==== 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 09-FEB-04 1SAU . COMPND 2 MOLECULE: SULFITE REDUCTASE, DESULFOVIRIDIN-TYPE SUBUNIT GA . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR G.J.MANDER,M.S.WEISS,R.HEDDERICH,J.KAHNT,U.ERMLER,E.WARKENTI . 114 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 67.5 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 . 7 6.1 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 . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 9 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 5.3 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 2 0 0 1 1 0 0 1 0 0 0 0 0 1 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 . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 74 0, 0.0 11,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 171.0 25.7 37.6 -10.8 2 3 A E E -A 11 0A 99 9,-0.2 2,-0.4 16,-0.0 9,-0.2 -0.880 360.0-166.2-118.3 151.0 26.8 34.6 -12.9 3 4 A L E -A 10 0A 15 7,-2.3 7,-2.8 -2,-0.3 2,-0.6 -0.973 15.7-152.7-132.7 116.2 27.4 30.9 -12.2 4 5 A E E +A 9 0A 108 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.821 21.5 168.8 -96.3 122.6 29.2 29.0 -14.9 5 6 A V E > -A 8 0A 13 3,-2.3 3,-2.2 -2,-0.6 23,-0.1 -0.984 67.7 -18.3-135.1 121.8 28.4 25.3 -15.0 6 7 A K T 3 S- 0 0 130 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.861 129.6 -48.8 49.8 43.6 29.3 22.9 -17.9 7 8 A G T 3 S+ 0 0 56 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.371 112.8 118.8 87.0 -9.6 29.9 25.9 -20.2 8 9 A K E < -A 5 0A 104 -3,-2.2 -3,-2.3 15,-0.1 2,-1.0 -0.836 57.9-143.7 -97.6 132.2 26.6 27.6 -19.4 9 10 A K E -A 4 0A 127 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.770 26.8-166.0 -93.4 99.1 26.6 31.1 -17.9 10 11 A L E -A 3 0A 6 -7,-2.8 -7,-2.3 -2,-1.0 2,-0.4 -0.642 16.9-120.8 -94.9 141.9 23.6 31.0 -15.6 11 12 A R E -A 2 0A 157 -2,-0.3 8,-2.5 -9,-0.2 9,-1.1 -0.668 28.8-175.6 -84.7 128.9 22.1 34.1 -14.0 12 13 A L B -B 18 0B 2 -11,-2.9 6,-0.2 -2,-0.4 2,-0.1 -0.875 21.7-126.3-110.6 154.0 21.9 34.4 -10.3 13 14 A D > - 0 0 18 4,-2.3 3,-1.9 -2,-0.3 -1,-0.0 -0.301 42.7 -90.5 -82.6 179.5 20.3 37.1 -8.2 14 15 A E T 3 S+ 0 0 170 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.524 128.6 56.3 -76.2 -3.5 22.2 39.0 -5.5 15 16 A D T 3 S- 0 0 92 2,-0.1 -1,-0.3 88,-0.0 88,-0.1 0.339 122.7-105.2 -99.3 -0.6 21.2 36.4 -2.9 16 17 A G S < S+ 0 0 0 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.491 70.3 145.4 93.8 4.8 22.6 33.6 -5.0 17 18 A F - 0 0 3 91,-0.2 -4,-2.3 1,-0.1 2,-0.7 -0.584 55.3-111.4 -83.3 141.6 19.4 32.1 -6.4 18 19 A L B -B 12 0B 0 89,-0.5 3,-0.3 85,-0.4 -6,-0.2 -0.548 29.3-177.6 -73.1 109.2 19.2 30.7 -9.9 19 20 A Q S S+ 0 0 36 -8,-2.5 2,-1.7 -2,-0.7 3,-0.2 0.857 84.5 62.1 -75.0 -35.4 17.0 32.9 -12.1 20 21 A D S > S+ 0 0 47 -9,-1.1 3,-2.4 1,-0.2 -1,-0.2 -0.427 71.8 159.8 -80.6 55.9 17.5 30.5 -15.0 21 22 A W G > + 0 0 95 -2,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.773 61.9 66.1 -60.3 -28.1 15.8 27.9 -12.8 22 23 A E G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.596 93.2 63.2 -68.8 -12.4 14.9 25.7 -15.8 23 24 A E G < S+ 0 0 61 -3,-2.4 -1,-0.3 83,-0.1 -2,-0.2 0.403 77.8 123.7 -89.5 -1.0 18.7 25.1 -16.3 24 25 A W < + 0 0 44 -3,-1.6 2,-0.3 82,-0.2 81,-0.0 -0.317 25.8 148.3 -65.8 146.4 19.1 23.3 -12.9 25 26 A D > - 0 0 52 -2,-0.0 4,-2.5 0, 0.0 5,-0.2 -0.912 63.5 -79.7-156.6-178.3 20.5 19.8 -12.7 26 27 A E H > S+ 0 0 119 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.819 128.1 52.0 -64.4 -30.0 22.5 17.9 -10.2 27 28 A E H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.857 109.0 50.3 -72.8 -35.9 25.8 19.5 -11.3 28 29 A V H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.928 108.0 54.1 -63.1 -41.1 24.3 22.9 -10.9 29 30 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.910 107.8 50.1 -56.9 -45.5 23.2 21.9 -7.4 30 31 A E H X S+ 0 0 76 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.932 110.1 49.7 -59.2 -44.1 26.7 20.9 -6.6 31 32 A A H < S+ 0 0 28 -4,-2.1 -2,-0.2 1,-0.2 3,-0.2 0.912 112.0 48.2 -60.3 -43.8 28.0 24.3 -7.9 32 33 A L H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.914 108.8 54.0 -63.8 -41.4 25.4 26.2 -5.8 33 34 A A H 3< S+ 0 0 1 -4,-2.5 10,-2.0 1,-0.3 -1,-0.2 0.803 114.4 41.3 -63.3 -29.4 26.3 24.1 -2.7 34 35 A K T 3< S+ 0 0 84 -4,-1.5 2,-1.5 8,-0.2 -1,-0.3 0.261 81.8 122.0 -99.7 6.7 30.0 25.1 -3.1 35 36 A D X - 0 0 14 -3,-1.4 3,-2.1 1,-0.2 4,-0.4 -0.525 36.7-177.7 -82.8 91.1 29.3 28.8 -4.0 36 37 A T T 3 S+ 0 0 94 -2,-1.5 -1,-0.2 1,-0.3 -4,-0.0 0.584 72.9 76.6 -70.8 -6.6 31.2 30.6 -1.3 37 38 A R T 3 S+ 0 0 132 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.746 109.6 29.1 -65.5 -23.4 30.1 34.0 -2.7 38 39 A F S < S+ 0 0 28 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.345 126.4 36.3-123.6 4.0 26.8 33.2 -1.0 39 40 A S - 0 0 5 -4,-0.4 -1,-0.3 -5,-0.1 61,-0.0 -0.943 51.6-154.6-156.4 137.0 27.7 31.0 1.9 40 41 A P S S+ 0 0 115 0, 0.0 -4,-0.1 0, 0.0 -1,-0.0 0.426 96.5 52.1 -88.4 1.1 30.6 30.9 4.4 41 42 A Q S S- 0 0 109 2,-0.0 54,-0.1 0, 0.0 -5,-0.0 -0.648 80.0-159.6-135.8 75.3 30.0 27.2 5.0 42 43 A P - 0 0 57 0, 0.0 2,-0.4 0, 0.0 -8,-0.2 -0.254 20.4-126.7 -55.5 151.7 29.9 25.4 1.7 43 44 A I - 0 0 10 -10,-2.0 2,-0.5 -13,-0.1 49,-0.0 -0.816 10.4-141.2-112.1 142.5 28.1 22.0 1.9 44 45 A E - 0 0 148 -2,-0.4 2,-1.3 48,-0.1 5,-0.1 -0.825 31.2-132.6 -89.3 125.7 28.8 18.4 1.0 45 46 A L - 0 0 17 -2,-0.5 2,-0.1 4,-0.1 -15,-0.0 -0.674 32.0-178.1 -87.6 93.7 25.6 17.0 -0.4 46 47 A T > - 0 0 56 -2,-1.3 4,-2.5 46,-0.1 5,-0.2 -0.245 48.2 -88.8 -73.8 172.9 25.1 13.7 1.4 47 48 A E H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.869 130.6 54.7 -53.2 -37.4 22.2 11.3 0.8 48 49 A E H > S+ 0 0 40 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.934 108.0 47.5 -65.5 -45.3 20.2 13.2 3.5 49 50 A H H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.925 110.6 52.7 -57.6 -46.2 20.8 16.5 1.7 50 51 A W H X S+ 0 0 62 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.854 104.2 55.7 -66.7 -33.4 19.8 15.0 -1.7 51 52 A K H X S+ 0 0 58 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.922 112.6 43.2 -62.8 -41.5 16.5 13.7 -0.2 52 53 A I H X S+ 0 0 4 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.933 113.8 50.0 -68.0 -45.6 15.6 17.2 0.9 53 54 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.913 110.4 50.5 -60.1 -44.4 16.7 18.8 -2.3 54 55 A R H X S+ 0 0 153 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.916 111.7 47.4 -62.5 -42.4 14.7 16.4 -4.4 55 56 A Y H X S+ 0 0 46 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.935 113.3 47.9 -61.6 -47.8 11.6 17.0 -2.4 56 57 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.941 113.4 46.9 -62.4 -46.3 11.9 20.7 -2.6 57 58 A R H X S+ 0 0 22 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.936 113.2 48.6 -61.1 -47.6 12.6 20.8 -6.3 58 59 A D H X S+ 0 0 96 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.906 111.1 50.7 -60.7 -39.5 9.7 18.4 -7.0 59 60 A Y H X>S+ 0 0 44 -4,-2.6 4,-3.3 1,-0.2 5,-0.6 0.931 110.4 49.6 -62.5 -48.4 7.3 20.5 -4.9 60 61 A F H X5S+ 0 0 19 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.904 111.8 47.2 -59.7 -43.7 8.4 23.7 -6.7 61 62 A I H <5S+ 0 0 95 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.914 120.9 38.2 -64.8 -39.3 7.8 22.2 -10.1 62 63 A K H <5S+ 0 0 138 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.899 130.4 24.8 -73.0 -50.0 4.4 20.8 -9.1 63 64 A Y H <5S- 0 0 152 -4,-3.3 -3,-0.2 2,-0.3 -2,-0.2 0.543 98.4-125.1-104.3 -11.7 3.0 23.5 -7.0 64 65 A G S <> - 0 0 26 0, 0.0 4,-1.6 0, 0.0 3,-1.0 -0.332 33.2-109.0 -66.0 157.4 6.8 25.9 3.8 69 70 A V H 3> S+ 0 0 20 45,-2.2 4,-2.8 1,-0.3 5,-0.2 0.870 118.5 66.8 -55.4 -37.9 9.3 24.7 6.4 70 71 A R H 3> S+ 0 0 155 44,-0.6 4,-2.2 1,-0.2 -1,-0.3 0.875 102.9 45.2 -47.7 -47.9 6.5 22.7 8.0 71 72 A M H <> S+ 0 0 39 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.873 109.9 53.6 -71.9 -38.4 6.3 20.5 4.8 72 73 A L H X S+ 0 0 5 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.933 110.9 46.8 -58.7 -44.9 10.1 20.1 4.7 73 74 A V H X S+ 0 0 34 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.926 108.0 56.3 -62.5 -43.7 10.1 18.9 8.3 74 75 A K H X S+ 0 0 103 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.918 112.9 42.1 -56.2 -42.1 7.2 16.6 7.6 75 76 A H H X S+ 0 0 46 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.903 110.1 55.1 -69.6 -44.5 9.3 15.0 4.7 76 77 A a H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-1.8 0.849 105.1 55.9 -59.5 -33.4 12.6 14.9 6.7 77 78 A K H <5S+ 0 0 103 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.873 116.2 34.6 -67.1 -38.5 10.7 12.9 9.5 78 79 A K H <5S+ 0 0 163 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.814 131.4 26.8 -82.8 -36.2 9.6 10.2 7.1 79 80 A E H <5S+ 0 0 103 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.634 129.9 28.8-109.3 -16.6 12.5 10.0 4.7 80 81 A V T <5S- 0 0 23 -4,-1.8 -3,-0.2 -5,-0.4 -4,-0.1 0.820 125.5 -33.1-108.3 -65.1 15.6 11.2 6.7 81 82 A R > < - 0 0 93 -5,-2.4 3,-2.1 1,-0.1 -1,-0.2 -0.941 47.3-125.5-160.9 142.8 15.2 10.4 10.4 82 83 A P T 3 S+ 0 0 113 0, 0.0 -5,-0.1 0, 0.0 -4,-0.1 0.778 110.8 54.3 -67.2 -22.7 12.0 10.4 12.7 83 84 A D T 3 S+ 0 0 88 -7,-0.1 5,-0.2 -3,-0.0 -6,-0.1 0.250 79.1 142.0 -90.5 12.0 13.5 12.8 15.1 84 85 A a < + 0 0 8 -3,-2.1 2,-0.2 -8,-0.2 -7,-0.1 -0.170 20.8 155.8 -57.0 145.5 14.2 15.3 12.4 85 86 A N > - 0 0 64 -9,-0.1 4,-2.1 1,-0.0 5,-0.1 -0.835 59.0 -76.0-156.1-175.3 13.7 18.9 13.5 86 87 A L H > S+ 0 0 87 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.886 125.9 57.4 -66.7 -36.1 14.7 22.4 12.7 87 88 A Q H > S+ 0 0 155 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 108.4 46.8 -54.9 -44.6 18.1 21.9 14.4 88 89 A Y H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.905 108.9 53.7 -68.1 -40.2 18.8 19.0 12.1 89 90 A I H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.919 110.8 47.5 -58.8 -40.6 17.7 20.9 9.0 90 91 A Y H < S+ 0 0 107 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.786 106.4 57.2 -72.8 -26.2 20.2 23.7 10.0 91 92 A K H < S+ 0 0 142 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.937 115.5 38.0 -64.4 -44.1 22.9 21.1 10.6 92 93 A L H < S+ 0 0 10 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.914 132.6 26.8 -68.4 -43.1 22.4 20.0 7.0 93 94 A F S >< S- 0 0 0 -4,-2.5 3,-2.4 -5,-0.2 -1,-0.3 -0.867 75.0-167.2-126.5 88.3 21.8 23.5 5.5 94 95 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.718 86.5 47.4 -64.1 -27.1 23.6 26.0 7.8 95 96 A Q T 3> S- 0 0 66 1,-0.3 4,-0.5 -54,-0.1 3,-0.2 0.420 121.5-105.4 -89.1 2.6 22.0 29.1 6.5 96 97 A G H <>> - 0 0 0 -3,-2.4 4,-2.2 -6,-0.2 5,-1.4 -0.234 37.6 -62.8 101.4 172.0 18.6 27.5 6.7 97 98 A P H 4>S+ 0 0 5 0, 0.0 5,-2.4 0, 0.0 6,-0.2 0.836 129.1 43.5 -66.6 -31.8 16.1 25.9 4.4 98 99 A A H 4>S+ 0 0 29 3,-0.2 5,-0.6 -3,-0.2 -2,-0.1 0.965 120.5 35.7 -74.8 -57.8 15.4 29.2 2.5 99 100 A K H <5S+ 0 0 57 -4,-0.5 -3,-0.1 3,-0.1 -1,-0.1 0.820 135.9 17.8 -72.0 -33.2 18.9 30.6 2.0 100 101 A D T X5S+ 0 0 0 -4,-2.2 4,-2.9 -7,-0.2 5,-0.2 0.848 126.1 41.5-103.4 -59.4 20.6 27.2 1.5 101 102 A A H >4 + 0 0 42 0, 0.0 3,-2.4 0, 0.0 -8,-0.1 0.314 55.9 147.9 -87.6 8.8 13.0 31.5 -1.4 111 112 A T T 3 + 0 0 101 1,-0.3 -45,-0.9 -13,-0.0 -2,-0.1 -0.145 67.7 13.9 -52.7 129.2 9.5 33.0 -1.3 112 113 A G T 3 S+ 0 0 31 1,-0.2 2,-1.7 -47,-0.1 -1,-0.3 0.255 85.5 122.1 91.4 -14.3 7.2 30.9 0.8 113 114 A C < 0 0 9 -3,-2.4 -1,-0.2 -45,-0.2 -15,-0.1 -0.674 360.0 360.0 -87.9 84.4 9.9 28.8 2.6 114 115 A V 0 0 147 -2,-1.7 -45,-2.2 -48,-0.1 -44,-0.6 -0.901 360.0 360.0-138.3 360.0 8.8 29.9 6.0