.0 38 40 A F E -DE 61 313A 0 275,-1.9 275,-1.6 -2,-0.3 2,-0.3 -0.946 3.2-156.1-142.6 166.3 -25.9 -31.6 4.9 39 41 A E E -DE 60 312A 55 21,-1.8 21,-3.2 -2,-0.3 2,-0.5 -0.987 21.8-126.8-144.2 133.5 -25.7 -31.7 8.7 40 42 A V E +D 59 0A 22 271,-3.0 271,-0.4 -2,-0.3 19,-0.3 -0.690 27.3 176.0 -79.1 124.6 -27.3 -29.3 11.2 41 43 A V E - 0 0 65 17,-2.3 2,-0.3 -2,-0.5 18,-0.2 0.803 60.7 -4.7 -94.9 -25.2 -24.7 -28.1 13.6 42 44 A D E -D 58 0A 34 16,-1.5 16,-2.3 2,-0.0 2,-0.5 -0.992 49.6-146.2-173.8 136.6 -26.6 -25.6 15.6 43 45 A T E +D 57 0A 18 734,-0.4 734,-2.9 -2,-0.3 14,-0.2 -0.982 33.1 151.1-125.0 121.2 -30.0 -23.9 16.1 44 46 A R E -DF 56 776A 34 12,-3.3 12,-3.1 -2,-0.5 2,-0.3 -0.704 16.6-170.0-131.5-177.8 -30.2 -20.3 17.3 45 47 A G E -DF 55 775A 0 730,-1.7 730,-2.0 10,-0.2 2,-0.4 -0.973 24.3-110.9-172.8 164.3 -32.5 -17.3 17.0 46 48 A H E -DF 54 774A 62 8,-1.8 7,-2.0 -2,-0.3 8,-1.3 -0.815 26.9-146.1-101.2 138.5 -33.2 -13.6 17.5 47 49 A I E -D 52 0A 2 726,-2.5 2,-0.4 -2,-0.4 5,-0.3 -0.942 16.8-178.9-110.8 122.7 -35.9 -12.5 20.0 48 50 A E E > S-D 51 0A 107 3,-3.3 3,-1.5 -2,-0.5 2,-0.4 -0.984 70.2 -17.9-127.1 130.2 -37.9 -9.3 19.2 49 51 A G T 3 S- 0 0 63 -2,-0.4 723,-0.2 1,-0.2 4,-0.1 -0.654 128.9 -45.6 62.3-132.1 -40.6 -8.1 21.6 50 52 A G T 3 S+ 0 0 36 -2,-0.4 2,-0.3 721,-0.1 716,-0.2 -0.124 124.5 86.2-115.6 33.2 -41.0 -11.3 23.6 51 53 A R E < S- D 0 48A 141 -3,-1.5 -3,-3.3 721,-0.1 2,-0.5 -0.955 84.6-100.8-136.2 153.1 -41.1 -13.5 20.4 52 54 A V E + D 0 47A 5 -2,-0.3 -5,-0.2 -5,-0.3 3,-0.1 -0.598 36.9 169.9 -70.3 118.1 -38.8 -15.2 18.0 53 55 A N E + 0 0 27 -7,-2.0 2,-0.4 -2,-0.5 -1,-0.2 0.631 67.1 32.4-103.9 -17.9 -38.4 -13.1 14.8 54 56 A H E - D 0 46A 61 -8,-1.3 -8,-1.8 -40,-0.1 2,-0.5 -0.954 63.0-154.4-138.3 124.4 -35.5 -15.0 13.1 55 57 A W E -AD 13 45A 8 -42,-3.2 -42,-1.2 -2,-0.4 2,-0.6 -0.845 16.4-164.4 -87.9 126.6 -34.7 -18.7 13.2 56 58 A Q E +AD 12 44A 44 -12,-3.1 -12,-3.3 -2,-0.5 2,-0.6 -0.909 10.0 178.2-119.1 103.7 -31.0 -19.2 12.6 57 59 A V E -AD 11 43A 0 -46,-2.2 -46,-2.2 -2,-0.6 2,-0.4 -0.927 14.7-154.1-108.7 116.9 -29.9 -22.7 11.7 58 60 A T E +AD 10 42A 6 -16,-2.3 -17,-2.3 -2,-0.6 -16,-1.5 -0.760 21.6 179.8 -93.6 141.0 -26.3 -23.2 11.0 59 61 A V E -AD 9 40A 0 -50,-3.2 -50,-2.5 -2,-0.4 2,-0.5 -0.933 28.8-131.9-143.4 149.2 -25.6 -26.1 8.7 60 62 A K E -AD 8 39A 30 -21,-3.2 -21,-1.8 -2,-0.3 2,-0.5 -0.948 24.0-161.9-108.7 127.5 -22.7 -28.0 7.1 61 63 A V E -AD 7 38A 0 -54,-2.9 -54,-2.2 -2,-0.5 2,-0.4 -0.946 2.0-156.3-115.5 126.7 -23.1 -28.7 3.4 62 64 A G E +AD 6 37A 0 -25,-3.1 -26,-2.9 -2,-0.5 -25,-1.2 -0.843 18.5 170.4-101.1 134.6 -21.1 -31.3 1.6 63 65 A F E -AD 5 35A 10 -58,-2.2 -58,-2.6 -2,-0.4 2,-0.2 -0.998 35.0-103.1-144.9 148.0 -20.5 -31.0 -2.1 64 66 A T E -A 4 0A 18 -30,-2.1 2,-0.5 -2,-0.3 -60,-0.2 -0.494 25.3-148.6 -72.8 131.4 -18.4 -32.7 -4.8 65 67 A L E A 3 0A 37 -62,-2.5 -62,-0.6 -2,-0.2 -31,-0.0 -0.880 360.0 360.0 -90.8 129.1 -15.4 -30.9 -6.1 66 68 A E 0 0 140 -2,-0.5 -1,-0.1 -64,-0.1 -32,-0.0 0.487 360.0 360.0-117.2 360.0 -14.7 -31.8 -9.7 67 !* 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 68 3 B D 0 0 84 0, 0.0 -56,-0.3 0, 0.0 -14,-0.0 0.000 360.0 360.0 360.0-142.6 -34.3 -13.6 4.6 69 4 B H - 0 0 107 -58,-0.1 -57,-0.7 1,-0.1 2,-0.4 -0.088 360.0-161.4 -56.7 141.4 -30.5 -13.2 5.2 70 5 B V E -CG 11 132A 7 62,-0.7 62,-2.6 -59,-0.2 2,-0.3 -0.985 12.1-157.4-118.8 135.8 -28.2 -16.3 4.7 71 6 B Y E -CG 10 131A 33 -61,-3.0 -61,-2.6 -2,-0.4 2,-0.4 -0.829 9.4-145.9-118.5 152.1 -24.7 -16.2 6.3 72 7 B K E -CG 9 130A 43 58,-2.6 58,-2.3 -2,-0.3 2,-0.5 -0.936 10.6-153.5-114.0 140.5 -21.4 -17.9 5.6 73 8 B I E -CG 8 129A 17 -65,-2.7 -65,-0.6 -2,-0.4 2,-0.4 -0.974 12.9-172.6-113.8 121.5 -19.1 -18.9 8.4 74 9 B V E - G 0 128A 11 54,-2.2 54,-2.7 -2,-0.5 2,-0.5 -0.911 19.4-132.0-113.6 149.0 -15.4 -19.2 7.6 75 10 B E E +HG 140 127A 22 65,-0.6 65,-2.5 -2,-0.4 2,-0.3 -0.851 32.6 168.2-102.0 123.6 -12.7 -20.4 9.9 76 11 B L E -HG 139 126A 4 50,-2.8 50,-3.5 -2,-0.5 2,-0.5 -0.960 24.9-148.8-130.8 151.3 -9.6 -18.3 10.1 77 12 B T E -HG 138 125A 4 61,-2.6 61,-2.6 -2,-0.3 48,-0.3 -0.959 15.5-158.6-125.9 117.4 -6.7 -18.3 12.4 78 13 B G E -HG 137 124A 0 46,-2.1 46,-2.3 -2,-0.5 2,-0.3 -0.624 5.9-149.4 -93.2 151.7 -5.0 -15.0 13.2 79 14 B S E + G 0 123A 0 57,-1.0 44,-0.2 56,-0.3 11,-0.1 -0.883 20.1 162.4-122.9 145.9 -1.4 -14.7 14.4 80 15 B S E - G 0 122A 2 42,-1.6 42,-3.2 -2,-0.3 7,-0.1 -0.916 36.7-146.5-161.8 138.3 0.3 -12.1 16.6 81 16 B P S S+ 0 0 79 0, 0.0 40,-0.1 0, 0.0 -1,-0.1 0.556 101.7 55.9 -76.2 -5.6 3.5 -11.8 18.7 82 17 B N S S- 0 0 123 1,-0.3 2,-0.3 40,-0.1 3,-0.1 0.862 108.8 -83.0 -97.3 -41.3 1.6 -9.7 21.1 83 18 B G > - 0 0 0 39,-0.1 4,-2.5 1,-0.1 -1,-0.3 -0.986 51.0 -48.2 160.6-166.7 -1.5 -11.6 22.3 84 19 B I H > S+ 0 0 8 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.930 121.4 44.8 -69.9 -51.8 -5.1 -12.9 21.9 85 20 B E H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 115.0 50.3 -62.0 -36.4 -7.0 -9.7 21.0 86 21 B E H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 108.5 53.0 -67.4 -45.0 -4.3 -8.7 18.5 87 22 B A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.906 111.5 45.0 -53.8 -45.1 -4.4 -12.1 16.9 88 23 B V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.904 110.2 54.4 -74.5 -33.5 -8.1 -12.0 16.4 89 24 B N H X S+ 0 0 57 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.880 106.3 52.2 -61.5 -40.4 -8.0 -8.5 15.0 90 25 B N H X S+ 0 0 60 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.908 110.4 48.7 -62.8 -41.0 -5.4 -9.5 12.4 91 26 B A H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.911 114.2 45.3 -64.4 -42.0 -7.7 -12.3 11.3 92 27 B I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.884 110.9 53.5 -71.7 -38.4 -10.8 -10.0 11.1 93 28 B A H X S+ 0 0 48 -4,-3.1 4,-1.5 2,-0.2 3,-0.3 0.973 110.6 46.6 -54.5 -54.4 -8.7 -7.3 9.3 94 29 B R H X S+ 0 0 49 -4,-2.4 4,-0.9 1,-0.3 -2,-0.2 0.783 112.9 49.9 -63.7 -27.0 -7.6 -9.8 6.6 95 30 B A H X S+ 0 0 2 -4,-1.4 4,-3.3 -5,-0.2 -1,-0.3 0.851 106.3 56.5 -74.7 -35.3 -11.2 -11.1 6.3 96 31 B G H < S+ 0 0 32 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.790 100.7 58.0 -67.9 -32.0 -12.5 -7.5 5.9 97 32 B E H < S+ 0 0 146 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.908 122.4 23.1 -59.8 -44.5 -10.2 -6.9 2.9 98 33 B T H < S+ 0 0 71 -4,-0.9 -2,-0.2 -3,-0.1 2,-0.2 0.748 120.5 50.6-101.2 -31.2 -11.6 -9.8 0.9 99 34 B L < - 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