==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLAVOPROTEIN 16-JUL-12 4B2J . COMPND 2 MOLECULE: DODECIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR H.STAUDT,M.HOESL,A.DREUW,S.SERDJUKOW,D.OESTERHELT,N.BUDISA, . 64 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 68.8 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 . 24 37.5 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 . 0 0.0 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 . 5 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 20.3 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 1 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 . 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A V 0 0 134 0, 0.0 62,-3.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 134.4 2.1 22.7 -13.4 2 3 A F E -A 62 0A 103 60,-0.2 2,-0.3 58,-0.0 60,-0.2 -0.851 360.0-163.3-104.6 151.1 4.4 21.3 -10.6 3 4 A K E -A 61 0A 113 58,-2.4 58,-2.7 -2,-0.3 2,-0.4 -0.967 7.5-148.6-127.4 154.9 7.1 18.7 -11.2 4 5 A K E -A 60 0A 91 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.946 4.1-159.3-121.1 142.5 8.8 16.6 -8.5 5 6 A V E -A 59 0A 43 54,-2.2 54,-2.8 -2,-0.4 2,-0.8 -0.954 20.5-131.1-117.6 148.3 12.3 15.2 -8.4 6 7 A L E +A 58 0A 91 -2,-0.4 2,-0.4 52,-0.2 52,-0.2 -0.808 37.3 168.4-106.1 107.4 13.1 12.2 -6.1 7 8 A L E -A 57 0A 48 50,-2.5 50,-3.0 -2,-0.8 2,-0.6 -0.909 29.1-149.2-124.2 145.4 16.2 12.9 -3.9 8 9 A T E -A 56 0A 68 -2,-0.4 48,-0.3 48,-0.3 2,-0.2 -0.940 17.9-164.2-110.6 117.7 17.8 11.2 -0.9 9 10 A G E -A 55 0A 1 46,-2.8 46,-2.0 -2,-0.6 2,-0.3 -0.555 6.4-152.5 -94.6 162.4 19.6 13.6 1.5 10 11 A T E +A 54 0A 62 44,-0.2 2,-0.3 -2,-0.2 44,-0.2 -0.954 16.6 171.0-133.5 157.6 22.1 12.3 4.1 11 12 A S E -A 53 0A 17 42,-1.9 42,-2.9 -2,-0.3 7,-0.1 -0.970 34.1-143.3-159.2 144.4 23.2 13.6 7.6 12 13 A E S S+ 0 0 98 -2,-0.3 39,-0.1 40,-0.2 3,-0.1 0.400 100.5 50.3 -84.7 4.6 25.2 12.3 10.4 13 14 A E S S- 0 0 143 1,-0.3 2,-0.3 40,-0.1 -1,-0.1 0.841 112.1 -25.3-108.0 -50.7 22.9 14.1 12.8 14 15 A S > - 0 0 48 39,-0.1 4,-1.7 1,-0.1 -1,-0.3 -0.993 50.0-105.2-162.5 163.0 19.1 13.4 12.2 15 16 A F H > S+ 0 0 81 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.851 119.6 54.5 -64.9 -35.6 16.4 12.5 9.8 16 17 A T H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 108.9 47.2 -62.3 -44.4 15.2 16.2 9.7 17 18 A A H > S+ 0 0 31 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.836 109.4 54.3 -68.1 -32.7 18.8 17.4 8.7 18 19 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.930 107.8 50.3 -67.7 -36.8 19.0 14.6 6.0 19 20 A A H X S+ 0 0 16 -4,-2.0 4,-2.4 1,-0.2 3,-0.3 0.953 110.9 49.7 -61.4 -42.4 15.6 16.0 4.5 20 21 A D H X S+ 0 0 84 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.849 103.6 59.7 -65.6 -33.8 17.2 19.5 4.6 21 22 A D H X S+ 0 0 71 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.907 109.5 42.4 -61.9 -42.6 20.3 18.2 2.8 22 23 A A H X S+ 0 0 3 -4,-1.6 4,-2.3 -3,-0.3 -2,-0.2 0.932 115.6 49.4 -68.9 -40.1 18.1 17.0 -0.2 23 24 A I H X S+ 0 0 39 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.930 107.8 53.5 -67.9 -41.9 16.1 20.2 -0.2 24 25 A D H X S+ 0 0 84 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.918 110.1 49.6 -55.8 -42.3 19.2 22.4 -0.1 25 26 A R H X S+ 0 0 139 -4,-1.7 4,-0.8 2,-0.2 3,-0.3 0.916 109.6 49.1 -64.4 -44.4 20.5 20.6 -3.2 26 27 A A H >X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 3,-1.1 0.931 110.3 51.8 -59.7 -43.0 17.2 21.0 -5.0 27 28 A E H 3< S+ 0 0 112 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.717 101.5 63.2 -71.1 -21.5 17.3 24.8 -4.2 28 29 A D H 3< S+ 0 0 127 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.780 121.3 19.0 -69.4 -28.7 20.9 25.1 -5.6 29 30 A T H << S+ 0 0 88 -3,-1.1 2,-0.4 -4,-0.8 -2,-0.2 0.569 116.8 62.9-122.8 -5.9 19.8 24.2 -9.0 30 31 A L < - 0 0 45 -4,-2.4 3,-0.4 -5,-0.1 2,-0.3 -0.899 63.4-140.2-122.7 150.5 16.0 24.7 -9.3 31 32 A D S S+ 0 0 126 -2,-0.4 33,-0.1 1,-0.2 -3,-0.0 -0.771 79.5 23.6-101.9 157.2 13.8 27.7 -9.0 32 33 A N + 0 0 81 -2,-0.3 30,-2.3 1,-0.2 2,-0.3 0.806 68.6 179.9 61.8 43.7 10.5 27.9 -7.3 33 34 A V E +B 61 0A 34 -3,-0.4 28,-0.3 28,-0.2 -1,-0.2 -0.521 5.4 172.0 -66.1 125.9 10.9 24.9 -4.9 34 35 A V E - 0 0 63 26,-3.0 2,-0.3 1,-0.4 27,-0.2 0.741 49.0 -14.7-120.0 -24.9 7.6 24.9 -3.0 35 36 A X E -B 60 0A 108 25,-1.5 25,-2.9 2,-0.0 -1,-0.4 -0.978 48.5-142.8-169.6 165.3 7.3 21.7 -0.8 36 37 A A E -B 59 0A 37 -2,-0.3 2,-0.5 23,-0.2 23,-0.2 -0.991 9.1-151.9-134.9 149.4 8.9 18.3 -0.2 37 38 A E E -B 58 0A 80 21,-2.5 21,-2.4 -2,-0.3 2,-0.4 -0.972 19.9-130.2-118.4 127.4 7.1 15.0 0.8 38 39 A V E +B 57 0A 83 -2,-0.5 19,-0.3 19,-0.2 3,-0.1 -0.621 32.2 168.8 -76.3 130.4 9.0 12.4 2.8 39 40 A V E + 0 0 68 17,-2.8 2,-0.3 1,-0.4 18,-0.2 0.498 61.4 2.0-116.1 -15.3 8.7 9.0 1.2 40 41 A D E -B 56 0A 106 16,-1.4 16,-3.3 2,-0.0 -1,-0.4 -0.929 53.8-164.3-165.8 155.1 11.3 6.8 3.0 41 42 A Q E +B 55 0A 107 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.989 20.5 150.4-144.9 148.3 13.9 7.0 5.8 42 43 A G E -B 54 0A 30 12,-2.5 12,-3.0 -2,-0.3 2,-0.4 -0.932 34.6-119.2-163.1-177.2 16.8 4.7 6.7 43 44 A V E -B 53 0A 60 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.998 13.2-144.2-142.0 125.8 20.3 4.6 8.2 44 45 A E E +B 52 0A 65 8,-2.9 8,-2.4 -2,-0.4 -2,-0.0 -0.800 34.5 154.2 -89.7 131.6 23.5 3.5 6.6 45 46 A I > + 0 0 115 -2,-0.4 3,-1.0 6,-0.2 -1,-0.2 0.693 61.1 47.3-126.1 -54.1 25.7 1.6 9.2 46 47 A G T 3 S+ 0 0 85 1,-0.2 -2,-0.0 5,-0.0 5,-0.0 0.192 110.4 47.7 -92.1 13.4 28.1 -0.9 7.5 47 48 A A T 3 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.338 107.3 58.1-124.2 4.9 29.6 1.3 4.7 48 49 A V S < S- 0 0 52 -3,-1.0 3,-0.1 1,-0.1 4,-0.0 -0.788 72.2-129.5-129.0 164.8 30.5 4.4 6.8 49 50 A E S S+ 0 0 209 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.827 102.3 32.0 -83.8 -34.9 32.6 5.4 9.9 50 51 A E S S- 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -6,-0.1 -0.949 103.9 -96.2-114.9 145.7 29.7 7.2 11.5 51 52 A R - 0 0 156 -2,-0.4 2,-0.5 -39,-0.1 -6,-0.2 -0.342 40.9-148.9 -50.8 140.2 25.9 6.1 11.1 52 53 A T E - B 0 44A 12 -8,-2.4 -8,-2.9 -42,-0.0 2,-0.2 -0.963 0.7-144.2-121.2 122.9 24.4 8.2 8.3 53 54 A Y E -AB 11 43A 58 -42,-2.9 -42,-1.9 -2,-0.5 2,-0.4 -0.547 17.6-162.2 -81.2 141.3 20.7 9.1 8.5 54 55 A Q E -AB 10 42A 63 -12,-3.0 -12,-2.5 -2,-0.2 2,-0.4 -0.979 10.5-173.6-131.1 136.4 19.0 9.2 5.0 55 56 A T E -AB 9 41A 1 -46,-2.0 -46,-2.8 -2,-0.4 2,-0.5 -0.987 11.4-154.1-132.4 117.8 15.7 10.8 4.2 56 57 A E E +AB 8 40A 47 -16,-3.3 -17,-2.8 -2,-0.4 -16,-1.4 -0.835 20.9 178.1 -96.8 132.2 14.3 10.3 0.8 57 58 A V E -AB 7 38A 1 -50,-3.0 -50,-2.5 -2,-0.5 2,-0.7 -0.983 34.6-132.6-131.3 145.2 11.9 13.2 -0.4 58 59 A Q E -AB 6 37A 55 -21,-2.4 -21,-2.5 -2,-0.4 2,-0.6 -0.880 32.2-155.0 -86.9 121.7 9.8 14.1 -3.5 59 60 A V E -AB 5 36A 0 -54,-2.8 -54,-2.2 -2,-0.7 2,-0.4 -0.906 6.7-154.0-104.9 116.3 10.8 17.8 -3.9 60 61 A A E +AB 4 35A 0 -25,-2.9 -26,-3.0 -2,-0.6 -25,-1.5 -0.776 15.2 178.2 -93.8 138.8 8.1 19.7 -5.8 61 62 A F E -AB 3 33A 15 -58,-2.7 -58,-2.4 -2,-0.4 2,-0.4 -0.976 31.0-114.3-138.4 145.3 8.8 22.9 -7.8 62 63 A E E -A 2 0A 92 -30,-2.3 -60,-0.2 -2,-0.3 2,-0.1 -0.707 36.8-118.1 -82.0 130.9 6.5 25.1 -9.9 63 64 A L 0 0 67 -62,-3.3 -31,-0.0 -2,-0.4 -1,-0.0 -0.467 360.0 360.0 -81.2 152.8 7.3 25.1 -13.6 64 65 A D 0 0 195 -2,-0.1 -1,-0.1 -33,-0.1 -32,-0.0 0.989 360.0 360.0 51.1 360.0 8.4 28.4 -15.5